A0A077Z6B6_TRITR Loading...

Spliced leader 175 kDa protein

AlphaFold DB , UniProt , Accession A0A077Z6B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 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
1M34.6Very low41.6Very low227 Ų227132.9 Ų132.9100%1.11877%0.767SS**  071.10-55.9-177.1-171.700106
2E30.4Very low45.2Very low169 Ų169122.5 Ų122.579%0.7971%0.708SS**  49.697.466.7-63.7175.4124.400110.5
3F34.7Very low48.8Very low218 Ų218115.8 Ų115.896%0.95667%0.666SS**  -137.3127.990.7-96.6-84.2000109.4
4S30.7Very low52Low101 Ų101107.7 Ų107.771%0.70662%0.619SS**  trans-109.1175.2173.9-60.10000109.4
5V33.4Very low54.8Low124 Ų124105.3 Ų105.375%0.75260%0.596SS**  trans81.1113.7166-170.90000115.2
6A34.3Very low57.2Low99 Ų9998.8 Ų98.882%0.81856%0.559SS**  trans-71147.4165.800000110.7
7Q38Very low59.1Low178 Ų17893.2 Ų93.283%0.83253%0.529SS*.  trans-136.8141.1167.5-70.4-170.8-20.600109.7G9Q7-G9 PolarHBondContact O-N 2.83Å
8N44.2Very low60.8Low162 Ų16291.3 Ų91.387%0.86652%0.521SS*.  trans-46.5129.4170.7-63.9-25.3000109.1A10N8-A10 PolarHBondContact O-N 2.98Å
9G52.1Low62.3Low69 Ų6986.6 Ų86.671%0.71149%0.493SS*.  trans-54118178.900000109Q7 S11Q7-G9 PolarHBondContact O-N 2.83Å; G9-S11 PolarHBondContact O-N 3.21Å
10A58Low63.4Low67 Ų6784.9 Ų84.955%0.55449%0.487SS*.  trans-58.4106.3-174.100000109.2N8 V68N8-A10 PolarHBondContact O-N 2.98Å; A10-V68 HydrophobicContact CB-CG2 4.3Å; A10-V68 WeakPolarHBondContact O-CG2 3.48Å
11S67.3Low64.1Low48 Ų4885 Ų8534%0.33648%0.482SS..  trans-59163.2166.826.20000108.8G9 V96G9-S11 PolarHBondContact O-N 3.21Å; S11-V96 WeakPolarHBondContact O-CG2 3.49Å; S11-V96 WeakPolarHBondContact OG-CG2 3.33Å
12C85.1Confident66Low8 Ų877.5 Ų77.55%0.05445%0.451CS..EExtended strand (participates in β ladder)trans-137.2136.1169.8-174.10000107.7F65 V68 A71 Q93C12-F65 PolarHBondContact N-O 2.99Å; C12-F65 WeakPolarHBondContact O-CD2 3.33Å; C12-F65 PolarHBondContact O-N 2.98Å; C12-V68 HydrophobicContact CB-CG2 4.36Å; C12-A71 HydrophobicContact CB-CB 3.57Å; C12-Q93 VanDerWaalsContact SG-CG 3.57Å; C12-Q93 PolarHBondContact SG-NE2 2.97Å
13H91.6Very high67.8Low36 Ų3675.6 Ų75.617%0.16745%0.445CS..EExtended strand (participates in β ladder)trans-105.9139.4176.1-57.9-75.2000109.5V62 A63 S64 I94H13-V62 HydrophobicContact CB-CG1 4.44Å; H13-A63 CarbonylContact C-O 3.53Å; H13-A63 VanDerWaalsContact CA-O 3.29Å; H13-A63 WeakPolarHBondContact CA-O 2.99Å; H13-S64 PolarHBondContact CE1-OG 2.96Å; H13-S64 VanDerWaalsContact CE1-OG 3.25Å; H13-S64 WeakPolarHBondContact ND1-CB 3.17Å; H13-S64 PolarHBondContact ND1-OG 3.46Å; H13-I94 HydrophobicContact CB-CB 4.17Å; H13-I94 PolarHBondContact N-O 3.22Å; H13-I94 PolarHBondContact O-N 2.81Å
14I93.9Very high69.4Low2 Ų266.1 Ų66.11%0.0141%0.405CS..EExtended strand (participates in β ladder)trans-115.4128168.6-57.6178.4000107.2V62 A63 F65 A71 C74 F75 L91I14-V62 WeakPolarHBondContact O-CA 3.49Å; I14-A63 PolarHBondContact N-O 3.34Å; I14-A63 PolarHBondContact O-N 2.87Å; I14-F65 HydrophobicContact CB-CE2 3.97Å; I14-F65 HydrophobicContact CD1-CD2 4.13Å; I14-F65 HydrophobicContact CD1-CE2 3.39Å; I14-F65 HydrophobicContact CD1-CZ 3.73Å; I14-F65 HydrophobicContact CG1-CD2 4.1Å; I14-F65 HydrophobicContact CG1-CE2 3.56Å; I14-F65 HydrophobicContact CG1-CZ 4.39Å; I14-A71 HydrophobicContact CD1-CB 4.26Å; I14-A71 WeakPolarHBondContact CD1-O 3.37Å; I14-A71 HydrophobicContact CG1-CB 4.45Å; I14-C74 HydrophobicContact CD1-CB 4.33Å; I14-F75 HydrophobicContact CD1-CB 3.99Å; I14-F75 HydrophobicContact CD1-CD2 4.44Å; I14-F75 HydrophobicContact CG2-CD2 4.28Å; I14-L91 HydrophobicContact CG2-CD1 3.48Å; I14-L91 VanDerWaalsContact CG2-CD1 3.48Å; I14-L91 HydrophobicContact CG2-CG 4.08Å
15R93.3Very high71Confident72 Ų7265.1 Ų65.127%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-108.8126.8173.9-179.8-178.9-177.7-173.15.2109.5F60 I61 V62 E92 I94R15-F60 HydrophobicContact CG-CB 4.31Å; R15-F60 HydrophobicContact CG-CD1 4.2Å; R15-F60 VanDerWaalsContact NE-CD1 3.27Å; R15-F60 VanDerWaalsContact NH2-CE2 3.32Å; R15-I61 CarbonylContact C-O 3.48Å; R15-I61 WeakPolarHBondContact CA-O 3.29Å; R15-V62 HydrophobicContact CB-CG2 4.46Å; R15-V62 HydrophobicContact CG-CG2 4.25Å; R15-E92 HydrophobicContact CB-CB 4.4Å; R15-E92 PolarHBondContact N-O 2.91Å; R15-E92 IonicContact NH1-OE2 2.75Å; R15-E92 PolarHBondContact O-N 3.38Å; R15-I94 HydrophobicContact CB-CD1 3.68Å; R15-I94 HydrophobicContact CB-CG1 4.33Å; R15-I94 HydrophobicContact CG-CD1 4.4Å
16L93.2Very high72.6Confident1 Ų163.1 Ų63.11%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-114.6125174.9175.272000109.4L19 V31 F60 I61 I78 I82 W89 K90 L91L16-L19 HydrophobicContact CD2-CD2 4.28Å; L16-L19 HydrophobicContact CG-CD2 4.18Å; L16-V31 HydrophobicContact CD2-CG1 3.46Å; L16-V31 VanDerWaalsContact CD2-CG1 3.46Å; L16-F60 CarbonylContact O-C 3.58Å; L16-F60 VanDerWaalsContact O-CA 3.26Å; L16-F60 WeakPolarHBondContact O-CA 3.48Å; L16-I61 HydrophobicContact CB-CB 4.4Å; L16-I61 HydrophobicContact CD2-CD1 4.44Å; L16-I61 PolarHBondContact N-O 3.13Å; L16-I61 PolarHBondContact O-N 3.08Å; L16-I78 HydrophobicContact CD1-CG2 4.36Å; L16-I82 HydrophobicContact CD1-CD1 3.8Å; L16-I82 HydrophobicContact CD1-CG1 4.44Å; L16-W89 HydrophobicContact CD1-CB 4.07Å; L16-K90 WeakPolarHBondContact CA-O 3.18Å; L16-L91 HydrophobicContact CB-CD1 4.16Å; L16-L91 HydrophobicContact CD1-CD1 3.96Å
17G90.6Very high74.4Confident4 Ų460 Ų604%0.04136%0.359CS..EExtended strand (participates in β ladder)trans159.5-169.2169.100000113.5K90G17-K90 PolarHBondContact N-O 3.16Å; G17-K90 WeakPolarHBondContact O-CA 3.31Å; G17-K90 VanDerWaalsContact O-CB 3.22Å; G17-K90 WeakPolarHBondContact O-CB 3.34Å; G17-K90 PolarHBondContact O-N 2.85Å; G17-K90 VanDerWaalsContact O-O 3.08Å
18P88.8Confident76.2Confident59 Ų5952.5 Ų52.538%0.38332%0.324SS..EExtended strand (participates in β ladder)cis-65.4141.4-2.929.4-35.2000111.8G59 F60P18-G59 CarbonylContact C-O 3.58Å; P18-G59 WeakPolarHBondContact CA-O 3.5Å; P18-F60 HydrophobicContact CB-CE1 4.22Å; P18-F60 HydrophobicContact CB-CZ 4.32Å
19L89.1Confident77.8Confident1 Ų147.9 Ų47.91%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-106129.9175.2-61.1172.8000109.3L16 D24 L28 F46 S58 G59 I61 W89L16-L19 HydrophobicContact CD2-CD2 4.28Å; L16-L19 HydrophobicContact CG-CD2 4.18Å; L19-D24 WeakPolarHBondContact CA-OD2 3.43Å; L19-L28 HydrophobicContact CD1-CD1 3.79Å; L19-L28 HydrophobicContact CD2-CD1 4.02Å; L19-L28 HydrophobicContact CG-CD1 4.5Å; L19-F46 HydrophobicContact CB-CE1 4.23Å; L19-S58 CarbonylContact O-C 3.57Å; L19-S58 VanDerWaalsContact O-CA 3.23Å; L19-S58 WeakPolarHBondContact O-CA 3.47Å; L19-G59 PolarHBondContact N-O 2.87Å; L19-G59 PolarHBondContact O-N 2.85Å; L19-I61 HydrophobicContact CD1-CB 4.4Å; L19-I61 HydrophobicContact CD1-CD1 3.73Å; L19-I61 HydrophobicContact CD1-CG1 3.62Å; L19-W89 HydrophobicContact CD2-CD2 4.01Å; L19-W89 VanDerWaalsContact CD2-CE2 3.5Å; L19-W89 HydrophobicContact CD2-CG 4.18Å; L19-W89 HydrophobicContact CD2-CZ2 3.78Å
20S84Confident79.3Confident53 Ų5348.6 Ų48.637%0.37129%0.29SS..EExtended strand (participates in β ladder)trans-111.998.7-173.3-56.30000112.2L23 D24S20-L23 PolarHBondContact O-N 2.87Å; S20-L23 VanDerWaalsContact O-N 3.13Å; S20-D24 PolarHBondContact N-OD2 3.21Å; S20-D24 WeakPolarHBondContact O-CB 3.39Å; S20-D24 PolarHBondContact O-N 3.03Å
21F79.1Confident80.6Confident87 Ų8745.5 Ų45.538%0.38227%0.265SS..EExtended strand (participates in β ladder)trans-76.4138.7175.4-173.3-78.6000110.7L25 F46 E56 K57F21-L25 HydrophobicContact CD2-CD1 4.05Å; F21-L25 HydrophobicContact CD2-CD2 3.83Å; F21-L25 HydrophobicContact CD2-CG 3.97Å; F21-L25 HydrophobicContact CE2-CD1 3.59Å; F21-L25 HydrophobicContact CE2-CD2 3.74Å; F21-L25 HydrophobicContact CE2-CG 3.94Å; F21-L25 HydrophobicContact CZ-CD1 3.96Å; F21-F46 HydrophobicContact CB-CE1 4.45Å; F21-E56 WeakPolarHBondContact O-CA 2.93Å; F21-K57 HydrophobicContact CB-CB 4.29Å; F21-K57 PolarHBondContact N-O 2.89Å; F21-K57 PolarHBondContact O-N 2.83Å
22P73.5Confident81.4Confident70 Ų7044.4 Ų44.446%0.45526%0.259SS..THydrogen-bonded Turncis-91-8.12.835.7-36.2000114.5D24 L25P22-D24 PolarHBondContact O-N 3.31Å; P22-D24 VanDerWaalsContact O-N 3.1Å; P22-L25 HydrophobicContact CB-CD1 4.11Å; P22-L25 WeakPolarHBondContact O-CB 3.31Å; P22-L25 WeakPolarHBondContact O-CG 3.48Å; P22-L25 PolarHBondContact O-N 3.12Å
23L68.3Low81.4Confident129 Ų12949 Ų4968%0.67528%0.281SS*.G310 helixtrans-52.9-36.3-175.2-72.2165.1000112.4S20 L25 R87S20-L23 PolarHBondContact O-N 2.87Å; S20-L23 VanDerWaalsContact O-N 3.13Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.76Å; L23-R87 PolarHBondContact O-NH2 3.44Å
24D68.6Low81.1Confident19 Ų1948.8 Ų48.810%0.10228%0.28CS..G310 helixtrans-81.6-3.4-173.1-84.5-14.4000116L19 S20 P22 A26 L28 R87 W89L19-D24 WeakPolarHBondContact CA-OD2 3.43Å; S20-D24 PolarHBondContact N-OD2 3.21Å; S20-D24 WeakPolarHBondContact O-CB 3.39Å; S20-D24 PolarHBondContact O-N 3.03Å; P22-D24 PolarHBondContact O-N 3.31Å; P22-D24 VanDerWaalsContact O-N 3.1Å; D24-A26 VanDerWaalsContact C-N 3.33Å; D24-A26 PolarHBondContact O-N 2.86Å; D24-A26 VanDerWaalsContact O-N 3.15Å; D24-L28 WeakPolarHBondContact O-CB 3.22Å; D24-R87 VanDerWaalsContact C-NH1 3.29Å; D24-R87 PolarHBondContact O-NH1 3.1Å; D24-R87 IonicContact OD1-CZ 2.78Å; D24-R87 VanDerWaalsContact OD1-CZ 3.29Å; D24-R87 IonicContact OD1-NE 3.29Å; D24-R87 IonicContact OD1-NH1 3.61Å; D24-R87 PolarHBondContact OD1-NH1 3.19Å; D24-R87 VanDerWaalsContact OD1-NH1 3.15Å; D24-R87 IonicContact OD1-NH2 3.83Å; D24-W89 HydrophobicContact CB-CZ2 3.93Å; D24-W89 VanDerWaalsContact CG-NE1 3.26Å; D24-W89 PolarHBondContact OD1-NE1 3.03Å; D24-W89 PolarHBondContact OD2-NE1 3.41Å
25L64.6Low80.9Confident80 Ų8048.7 Ų48.742%0.41928%0.279SS..G310 helixtrans-66.2-16.4-171.7-75.4173.7000117.5F21 P22 L23 L28 P29F21-L25 HydrophobicContact CD2-CD1 4.05Å; F21-L25 HydrophobicContact CD2-CD2 3.83Å; F21-L25 HydrophobicContact CD2-CG 3.97Å; F21-L25 HydrophobicContact CE2-CD1 3.59Å; F21-L25 HydrophobicContact CE2-CD2 3.74Å; F21-L25 HydrophobicContact CE2-CG 3.94Å; F21-L25 HydrophobicContact CZ-CD1 3.96Å; P22-L25 HydrophobicContact CB-CD1 4.11Å; P22-L25 WeakPolarHBondContact O-CB 3.31Å; P22-L25 WeakPolarHBondContact O-CG 3.48Å; P22-L25 PolarHBondContact O-N 3.12Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.76Å; L25-L28 HydrophobicContact CD2-CD2 4.41Å; L25-P29 WeakPolarHBondContact O-CD 3.35Å
26A67.8Low80.6Confident81 Ų8148.4 Ų48.467%0.66929%0.292SS*.THydrogen-bonded Turntrans-70-57.4-171.600000114.2D24 P29D24-A26 VanDerWaalsContact C-N 3.33Å; D24-A26 PolarHBondContact O-N 2.86Å; D24-A26 VanDerWaalsContact O-N 3.15Å; A26-P29 WeakPolarHBondContact O-CD 3.44Å
27P72.3Confident80.4Confident34 Ų3453.1 Ų53.122%0.22131%0.314CS..THydrogen-bonded Turntrans-89.2-2.3172.732.9-35.5000114.3D30 V31 W89P27-D30 PolarHBondContact O-N 2.81Å; P27-V31 PolarHBondContact O-N 2.87Å; P27-W89 HydrophobicContact CB-CH2 4.36Å; P27-W89 HydrophobicContact CG-CH2 3.72Å; P27-W89 HydrophobicContact CG-CZ2 4.45Å; P27-W89 HydrophobicContact CG-CZ3 4.22Å
28L75.7Confident80.3Confident20 Ų2054.3 Ų54.311%0.10532%0.324CS..Hα-helixtrans-61.8-38.4178.6-169.466.7000113.4L19 D24 L25 D30 V31 A32 I61 W89L19-L28 HydrophobicContact CD1-CD1 3.79Å; L19-L28 HydrophobicContact CD2-CD1 4.02Å; L19-L28 HydrophobicContact CG-CD1 4.5Å; D24-L28 WeakPolarHBondContact O-CB 3.22Å; L25-L28 HydrophobicContact CD2-CD2 4.41Å; L28-D30 PolarHBondContact O-N 3.29Å; L28-V31 PolarHBondContact O-N 2.83Å; L28-A32 WeakPolarHBondContact O-CB 3.38Å; L28-A32 PolarHBondContact O-N 3.18Å; L28-I61 HydrophobicContact CD1-CD1 3.78Å; L28-W89 HydrophobicContact CD1-CH2 4.38Å
29P77.2Confident80.3Confident66 Ų6652.3 Ų52.343%0.42931%0.312SS..Hα-helixtrans-55.7-46.3173.2-28.235.6000112.8L25 A26 A32 M33L25-P29 WeakPolarHBondContact O-CD 3.35Å; A26-P29 WeakPolarHBondContact O-CD 3.44Å; P29-A32 PolarHBondContact O-N 3.4Å; P29-M33 VanDerWaalsContact O-CB 3.3Å; P29-M33 WeakPolarHBondContact O-CB 3.35Å; P29-M33 VanDerWaalsContact O-CG 3.24Å; P29-M33 WeakPolarHBondContact O-CG 3.18Å; P29-M33 PolarHBondContact O-N 3.25Å
30D83.3Confident80.3Confident83 Ų8359.6 Ų59.644%0.44434%0.344SS..Hα-helixtrans-64.8-46-177.2-56.8-32.4000111.3P27 L28 M33 E34 M81P27-D30 PolarHBondContact O-N 2.81Å; L28-D30 PolarHBondContact O-N 3.29Å; D30-M33 PolarHBondContact O-N 2.89Å; D30-E34 PolarHBondContact O-N 2.91Å; D30-M81 HydrophobicContact CB-CE 3.63Å
31V85.3Confident80.4Confident2 Ų262.1 Ų62.11%0.01235%0.352CS..Hα-helixtrans-69-38.4178178.90000111.8L16 P27 L28 L35 I78 M81 W89L16-V31 HydrophobicContact CD2-CG1 3.46Å; L16-V31 VanDerWaalsContact CD2-CG1 3.46Å; P27-V31 PolarHBondContact O-N 2.87Å; L28-V31 PolarHBondContact O-N 2.83Å; V31-L35 HydrophobicContact CG1-CD1 4.39Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.15Å; V31-I78 HydrophobicContact CG1-CD1 4.44Å; V31-I78 HydrophobicContact CG1-CG1 4.21Å; V31-I78 HydrophobicContact CG1-CG2 3.77Å; V31-M81 HydrophobicContact CG2-CB 4.35Å; V31-M81 HydrophobicContact CG2-CE 3.66Å; V31-M81 HydrophobicContact CG2-SD 4.12Å; V31-W89 HydrophobicContact CG2-CZ3 4.07Å
32A83.3Confident80.9Confident26 Ų2660.6 Ų60.622%0.21535%0.347CS..Hα-helixtrans-68.4-35.817600000112L28 P29 A36 I61L28-A32 WeakPolarHBondContact O-CB 3.38Å; L28-A32 PolarHBondContact O-N 3.18Å; P29-A32 PolarHBondContact O-N 3.4Å; A32-A36 WeakPolarHBondContact O-CB 3.4Å; A32-A36 PolarHBondContact O-N 2.89Å; A32-I61 HydrophobicContact CB-CD1 4.44Å
33M86Confident81.6Confident104 Ų10459.7 Ų59.751%0.51234%0.343SS..Hα-helixtrans-66.6-46.8173.3-77.7-167.5-53.100112P29 D30 L35 A36 Q37P29-M33 VanDerWaalsContact O-CB 3.3Å; P29-M33 WeakPolarHBondContact O-CB 3.35Å; P29-M33 VanDerWaalsContact O-CG 3.24Å; P29-M33 WeakPolarHBondContact O-CG 3.18Å; P29-M33 PolarHBondContact O-N 3.25Å; D30-M33 PolarHBondContact O-N 2.89Å; M33-L35 VanDerWaalsContact C-N 3.29Å; M33-L35 PolarHBondContact O-N 3.07Å; M33-A36 PolarHBondContact O-N 3.46Å; M33-Q37 WeakPolarHBondContact O-CG 3.42Å; M33-Q37 PolarHBondContact O-N 3.39Å
34E86.1Confident82.5Confident31 Ų3157.7 Ų57.715%0.14533%0.332CS..Hα-helixtrans-60.6-39.1175.9-88-66.8140.400112D30 I77 M81 G348D30-E34 PolarHBondContact O-N 2.91Å; E34-I77 HydrophobicContact CG-CG2 4.34Å; E34-M81 HydrophobicContact CG-SD 4.36Å; E34-G348 VanDerWaalsContact OE1-CA 3.31Å; E34-G348 WeakPolarHBondContact OE1-CA 3.28Å
35L88.9Confident83.4Confident1 Ų159.4 Ų59.41%0.00534%0.343CS..Hα-helixtrans-62.8-48169.4-72.3174.1000111.3V31 M33 Q37 A38 A39 I42 I61 A63 F65 I78V31-L35 HydrophobicContact CG1-CD1 4.39Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.15Å; M33-L35 VanDerWaalsContact C-N 3.29Å; M33-L35 PolarHBondContact O-N 3.07Å; L35-Q37 VanDerWaalsContact C-N 3.33Å; L35-Q37 PolarHBondContact O-N 3.48Å; L35-A38 PolarHBondContact O-N 3.25Å; L35-A38 VanDerWaalsContact O-N 3.16Å; L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.28Å; L35-A39 PolarHBondContact O-N 3.34Å; L35-I42 VanDerWaalsContact C-CD1 3.44Å; L35-I42 HydrophobicContact CB-CD1 3.65Å; L35-I61 HydrophobicContact CD1-CB 4.47Å; L35-I61 HydrophobicContact CD1-CG2 3.65Å; L35-A63 HydrophobicContact CB-CB 4.39Å; L35-A63 HydrophobicContact CD1-CB 4.37Å; L35-A63 HydrophobicContact CD2-CB 3.65Å; L35-A63 HydrophobicContact CG-CB 4.37Å; L35-F65 HydrophobicContact CD2-CE2 4.45Å; L35-F65 HydrophobicContact CD2-CZ 3.83Å; L35-I78 HydrophobicContact CD1-CD1 4.26Å; L35-I78 HydrophobicContact CD2-CD1 3.23Å; L35-I78 HydrophobicContact CG-CD1 3.55Å
36A86.2Confident84.4Confident65 Ų6559.2 Ų59.254%0.53734%0.339SS..Hα-helixtrans-66.6-29.7-174.100000113.9A32 M33 A38 I42A32-A36 WeakPolarHBondContact O-CB 3.4Å; A32-A36 PolarHBondContact O-N 2.89Å; M33-A36 PolarHBondContact O-N 3.46Å; A36-A38 VanDerWaalsContact C-N 3.31Å; A36-I42 HydrophobicContact CB-CD1 3.92Å; A36-I42 VanDerWaalsContact N-CD1 3.33Å
37Q89Confident85.2Confident100 Ų10062.5 Ų62.547%0.46734%0.338SS..Hα-helixtrans-71.3-25.1174.8-72.1-174.53900113.3M33 L35 G348M33-Q37 WeakPolarHBondContact O-CG 3.42Å; M33-Q37 PolarHBondContact O-N 3.39Å; L35-Q37 VanDerWaalsContact C-N 3.33Å; L35-Q37 PolarHBondContact O-N 3.48Å; Q37-G348 PolarHBondContact NE2-O 3.05Å; Q37-G348 PolarHBondContact OE1-O 3.29Å
38A89Confident85.8Confident30 Ų3066.4 Ų66.425%0.24836%0.357CS..Hα-helixtrans-120.6-22.4-166.400000115.2L35 A36 F65 T70 C74L35-A38 PolarHBondContact O-N 3.25Å; L35-A38 VanDerWaalsContact O-N 3.16Å; A36-A38 VanDerWaalsContact C-N 3.31Å; A38-F65 HydrophobicContact CB-CE1 3.92Å; A38-F65 VanDerWaalsContact O-CD1 3.28Å; A38-F65 WeakPolarHBondContact O-CD1 3.27Å; A38-T70 HydrophobicContact CB-CG2 4.06Å; A38-C74 WeakPolarHBondContact CB-SG 3.34Å
39A89.7Confident86.1Confident17 Ų1768.2 Ų68.214%0.1437%0.369CS..  trans-85.414417500000111.2L35 I42 A63 S64 F65L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.28Å; L35-A39 PolarHBondContact O-N 3.34Å; A39-I42 HydrophobicContact CB-CD1 4.26Å; A39-I42 HydrophobicContact CB-CG1 3.84Å; A39-A63 HydrophobicContact CB-CB 3.88Å; A39-S64 CarbonylContact C-O 3.55Å; A39-F65 HydrophobicContact CB-CD1 4.24Å; A39-F65 HydrophobicContact CB-CE1 3.93Å; A39-F65 HydrophobicContact CB-CE2 4.3Å; A39-F65 HydrophobicContact CB-CZ 3.96Å
40K87.6Confident86.4Confident154 Ų15473 Ų7367%0.6739%0.391SS*.SBendtrans-72-34.6172.4-174.1-177.1176.2-176.50111.2S64K40-S64 PolarHBondContact N-O 2.8Å
41I87.3Confident86.3Confident106 Ų10673.1 Ų73.154%0.54441%0.412SS..EExtended strand (participates in β ladder)trans-142.3136.8-177.6-54.2176.3000108.5S64I41-S64 PolarHBondContact N-O 2.9Å; I41-S64 PolarHBondContact O-N 2.79Å
42I89.6Confident85.9Confident55 Ų5574.3 Ų74.328%0.28243%0.425SS..EExtended strand (participates in β ladder)trans-123.8132.1169.8-62.2-177.2000109.3L35 A36 A39 I44 I61 V62 A63L35-I42 VanDerWaalsContact C-CD1 3.44Å; L35-I42 HydrophobicContact CB-CD1 3.65Å; A36-I42 HydrophobicContact CB-CD1 3.92Å; A36-I42 VanDerWaalsContact N-CD1 3.33Å; A39-I42 HydrophobicContact CB-CD1 4.26Å; A39-I42 HydrophobicContact CB-CG1 3.84Å; I42-I44 HydrophobicContact CG2-CD1 4.45Å; I42-I44 HydrophobicContact CG2-CG1 3.88Å; I42-I61 HydrophobicContact CG2-CG2 3.73Å; I42-V62 WeakPolarHBondContact CA-O 3.5Å; I42-A63 HydrophobicContact CG1-CB 4.12Å
43S86.8Confident85.6Confident51 Ų5180.7 Ų80.736%0.35745%0.447SS..EExtended strand (participates in β ladder)trans-111.6133.6165.7-178.80000109.1I61 V62S43-I61 WeakPolarHBondContact O-CA 3.21Å; S43-V62 PolarHBondContact N-O 3.49Å; S43-V62 PolarHBondContact O-N 3.39Å
44I88.8Confident85.2Confident87 Ų8785.7 Ų85.745%0.44647%0.469SS..EExtended strand (participates in β ladder)trans-117.8108.6174.5-48.9-169.4000107.6I42 F46 I61I42-I44 HydrophobicContact CG2-CD1 4.45Å; I42-I44 HydrophobicContact CG2-CG1 3.88Å; I44-F46 HydrophobicContact CG2-CD2 3.84Å; I44-F46 HydrophobicContact CG2-CE2 3.32Å; I44-F46 HydrophobicContact CG2-CZ 3.95Å; I44-I61 HydrophobicContact CB-CG1 4.39Å; I44-I61 HydrophobicContact CD1-CD1 4.3Å; I44-I61 HydrophobicContact CD1-CG1 4.21Å; I44-I61 HydrophobicContact CG1-CG1 4Å; I44-I61 HydrophobicContact CG1-CG2 4.47Å; I44-I61 HydrophobicContact CG2-CG1 3.9Å
45T86Confident84.9Confident54 Ų5486.6 Ų86.633%0.33149%0.487SS..EExtended strand (participates in β ladder)trans-108.6112.3-177.6-610000109.8G59 F60T45-G59 CarbonylContact O-C 3.58Å; T45-G59 WeakPolarHBondContact O-CA 3.46Å; T45-F60 PolarHBondContact N-O 2.8Å; T45-F60 PolarHBondContact O-N 3.42Å
46F86.7Confident84.6Confident76 Ų7689.6 Ų89.633%0.33350%0.501SS..EExtended strand (participates in β ladder)trans-107.7132.7170.4-70.1-75.4000110.9L19 F21 I44 K57L19-F46 HydrophobicContact CB-CE1 4.23Å; F21-F46 HydrophobicContact CB-CE1 4.45Å; I44-F46 HydrophobicContact CG2-CD2 3.84Å; I44-F46 HydrophobicContact CG2-CE2 3.32Å; I44-F46 HydrophobicContact CG2-CZ 3.95Å; F46-K57 HydrophobicContact CB-CB 4.27Å; F46-K57 HydrophobicContact CB-CD 4.39Å; F46-K57 HydrophobicContact CD1-CB 4.44Å
47K84.5Confident84.7Confident150 Ų15090.9 Ų90.965%0.65250%0.495SS*.EExtended strand (participates in β ladder)trans-114.1147.6170.1-64.3-174.2176.9-174.40109.1K57 S58K47-K57 CarbonylContact O-C 3.58Å; K47-K57 WeakPolarHBondContact O-CA 3.26Å; K47-S58 PolarHBondContact N-O 3.09Å; K47-S58 PolarHBondContact O-N 2.81Å
48N84.8Confident84.7Confident116 Ų11688 Ų8862%0.6249%0.486SS*.EExtended strand (participates in β ladder)trans-64.1141.6171.6-64.4-22.3000109D50 K57N48-D50 PolarHBondContact O-N 3.1Å; N48-K57 WeakPolarHBondContact OD1-CE 3.42Å
49V83Confident84.7Confident59 Ų5986.6 Ų86.636%0.35847%0.474SS..  trans-79.7119.7175.8-177.40000108.9G51 G52 E56V49-G51 PolarHBondContact O-N 3.45Å; V49-G51 VanDerWaalsContact O-N 3.09Å; V49-G52 PolarHBondContact O-N 3.44Å; V49-E56 PolarHBondContact N-O 2.63Å
50D82.4Confident84.8Confident166 Ų16688.9 Ų88.989%0.88848%0.481SS*.THydrogen-bonded Turntrans-61.8112.9173.4-72.5-37.7000110N48N48-D50 PolarHBondContact O-N 3.1Å
51G81.9Confident85Confident86 Ų8681.6 Ų81.689%0.88745%0.449SS*.THydrogen-bonded Turntrans833.9-174.400000115.6V49V49-G51 PolarHBondContact O-N 3.45Å; V49-G51 VanDerWaalsContact O-N 3.09Å
52G75.4Confident85.3Confident27 Ų2777.5 Ų77.528%0.27843%0.429SS..  trans-65161.7168.700000112.2V49 E56V49-G52 PolarHBondContact O-N 3.44Å; G52-E56 WeakPolarHBondContact CA-OE2 3.41Å
53K77.7Confident85.5Confident159 Ų15974.9 Ų74.969%0.69142%0.416SS*.  trans-62.9147.1169.7-64.2175-1731600109G55 E56K53-G55 PolarHBondContact O-N 3.21Å; K53-E56 HydrophobicContact CB-CG 4.2Å; K53-E56 PolarHBondContact N-OE2 2.96Å; K53-E56 WeakPolarHBondContact O-CB 3.23Å; K53-E56 PolarHBondContact O-N 2.85Å
54Q78.4Confident85.8Confident209 Ų20973.5 Ų73.598%0.97741%0.406SS*.THydrogen-bonded Turntrans-54.1107.7-177.5-168.3174.813.600111
55G79.4Confident85.9Confident51 Ų5169.5 Ų69.553%0.52639%0.385SS..THydrogen-bonded Turntrans114-13.6-175.500000115.8K53 K57K53-G55 PolarHBondContact O-N 3.21Å; G55-K57 PolarHBondContact O-N 2.97Å
56E83.3Confident86Confident64 Ų6470.7 Ų70.730%0.29940%0.401SS..  trans-72.6120.4175.1-72.1173173.600110.8F21 V49 G52 K53F21-E56 WeakPolarHBondContact O-CA 2.93Å; V49-E56 PolarHBondContact N-O 2.63Å; G52-E56 WeakPolarHBondContact CA-OE2 3.41Å; K53-E56 HydrophobicContact CB-CG 4.2Å; K53-E56 PolarHBondContact N-OE2 2.96Å; K53-E56 WeakPolarHBondContact O-CB 3.23Å; K53-E56 PolarHBondContact O-N 2.85Å
57K87Confident86.1Confident92 Ų9269.1 Ų69.140%0.440%0.399SS..EExtended strand (participates in β ladder)trans-122131177.4-61-174.4178.6-179.10110.2F21 F46 K47 N48 G55F21-K57 HydrophobicContact CB-CB 4.29Å; F21-K57 PolarHBondContact N-O 2.89Å; F21-K57 PolarHBondContact O-N 2.83Å; F46-K57 HydrophobicContact CB-CB 4.27Å; F46-K57 HydrophobicContact CB-CD 4.39Å; F46-K57 HydrophobicContact CD1-CB 4.44Å; K47-K57 CarbonylContact O-C 3.58Å; K47-K57 WeakPolarHBondContact O-CA 3.26Å; N48-K57 WeakPolarHBondContact OD1-CE 3.42Å; G55-K57 PolarHBondContact O-N 2.97Å
58S88.9Confident86.4Confident39 Ų3964.8 Ų64.827%0.27339%0.385SS..EExtended strand (participates in β ladder)trans-102.3133.8172.361.30000110.5L19 K47L19-S58 CarbonylContact O-C 3.57Å; L19-S58 VanDerWaalsContact O-CA 3.23Å; L19-S58 WeakPolarHBondContact O-CA 3.47Å; K47-S58 PolarHBondContact N-O 3.09Å; K47-S58 PolarHBondContact O-N 2.81Å
59G90.8Very high86.8Confident0 Ų066.8 Ų66.80%039%0.391CS..EExtended strand (participates in β ladder)trans-144.9-178.8-177.400000115.4P18 L19 T45P18-G59 CarbonylContact C-O 3.58Å; P18-G59 WeakPolarHBondContact CA-O 3.5Å; L19-G59 PolarHBondContact N-O 2.87Å; L19-G59 PolarHBondContact O-N 2.85Å; T45-G59 CarbonylContact O-C 3.58Å; T45-G59 WeakPolarHBondContact O-CA 3.46Å
60F91.5Very high87.2Confident65 Ų6566.5 Ų66.529%0.28539%0.389SS..EExtended strand (participates in β ladder)trans-135.9143172.5-56.3-87.9000109.1R15 L16 P18 T45R15-F60 HydrophobicContact CG-CB 4.31Å; R15-F60 HydrophobicContact CG-CD1 4.2Å; R15-F60 VanDerWaalsContact NE-CD1 3.27Å; R15-F60 VanDerWaalsContact NH2-CE2 3.32Å; L16-F60 CarbonylContact O-C 3.58Å; L16-F60 VanDerWaalsContact O-CA 3.26Å; L16-F60 WeakPolarHBondContact O-CA 3.48Å; P18-F60 HydrophobicContact CB-CE1 4.22Å; P18-F60 HydrophobicContact CB-CZ 4.32Å; T45-F60 PolarHBondContact N-O 2.8Å; T45-F60 PolarHBondContact O-N 3.42Å
61I91.8Very high87.7Confident2 Ų258.6 Ų58.61%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-95.4130.8162.5-64.9171.4000107.2R15 L16 L19 L28 A32 L35 I42 S43 I44R15-I61 CarbonylContact C-O 3.48Å; R15-I61 WeakPolarHBondContact CA-O 3.29Å; L16-I61 HydrophobicContact CB-CB 4.4Å; L16-I61 HydrophobicContact CD2-CD1 4.44Å; L16-I61 PolarHBondContact N-O 3.13Å; L16-I61 PolarHBondContact O-N 3.08Å; L19-I61 HydrophobicContact CD1-CB 4.4Å; L19-I61 HydrophobicContact CD1-CD1 3.73Å; L19-I61 HydrophobicContact CD1-CG1 3.62Å; L28-I61 HydrophobicContact CD1-CD1 3.78Å; A32-I61 HydrophobicContact CB-CD1 4.44Å; L35-I61 HydrophobicContact CD1-CB 4.47Å; L35-I61 HydrophobicContact CD1-CG2 3.65Å; I42-I61 HydrophobicContact CG2-CG2 3.73Å; S43-I61 WeakPolarHBondContact O-CA 3.21Å; I44-I61 HydrophobicContact CB-CG1 4.39Å; I44-I61 HydrophobicContact CD1-CD1 4.3Å; I44-I61 HydrophobicContact CD1-CG1 4.21Å; I44-I61 HydrophobicContact CG1-CG1 4Å; I44-I61 HydrophobicContact CG1-CG2 4.47Å; I44-I61 HydrophobicContact CG2-CG1 3.9Å
62V92.4Very high88.3Confident19 Ų1957.4 Ų57.412%0.11532%0.32CS..EExtended strand (participates in β ladder)trans-118.8117.2171.9-177.20000108.1H13 I14 R15 I42 S43 L100H13-V62 HydrophobicContact CB-CG1 4.44Å; I14-V62 WeakPolarHBondContact O-CA 3.49Å; R15-V62 HydrophobicContact CB-CG2 4.46Å; R15-V62 HydrophobicContact CG-CG2 4.25Å; I42-V62 WeakPolarHBondContact CA-O 3.5Å; S43-V62 PolarHBondContact N-O 3.49Å; S43-V62 PolarHBondContact O-N 3.39Å; V62-L100 HydrophobicContact CG1-CD1 4.44Å
63A94Very high89.1Confident0 Ų064.3 Ų64.30%034%0.338CS..EExtended strand (participates in β ladder)trans-112.9131.9-178.500000110.4H13 I14 L35 A39 I42 F65H13-A63 CarbonylContact C-O 3.53Å; H13-A63 VanDerWaalsContact CA-O 3.29Å; H13-A63 WeakPolarHBondContact CA-O 2.99Å; I14-A63 PolarHBondContact N-O 3.34Å; I14-A63 PolarHBondContact O-N 2.87Å; L35-A63 HydrophobicContact CB-CB 4.39Å; L35-A63 HydrophobicContact CD1-CB 4.37Å; L35-A63 HydrophobicContact CD2-CB 3.65Å; L35-A63 HydrophobicContact CG-CB 4.37Å; A39-A63 HydrophobicContact CB-CB 3.88Å; I42-A63 HydrophobicContact CG1-CB 4.12Å; A63-F65 HydrophobicContact CB-CE2 3.69Å; A63-F65 HydrophobicContact CB-CZ 4.02Å
64S92.5Very high89.9Confident23 Ų2357 Ų5716%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-112.5120.6-174.5-49.50000110.1H13 A39 K40 I41H13-S64 PolarHBondContact CE1-OG 2.96Å; H13-S64 VanDerWaalsContact CE1-OG 3.25Å; H13-S64 WeakPolarHBondContact ND1-CB 3.17Å; H13-S64 PolarHBondContact ND1-OG 3.46Å; A39-S64 CarbonylContact C-O 3.55Å; K40-S64 PolarHBondContact N-O 2.8Å; I41-S64 PolarHBondContact N-O 2.9Å; I41-S64 PolarHBondContact O-N 2.79Å
65F92.4Very high90.6Very high2 Ų248.8 Ų48.81%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-105.8142.8-173.8-62.8-95.9000111.3C12 I14 L35 A38 A39 A63 S67 T70 A71 C74C12-F65 PolarHBondContact N-O 2.99Å; C12-F65 WeakPolarHBondContact O-CD2 3.33Å; C12-F65 PolarHBondContact O-N 2.98Å; I14-F65 HydrophobicContact CB-CE2 3.97Å; I14-F65 HydrophobicContact CD1-CD2 4.13Å; I14-F65 HydrophobicContact CD1-CE2 3.39Å; I14-F65 HydrophobicContact CD1-CZ 3.73Å; I14-F65 HydrophobicContact CG1-CD2 4.1Å; I14-F65 HydrophobicContact CG1-CE2 3.56Å; I14-F65 HydrophobicContact CG1-CZ 4.39Å; L35-F65 HydrophobicContact CD2-CE2 4.45Å; L35-F65 HydrophobicContact CD2-CZ 3.83Å; A38-F65 HydrophobicContact CB-CE1 3.92Å; A38-F65 VanDerWaalsContact O-CD1 3.28Å; A38-F65 WeakPolarHBondContact O-CD1 3.27Å; A39-F65 HydrophobicContact CB-CD1 4.24Å; A39-F65 HydrophobicContact CB-CE1 3.93Å; A39-F65 HydrophobicContact CB-CE2 4.3Å; A39-F65 HydrophobicContact CB-CZ 3.96Å; A63-F65 HydrophobicContact CB-CE2 3.69Å; A63-F65 HydrophobicContact CB-CZ 4.02Å; F65-S67 PolarHBondContact O-N 2.95Å; F65-T70 HydrophobicContact CD1-CG2 3.9Å; F65-T70 HydrophobicContact CE1-CG2 4.46Å; F65-A71 HydrophobicContact CB-CB 3.87Å; F65-A71 HydrophobicContact CD1-CB 4.41Å; F65-A71 HydrophobicContact CD2-CB 3.77Å; F65-A71 HydrophobicContact CE2-CB 4.48Å; F65-A71 HydrophobicContact CG-CB 3.74Å; F65-C74 HydrophobicContact CE1-CB 3.85Å; F65-C74 HydrophobicContact CZ-CB 3.93Å
66A88.2Confident91.3Very high80 Ų8053.2 Ų53.266%0.66127%0.273SS*.SBendtrans-73.2-14.7175.800000113.6
67S88.8Confident91.8Very high42 Ų4252.9 Ų52.929%0.29427%0.272SS..  trans-141.7138.5177170.90000110.8F65 E69 T70 A71F65-S67 PolarHBondContact O-N 2.95Å; S67-E69 PolarHBondContact O-N 3.19Å; S67-E69 PolarHBondContact OG-N 3.31Å; S67-E69 VanDerWaalsContact OG-N 3.1Å; S67-T70 PolarHBondContact O-N 3.16Å; S67-A71 PolarHBondContact O-N 3.35Å
68V90.6Very high92.1Very high59 Ų5948.5 Ų48.536%0.35825%0.254SS..Hα-helixtrans-59.2-31.8171.5-176.10000111.3A10 C12 N72A10-V68 HydrophobicContact CB-CG2 4.3Å; A10-V68 WeakPolarHBondContact O-CG2 3.48Å; C12-V68 HydrophobicContact CB-CG2 4.36Å; V68-N72 VanDerWaalsContact O-CB 3.31Å; V68-N72 WeakPolarHBondContact O-CB 3.25Å; V68-N72 PolarHBondContact O-N 2.79Å; V68-N72 PolarHBondContact O-ND2 3.17Å
69E91.7Very high92.3Very high158 Ų15851.6 Ų51.674%0.73826%0.264SS*.Hα-helixtrans-67.7-43.4177.2-59.9-172.8159.600111.8S67 N72 R73S67-E69 PolarHBondContact O-N 3.19Å; S67-E69 PolarHBondContact OG-N 3.31Å; S67-E69 VanDerWaalsContact OG-N 3.1Å; E69-N72 PolarHBondContact O-N 3.25Å; E69-R73 PolarHBondContact O-N 2.99Å
70T92Very high92.4Very high53 Ų5354.6 Ų54.633%0.32529%0.288SS..Hα-helixtrans-63.6-46175.4-49.40000110.5A38 F65 S67 N72 R73 C74A38-T70 HydrophobicContact CB-CG2 4.06Å; F65-T70 HydrophobicContact CD1-CG2 3.9Å; F65-T70 HydrophobicContact CE1-CG2 4.46Å; S67-T70 PolarHBondContact O-N 3.16Å; T70-N72 PolarHBondContact O-N 2.96Å; T70-R73 PolarHBondContact O-N 3.42Å; T70-C74 PolarHBondContact O-N 3.32Å; T70-C74 PolarHBondContact O-SG 3.5Å
71A93.6Very high92.3Very high0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-57.2-49.4174.300000111.9C12 I14 F65 S67 R73 C74 F75C12-A71 HydrophobicContact CB-CB 3.57Å; I14-A71 HydrophobicContact CD1-CB 4.26Å; I14-A71 WeakPolarHBondContact CD1-O 3.37Å; I14-A71 HydrophobicContact CG1-CB 4.45Å; F65-A71 HydrophobicContact CB-CB 3.87Å; F65-A71 HydrophobicContact CD1-CB 4.41Å; F65-A71 HydrophobicContact CD2-CB 3.77Å; F65-A71 HydrophobicContact CE2-CB 4.48Å; F65-A71 HydrophobicContact CG-CB 3.74Å; S67-A71 PolarHBondContact O-N 3.35Å; A71-R73 PolarHBondContact O-N 2.81Å; A71-C74 PolarHBondContact O-N 3.45Å; A71-F75 VanDerWaalsContact O-CB 3.29Å; A71-F75 WeakPolarHBondContact O-CB 3.26Å; A71-F75 PolarHBondContact O-N 3.38Å
72N93.6Very high92.2Very high61 Ų6154.8 Ų54.833%0.32629%0.291SS..Hα-helixtrans-61.7-30.1178.4-75.2-23.8000113.3V68 E69 T70 K76 Q93V68-N72 VanDerWaalsContact O-CB 3.31Å; V68-N72 WeakPolarHBondContact O-CB 3.25Å; V68-N72 PolarHBondContact O-N 2.79Å; V68-N72 PolarHBondContact O-ND2 3.17Å; E69-N72 PolarHBondContact O-N 3.25Å; T70-N72 PolarHBondContact O-N 2.96Å; N72-K76 WeakPolarHBondContact O-CG 3.45Å; N72-K76 PolarHBondContact O-N 3.25Å; N72-Q93 PolarHBondContact OD1-NE2 3.33Å
73R92.9Very high92.1Very high172 Ų17258 Ų5865%0.64932%0.319SS*.Hα-helixtrans-72.3-50.2174.6-176.2177.3177.5176.7-2.7111E69 T70 A71 F75 K76 I77E69-R73 PolarHBondContact O-N 2.99Å; T70-R73 PolarHBondContact O-N 3.42Å; A71-R73 PolarHBondContact O-N 2.81Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-F75 PolarHBondContact O-N 2.79Å; R73-K76 PolarHBondContact O-N 3.49Å; R73-I77 HydrophobicContact CG-CD1 4.13Å; R73-I77 WeakPolarHBondContact O-CG1 3.49Å; R73-I77 PolarHBondContact O-N 2.82Å; R73-I77 VanDerWaalsContact O-N 3.16Å
74C93.6Very high91.8Very high6 Ų662.9 Ų62.94%0.04135%0.354CS..Hα-helixtrans-64.6-38.6178.6-65.50000112I14 A38 F65 T70 A71 K76 I77 I78I14-C74 HydrophobicContact CD1-CB 4.33Å; A38-C74 WeakPolarHBondContact CB-SG 3.34Å; F65-C74 HydrophobicContact CE1-CB 3.85Å; F65-C74 HydrophobicContact CZ-CB 3.93Å; T70-C74 PolarHBondContact O-N 3.32Å; T70-C74 PolarHBondContact O-SG 3.5Å; A71-C74 PolarHBondContact O-N 3.45Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-K76 PolarHBondContact O-N 2.86Å; C74-I77 PolarHBondContact O-N 2.81Å; C74-I78 HydrophobicContact CB-CD1 4.49Å; C74-I78 WeakPolarHBondContact O-CB 3.47Å; C74-I78 WeakPolarHBondContact O-CD1 3.43Å; C74-I78 VanDerWaalsContact O-CG1 3.25Å; C74-I78 WeakPolarHBondContact O-CG1 3.24Å; C74-I78 PolarHBondContact O-N 2.83Å
75F94Very high91.5Very high37 Ų3763.1 Ų63.116%0.16236%0.355CS..Hα-helixtrans-53.4-49.3174.2-170.4-80.5000111.1I14 A71 R73 I77 I78 E79 L91 Q93I14-F75 HydrophobicContact CD1-CB 3.99Å; I14-F75 HydrophobicContact CD1-CD2 4.44Å; I14-F75 HydrophobicContact CG2-CD2 4.28Å; A71-F75 VanDerWaalsContact O-CB 3.29Å; A71-F75 WeakPolarHBondContact O-CB 3.26Å; A71-F75 PolarHBondContact O-N 3.38Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-F75 PolarHBondContact O-N 2.79Å; F75-I77 PolarHBondContact O-N 2.85Å; F75-I78 PolarHBondContact O-N 3.45Å; F75-E79 HydrophobicContact CE1-CB 4.5Å; F75-E79 WeakPolarHBondContact O-CB 3.45Å; F75-E79 PolarHBondContact O-N 2.89Å; F75-L91 HydrophobicContact CD1-CD2 4.02Å; F75-L91 HydrophobicContact CD2-CD2 3.7Å; F75-L91 HydrophobicContact CD2-CG 3.83Å; F75-L91 HydrophobicContact CE1-CD2 4.04Å; F75-L91 HydrophobicContact CE2-CB 4.21Å; F75-L91 HydrophobicContact CE2-CD2 3.74Å; F75-L91 HydrophobicContact CE2-CG 3.57Å; F75-L91 HydrophobicContact CG-CD2 3.85Å; F75-L91 HydrophobicContact CG-CG 4.48Å; F75-L91 HydrophobicContact CZ-CB 4.29Å; F75-L91 HydrophobicContact CZ-CD2 3.9Å; F75-L91 HydrophobicContact CZ-CG 4.01Å; F75-L91 VanDerWaalsContact O-CD2 3.28Å; F75-L91 WeakPolarHBondContact O-CD2 3.44Å; F75-Q93 HydrophobicContact CD2-CB 4.08Å; F75-Q93 HydrophobicContact CE2-CB 3.92Å
76K94.6Very high91Very high143 Ų14371.7 Ų71.762%0.62240%0.401SS*.Hα-helixtrans-67.4-34.8179.5-70.7173.4-177.51770113.8N72 R73 C74 A80N72-K76 WeakPolarHBondContact O-CG 3.45Å; N72-K76 PolarHBondContact O-N 3.25Å; R73-K76 PolarHBondContact O-N 3.49Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-K76 PolarHBondContact O-N 2.86Å; K76-A80 WeakPolarHBondContact O-CB 3.49Å; K76-A80 PolarHBondContact O-N 3.03Å; K76-A80 VanDerWaalsContact O-N 3.1Å
77I92.9Very high90.8Very high57 Ų5770.9 Ų70.929%0.29238%0.381SS..Hα-helixtrans-65.5-49.7175.5-68166.1000109.1E34 R73 C74 F75 A80 M81E34-I77 HydrophobicContact CG-CG2 4.34Å; R73-I77 HydrophobicContact CG-CD1 4.13Å; R73-I77 WeakPolarHBondContact O-CG1 3.49Å; R73-I77 PolarHBondContact O-N 2.82Å; R73-I77 VanDerWaalsContact O-N 3.16Å; C74-I77 PolarHBondContact O-N 2.81Å; F75-I77 PolarHBondContact O-N 2.85Å; I77-A80 WeakPolarHBondContact O-CB 3.1Å; I77-A80 PolarHBondContact O-N 2.93Å; I77-M81 HydrophobicContact CG2-SD 4.01Å; I77-M81 WeakPolarHBondContact O-CG 3.32Å; I77-M81 PolarHBondContact O-N 2.77Å
78I92.8Very high90.6Very high1 Ų177.8 Ų77.81%0.00541%0.409CS..Hα-helixtrans-69.3-37.9-177.8-62.3164.8000111.2L16 V31 L35 C74 F75 A80 M81 I82 L91L16-I78 HydrophobicContact CD1-CG2 4.36Å; V31-I78 HydrophobicContact CG1-CD1 4.44Å; V31-I78 HydrophobicContact CG1-CG1 4.21Å; V31-I78 HydrophobicContact CG1-CG2 3.77Å; L35-I78 HydrophobicContact CD1-CD1 4.26Å; L35-I78 HydrophobicContact CD2-CD1 3.23Å; L35-I78 HydrophobicContact CG-CD1 3.55Å; C74-I78 HydrophobicContact CB-CD1 4.49Å; C74-I78 WeakPolarHBondContact O-CB 3.47Å; C74-I78 WeakPolarHBondContact O-CD1 3.43Å; C74-I78 VanDerWaalsContact O-CG1 3.25Å; C74-I78 WeakPolarHBondContact O-CG1 3.24Å; C74-I78 PolarHBondContact O-N 2.83Å; F75-I78 PolarHBondContact O-N 3.45Å; I78-A80 VanDerWaalsContact C-N 3.31Å; I78-A80 PolarHBondContact O-N 2.93Å; I78-M81 PolarHBondContact O-N 2.91Å; I78-I82 HydrophobicContact CG2-CD1 3.86Å; I78-I82 HydrophobicContact CG2-CG1 4.29Å; I78-I82 WeakPolarHBondContact O-CB 3.34Å; I78-I82 WeakPolarHBondContact O-CD1 3.37Å; I78-I82 WeakPolarHBondContact O-CG1 3.11Å; I78-I82 PolarHBondContact O-N 3.19Å; I78-L91 HydrophobicContact CB-CD1 4.41Å; I78-L91 HydrophobicContact CB-CD2 4.01Å; I78-L91 HydrophobicContact CG2-CD1 3.71Å; I78-L91 HydrophobicContact CG2-CD2 3.95Å; I78-L91 HydrophobicContact CG2-CG 4.47Å
79E93.6Very high90.6Very high104 Ų10475.9 Ų75.949%0.48640%0.395SS..Hα-helixtrans-58.5-42.2171.5-176.7177.8-146.100111.3F75 A83 L91F75-E79 HydrophobicContact CE1-CB 4.5Å; F75-E79 WeakPolarHBondContact O-CB 3.45Å; F75-E79 PolarHBondContact O-N 2.89Å; E79-A83 VanDerWaalsContact O-CB 3.27Å; E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 3.13Å; E79-L91 HydrophobicContact CB-CD2 4.09Å
80A92.5Very high90.6Very high62 Ų6274.6 Ų74.651%0.51239%0.387SS..Hα-helixtrans-68.2-37.9174.500000112.8K76 I77 I78 A83 S84K76-A80 WeakPolarHBondContact O-CB 3.49Å; K76-A80 PolarHBondContact O-N 3.03Å; K76-A80 VanDerWaalsContact O-N 3.1Å; I77-A80 WeakPolarHBondContact O-CB 3.1Å; I77-A80 PolarHBondContact O-N 2.93Å; I78-A80 VanDerWaalsContact C-N 3.31Å; I78-A80 PolarHBondContact O-N 2.93Å; A80-A83 PolarHBondContact O-N 3.02Å; A80-S84 WeakPolarHBondContact O-CB 3.47Å; A80-S84 PolarHBondContact O-N 2.91Å
81M90Very high90.7Very high50 Ų5073.5 Ų73.525%0.24638%0.379CS..Hα-helixtrans-64.4-46.7174.1-67.7171.282.800111.2D30 V31 E34 I77 I78 A83 S84 S85D30-M81 HydrophobicContact CB-CE 3.63Å; V31-M81 HydrophobicContact CG2-CB 4.35Å; V31-M81 HydrophobicContact CG2-CE 3.66Å; V31-M81 HydrophobicContact CG2-SD 4.12Å; E34-M81 HydrophobicContact CG-SD 4.36Å; I77-M81 HydrophobicContact CG2-SD 4.01Å; I77-M81 WeakPolarHBondContact O-CG 3.32Å; I77-M81 PolarHBondContact O-N 2.77Å; I78-M81 PolarHBondContact O-N 2.91Å; M81-A83 PolarHBondContact O-N 3.45Å; M81-S84 PolarHBondContact O-N 3.48Å; M81-S84 VanDerWaalsContact O-N 3.13Å; M81-S84 PolarHBondContact O-OG 2.8Å; M81-S85 PolarHBondContact O-N 2.91Å
82I89.6Confident90.7Very high21 Ų2177.6 Ų77.611%0.10840%0.398CS..Hα-helixtrans-57-50.2173.9-67.8161.7000109.8L16 I78 S84 S85 W89 L91L16-I82 HydrophobicContact CD1-CD1 3.8Å; L16-I82 HydrophobicContact CD1-CG1 4.44Å; I78-I82 HydrophobicContact CG2-CD1 3.86Å; I78-I82 HydrophobicContact CG2-CG1 4.29Å; I78-I82 WeakPolarHBondContact O-CB 3.34Å; I78-I82 WeakPolarHBondContact O-CD1 3.37Å; I78-I82 WeakPolarHBondContact O-CG1 3.11Å; I78-I82 PolarHBondContact O-N 3.19Å; I82-S84 PolarHBondContact O-N 2.86Å; I82-S85 CarbonylContact O-C 3.57Å; I82-S85 WeakPolarHBondContact O-CA 3.37Å; I82-S85 PolarHBondContact O-N 2.83Å; I82-S85 PolarHBondContact O-OG 3.22Å; I82-W89 HydrophobicContact CD1-CB 4.34Å; I82-W89 HydrophobicContact CG1-CB 4.2Å; I82-W89 HydrophobicContact CG1-CE3 4.07Å; I82-W89 HydrophobicContact CG2-CB 4.32Å; I82-L91 HydrophobicContact CD1-CB 3.8Å; I82-L91 HydrophobicContact CD1-CD1 4.37Å; I82-L91 HydrophobicContact CD1-CD2 4.27Å; I82-L91 HydrophobicContact CD1-CG 4.39Å
83A90.1Very high90.5Very high86 Ų8678.6 Ų78.671%0.71140%0.401SS*.Hα-helixtrans-64.9-19.2179.800000114.1E79 A80 M81E79-A83 VanDerWaalsContact O-CB 3.27Å; E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 3.13Å; A80-A83 PolarHBondContact O-N 3.02Å; M81-A83 PolarHBondContact O-N 3.45Å
84S88.6Confident90.4Very high103 Ų10371.2 Ų71.272%0.7237%0.374SS*.Hα-helixtrans-86.7-11.2171.477.70000113.8A80 M81 I82A80-S84 WeakPolarHBondContact O-CB 3.47Å; A80-S84 PolarHBondContact O-N 2.91Å; M81-S84 PolarHBondContact O-N 3.48Å; M81-S84 VanDerWaalsContact O-N 3.13Å; M81-S84 PolarHBondContact O-OG 2.8Å; I82-S84 PolarHBondContact O-N 2.86Å
85S85Confident89.6Confident28 Ų2874.4 Ų74.420%0.19640%0.395CS..THydrogen-bonded Turntrans-103.6145.1178.177.10000111.1M81 I82 R87M81-S85 PolarHBondContact O-N 2.91Å; I82-S85 CarbonylContact O-C 3.57Å; I82-S85 WeakPolarHBondContact O-CA 3.37Å; I82-S85 PolarHBondContact O-N 2.83Å; I82-S85 PolarHBondContact O-OG 3.22Å; S85-R87 PolarHBondContact O-N 3.2Å
86D83.4Confident88.7Confident182 Ų18275.5 Ų75.597%0.97340%0.404SS*.THydrogen-bonded Turntrans-7739.9175.2-64.2-44.5000112.4
87R83.3Confident87.4Confident63 Ų6375.8 Ų75.824%0.23841%0.413CS..  trans-123.3138.2-169.3-64.4-173.5172.1-168-10.2113.9L23 D24 S85 W89L23-R87 PolarHBondContact O-NH2 3.44Å; D24-R87 VanDerWaalsContact C-NH1 3.29Å; D24-R87 PolarHBondContact O-NH1 3.1Å; D24-R87 IonicContact OD1-CZ 2.78Å; D24-R87 VanDerWaalsContact OD1-CZ 3.29Å; D24-R87 IonicContact OD1-NE 3.29Å; D24-R87 IonicContact OD1-NH1 3.61Å; D24-R87 PolarHBondContact OD1-NH1 3.19Å; D24-R87 VanDerWaalsContact OD1-NH1 3.15Å; D24-R87 IonicContact OD1-NH2 3.83Å; S85-R87 PolarHBondContact O-N 3.2Å; R87-W89 HydrophobicContact CB-CD2 4.29Å; R87-W89 HydrophobicContact CB-CG 4.33Å; R87-W89 PolarHBondContact O-N 2.89Å
88E84.7Confident85.6Confident188 Ų18878 Ų7888%0.87943%0.425SS*.  trans-84.542.6-178.2-57.2-171.8163.800113.1
89W90.2Very high83.4Confident18 Ų1884 Ų847%0.06846%0.462CS..  trans-73.7128.6174.8-67.4-18.3000110.5L16 L19 D24 P27 L28 V31 I82 R87L16-W89 HydrophobicContact CD1-CB 4.07Å; L19-W89 HydrophobicContact CD2-CD2 4.01Å; L19-W89 VanDerWaalsContact CD2-CE2 3.5Å; L19-W89 HydrophobicContact CD2-CG 4.18Å; L19-W89 HydrophobicContact CD2-CZ2 3.78Å; D24-W89 HydrophobicContact CB-CZ2 3.93Å; D24-W89 VanDerWaalsContact CG-NE1 3.26Å; D24-W89 PolarHBondContact OD1-NE1 3.03Å; D24-W89 PolarHBondContact OD2-NE1 3.41Å; P27-W89 HydrophobicContact CB-CH2 4.36Å; P27-W89 HydrophobicContact CG-CH2 3.72Å; P27-W89 HydrophobicContact CG-CZ2 4.45Å; P27-W89 HydrophobicContact CG-CZ3 4.22Å; L28-W89 HydrophobicContact CD1-CH2 4.38Å; V31-W89 HydrophobicContact CG2-CZ3 4.07Å; I82-W89 HydrophobicContact CD1-CB 4.34Å; I82-W89 HydrophobicContact CG1-CB 4.2Å; I82-W89 HydrophobicContact CG1-CE3 4.07Å; I82-W89 HydrophobicContact CG2-CB 4.32Å; R87-W89 HydrophobicContact CB-CD2 4.29Å; R87-W89 HydrophobicContact CB-CG 4.33Å; R87-W89 PolarHBondContact O-N 2.89Å
90K92.1Very high81.4Confident132 Ų13282.2 Ų82.257%0.57446%0.455SS*.EExtended strand (participates in β ladder)trans-91.5135171.1-54-177.4179-1790109.5L16 G17L16-K90 WeakPolarHBondContact CA-O 3.18Å; G17-K90 PolarHBondContact N-O 3.16Å; G17-K90 WeakPolarHBondContact O-CA 3.31Å; G17-K90 VanDerWaalsContact O-CB 3.22Å; G17-K90 WeakPolarHBondContact O-CB 3.34Å; G17-K90 PolarHBondContact O-N 2.85Å; G17-K90 VanDerWaalsContact O-O 3.08Å
91L94.1Very high79.2Confident29 Ų2986.1 Ų86.115%0.15247%0.468CS..EExtended strand (participates in β ladder)trans-112.6115.6173.1-165.469.2000108.1I14 L16 F75 I78 E79 I82I14-L91 HydrophobicContact CG2-CD1 3.48Å; I14-L91 VanDerWaalsContact CG2-CD1 3.48Å; I14-L91 HydrophobicContact CG2-CG 4.08Å; L16-L91 HydrophobicContact CB-CD1 4.16Å; L16-L91 HydrophobicContact CD1-CD1 3.96Å; F75-L91 HydrophobicContact CD1-CD2 4.02Å; F75-L91 HydrophobicContact CD2-CD2 3.7Å; F75-L91 HydrophobicContact CD2-CG 3.83Å; F75-L91 HydrophobicContact CE1-CD2 4.04Å; F75-L91 HydrophobicContact CE2-CB 4.21Å; F75-L91 HydrophobicContact CE2-CD2 3.74Å; F75-L91 HydrophobicContact CE2-CG 3.57Å; F75-L91 HydrophobicContact CG-CD2 3.85Å; F75-L91 HydrophobicContact CG-CG 4.48Å; F75-L91 HydrophobicContact CZ-CB 4.29Å; F75-L91 HydrophobicContact CZ-CD2 3.9Å; F75-L91 HydrophobicContact CZ-CG 4.01Å; F75-L91 VanDerWaalsContact O-CD2 3.28Å; F75-L91 WeakPolarHBondContact O-CD2 3.44Å; I78-L91 HydrophobicContact CB-CD1 4.41Å; I78-L91 HydrophobicContact CB-CD2 4.01Å; I78-L91 HydrophobicContact CG2-CD1 3.71Å; I78-L91 HydrophobicContact CG2-CD2 3.95Å; I78-L91 HydrophobicContact CG2-CG 4.47Å; E79-L91 HydrophobicContact CB-CD2 4.09Å; I82-L91 HydrophobicContact CD1-CB 3.8Å; I82-L91 HydrophobicContact CD1-CD1 4.37Å; I82-L91 HydrophobicContact CD1-CD2 4.27Å; I82-L91 HydrophobicContact CD1-CG 4.39Å
92E92.7Very high77.3Confident86 Ų8687.4 Ų87.440%0.40248%0.478SS..EExtended strand (participates in β ladder)trans-119.6129.3-176.6-68.3174.2176.700109.1R15R15-E92 HydrophobicContact CB-CB 4.4Å; R15-E92 PolarHBondContact N-O 2.91Å; R15-E92 IonicContact NH1-OE2 2.75Å; R15-E92 PolarHBondContact O-N 3.38Å
93Q90.9Very high74.7Confident82 Ų8291.3 Ų91.338%0.38350%0.503SS..EExtended strand (participates in β ladder)trans-93.3114.8172.4-171.517317.200108.1C12 N72 F75C12-Q93 VanDerWaalsContact SG-CG 3.57Å; C12-Q93 PolarHBondContact SG-NE2 2.97Å; N72-Q93 PolarHBondContact OD1-NE2 3.33Å; F75-Q93 HydrophobicContact CD2-CB 4.08Å; F75-Q93 HydrophobicContact CE2-CB 3.92Å
94I89.5Confident72.2Confident18 Ų1892 Ų929%0.09250%0.5CS..EExtended strand (participates in β ladder)trans-100119.3-175.3-57.9177.1000108.5H13 R15 D98 L100H13-I94 HydrophobicContact CB-CB 4.17Å; H13-I94 PolarHBondContact N-O 3.22Å; H13-I94 PolarHBondContact O-N 2.81Å; R15-I94 HydrophobicContact CB-CD1 3.68Å; R15-I94 HydrophobicContact CB-CG1 4.33Å; R15-I94 HydrophobicContact CG-CD1 4.4Å; I94-D98 HydrophobicContact CG2-CB 4.32Å; I94-L100 HydrophobicContact CD1-CD1 4.17Å; I94-L100 HydrophobicContact CD1-CD2 4.19Å; I94-L100 HydrophobicContact CG2-CD1 4.26Å; I94-L100 HydrophobicContact CG2-CG 4.41Å
95P78.1Confident69.7Low72 Ų7292.5 Ų92.547%0.46850%0.504SS..EExtended strand (participates in β ladder)trans-70138.7172.430.8-33.1000109.6N97 D98P95-N97 PolarHBondContact O-N 2.78Å; P95-D98 PolarHBondContact O-N 3.25Å
96V74.3Confident67.3Low60 Ų60100 Ų10036%0.36454%0.536SS..THydrogen-bonded Turntrans-57.7-21-176.6174.80000113.9S11 D98S11-V96 WeakPolarHBondContact O-CG2 3.49Å; S11-V96 WeakPolarHBondContact OG-CG2 3.33Å; V96-D98 VanDerWaalsContact C-N 3.28Å; V96-D98 PolarHBondContact O-N 2.84Å
97N66.4Low65.1Low149 Ų14998.7 Ų98.780%0.79752%0.524SS*.THydrogen-bonded Turntrans-72.2-21.4178.7-63.2-5.3000112.9P95 T99P95-N97 PolarHBondContact O-N 2.78Å; N97-T99 PolarHBondContact O-N 3.37Å
98D56.7Low62.7Low105 Ų105101.3 Ų101.356%0.56155%0.546SS*.SBendtrans-78.3102.5166.8-75.1-30.4000107.7I94 P95 V96 L100I94-D98 HydrophobicContact CG2-CB 4.32Å; P95-D98 PolarHBondContact O-N 3.25Å; V96-D98 VanDerWaalsContact C-N 3.28Å; V96-D98 PolarHBondContact O-N 2.84Å; D98-L100 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 3.09Å
99T45.8Very low60.4Low127 Ų12799.4 Ų99.478%0.77955%0.547SS*.  trans-5798.7173.9-30.60000108.1N97 D101N97-T99 PolarHBondContact O-N 3.37Å; T99-D101 PolarHBondContact O-N 3.26Å
100L52.1Low57.5Low65 Ų65101.6 Ų101.634%0.3458%0.575SS.*  trans-63.8107.7170.4-89.7164.1000106.9V62 I94 D98 V102V62-L100 HydrophobicContact CG1-CD1 4.44Å; I94-L100 HydrophobicContact CD1-CD1 4.17Å; I94-L100 HydrophobicContact CD1-CD2 4.19Å; I94-L100 HydrophobicContact CG2-CD1 4.26Å; I94-L100 HydrophobicContact CG2-CG 4.41Å; D98-L100 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 3.09Å; L100-V102 HydrophobicContact CB-CB 4.39Å; L100-V102 HydrophobicContact CB-CG2 4.16Å; L100-V102 HydrophobicContact CD2-CG2 4.01Å; L100-V102 PolarHBondContact O-N 2.93Å
101D46.6Very low54.6Low145 Ų145104.6 Ų104.678%0.77559%0.591SS**  trans-63.835.3158.6-87.8-26.7000111.6T99 T103T99-D101 PolarHBondContact O-N 3.26Å; D101-T103 PolarHBondContact O-N 2.8Å; D101-T103 VanDerWaalsContact O-N 3.12Å
102V48.3Very low51.9Low76 Ų76108.5 Ų108.546%0.46162%0.618SS.*  trans-77.262.6146.2-171.10000106.4L100 P104L100-V102 HydrophobicContact CB-CB 4.39Å; L100-V102 HydrophobicContact CB-CG2 4.16Å; L100-V102 HydrophobicContact CD2-CG2 4.01Å; L100-V102 PolarHBondContact O-N 2.93Å; V102-P104 WeakPolarHBondContact O-CD 3.48Å
103T36.4Very low49.1Very low103 Ų103110.9 Ų110.963%0.63263%0.633SS**  trans-51.1121.6145.743.90000105.7D101 S105D101-T103 PolarHBondContact O-N 2.8Å; D101-T103 VanDerWaalsContact O-N 3.12Å; T103-S105 PolarHBondContact O-N 3.42Å
104P36.2Very low46.3Very low101 Ų101112.4 Ų112.466%0.65665%0.653SS**  trans-53.5132.1166.326-33.1000105.8V102 Q106V102-P104 WeakPolarHBondContact O-CD 3.48Å; P104-Q106 PolarHBondContact O-N 2.84Å
105S36.1Very low44Very low113 Ų113118.9 Ų118.979%0.7968%0.683SS**  trans-67.475.4-162.9-178.30000112.6T103 H107T103-S105 PolarHBondContact O-N 3.42Å; S105-H107 PolarHBondContact O-N 3.28Å
106Q35.2Very low41.8Very low185 Ų185122 Ų12286%0.86470%0.696SS**  trans-67.478.6163.7-72.7-172.4-8.100107.5P104P104-Q106 PolarHBondContact O-N 2.84Å
107H36.8Very low40Very low156 Ų156125.1 Ų125.172%0.72271%0.714SS**  trans-134.385.9173-139.3-81.4000111.1S105S105-H107 PolarHBondContact O-N 3.28Å
108V34.5Very low38.4Very low118 Ų118123.4 Ų123.472%0.71571%0.709SS**  trans66.993.2147.5-172.60000116.2
109V35.2Very low37.6Very low148 Ų148123.5 Ų123.590%0.89772%0.716SS**SBend-145.8117.5110.2179.50000109.3
110G30.6Very low37.3Very low63 Ų63124.5 Ų124.565%0.64972%0.717SS**  trans79.1109.315700000118.4
111E30.7Very low36.5Very low196 Ų196125.5 Ų125.592%0.91674%0.743SS**  trans-55.6144.3136.9-69.5-179.8126.600108.3
112P36.4Very low36.3Very low111 Ų111126.4 Ų126.472%0.72174%0.743SS**  -134.1135.711234.9-26000112.8
113L34.9Very low36.2Very low135 Ų135131.6 Ų131.671%0.70777%0.767SS**  trans46.898.5145.5-71.1155.7000116.6E115L113-E115 HydrophobicContact CB-CG 4.42Å; L113-E115 PolarHBondContact O-N 3.23Å
114S32.3Very low36.8Very low114 Ų114133.9 Ų133.980%0.79777%0.77SS**  trans-57.283.3140.653.80000110
115E40Very low37.7Very low155 Ų155132.9 Ų132.972%0.72476%0.764SS**  trans-86106.4152.8-76.6-168.9164.800107.5L113 V117L113-E115 HydrophobicContact CB-CG 4.42Å; L113-E115 PolarHBondContact O-N 3.23Å; E115-V117 PolarHBondContact O-N 3.13Å
116D32.2Very low39Very low138 Ų138130.3 Ų130.374%0.73875%0.75SS**  trans-60.1104.1170.9-66.7-54.8000109V118D116-V118 HydrophobicContact CB-CG2 3.64Å; D116-V118 PolarHBondContact O-N 2.85Å
117V36.8Very low40.9Very low124 Ų124125.5 Ų125.575%0.75273%0.73SS**  trans-72.778.3161.5-179.30000107.2E115 C119E115-V117 PolarHBondContact O-N 3.13Å; V117-C119 HydrophobicContact CG1-CB 4.34Å; V117-C119 VanDerWaalsContact CG1-SG 3.58Å; V117-C119 PolarHBondContact O-N 2.75Å
118V32.2Very low43.3Very low113 Ų113118.3 Ų118.369%0.68570%0.698SS**  trans-70.571.2171.2-171.50000108.9D116 N120D116-V118 HydrophobicContact CB-CG2 3.64Å; D116-V118 PolarHBondContact O-N 2.85Å; V118-N120 PolarHBondContact O-N 2.84Å; V118-N120 VanDerWaalsContact O-N 3.09Å
119C40Very low46.1Very low107 Ų107113.7 Ų113.772%0.72367%0.671SS**  trans-81.973.4165.8-81.80000109.6V117V117-C119 HydrophobicContact CG1-CB 4.34Å; V117-C119 VanDerWaalsContact CG1-SG 3.58Å; V117-C119 PolarHBondContact O-N 2.75Å
120N39.9Very low48.9Very low148 Ų148106.7 Ų106.779%0.79163%0.628SS**SBendtrans46.176.3159.8-62-28.1000117.5V118 E122V118-N120 PolarHBondContact O-N 2.84Å; V118-N120 VanDerWaalsContact O-N 3.09Å; N120-E122 PolarHBondContact O-N 2.88Å
121G36.2Very low51.9Low86 Ų86106.4 Ų106.489%0.88761%0.612SS**SBend77.62.3127.800000120.3
122E41.5Very low55Low165 Ų16597.1 Ų97.177%0.77157%0.568SS**  trans-138.1121.5173.2-121.1177.8142.800112N120 Q124N120-E122 PolarHBondContact O-N 2.88Å; E122-Q124 VanDerWaalsContact C-N 3.28Å; E122-Q124 PolarHBondContact O-N 2.83Å
123L45.6Very low57.7Low184 Ų18492.2 Ų92.296%0.96354%0.538SS*.  trans-75.282.8172.4-129.991.1000108.4
124Q50.3Low60.4Low151 Ų15186.7 Ų86.771%0.70651%0.513SS*.  trans-59.5139.7173.8-79.2-90.5-7.900110E122E122-Q124 VanDerWaalsContact C-N 3.28Å; E122-Q124 PolarHBondContact O-N 2.83Å
125P53.5Low63.3Low81 Ų8181.2 Ų81.253%0.52648%0.475SS..  trans-59.4160.1174.426.5-34.7000111D127P125-D127 HydrophobicContact CG-CB 4.48Å; P125-D127 PolarHBondContact O-N 3.49Å
126A64.1Low65.8Low59 Ų5974 Ų7449%0.48844%0.442SS..SBendtrans-66.914.8-177.100000115.4G128 C129A126-G128 PolarHBondContact O-N 3.15Å; A126-C129 PolarHBondContact O-N 2.77Å
127D75Confident68.6Low83 Ų8371.2 Ų71.244%0.44443%0.431SS..THydrogen-bonded Turntrans-68.967.5178.1-80.3-58.1000112.1P125 K176P125-D127 HydrophobicContact CG-CB 4.48Å; P125-D127 PolarHBondContact O-N 3.49Å; D127-K176 HydrophobicContact CB-CB 4.3Å; D127-K176 HydrophobicContact CB-CD 4.15Å; D127-K176 WeakPolarHBondContact O-CA 3.16Å; D127-K176 WeakPolarHBondContact O-CB 3.3Å; D127-K176 PolarHBondContact O-N 2.77Å; D127-K176 IonicContact OD1-NZ 3.91Å; D127-K176 PolarHBondContact OD1-NZ 2.82Å
128G87.7Confident71.1Confident6 Ų668.8 Ų68.86%0.06242%0.419CS..THydrogen-bonded Turntrans170.6-2.1179.200000115A126 F173A126-G128 PolarHBondContact O-N 3.15Å; G128-F173 PolarHBondContact O-N 3.24Å
129C92.8Very high74Confident21 Ų2163.7 Ų63.714%0.14239%0.389CS..EExtended strand (participates in β ladder)trans-86.2134.5177.9-62.90000111.7A126 V170 V171 F205A126-C129 PolarHBondContact O-N 2.77Å; C129-V170 HydrophobicContact CB-CG1 4.24Å; C129-V171 WeakPolarHBondContact CA-O 3.37Å; C129-F205 HydrophobicContact CB-CB 3.9Å; C129-F205 HydrophobicContact CB-CD1 4.26Å; C129-F205 HydrophobicContact CB-CG 4.5Å; C129-F205 WeakPolarHBondContact O-CB 3.48Å; C129-F205 PolarHBondContact O-N 2.94Å
130V94.1Very high76.6Confident0 Ų062.5 Ų62.50%038%0.375CS..EExtended strand (participates in β ladder)trans-125.2131.1174.9-176.60000108.9V132 V170 V171 F173 A179 I183 M202 Q203V130-V132 HydrophobicContact CG1-CG2 4.14Å; V130-V170 CarbonylContact O-C 3.06Å; V130-V170 WeakPolarHBondContact O-CA 3.35Å; V130-V171 PolarHBondContact N-O 2.7Å; V130-V171 PolarHBondContact O-N 2.71Å; V130-F173 HydrophobicContact CB-CD2 4.47Å; V130-F173 HydrophobicContact CB-CE2 4.04Å; V130-F173 HydrophobicContact CG2-CD2 3.83Å; V130-F173 HydrophobicContact CG2-CE2 3.67Å; V130-A179 HydrophobicContact CG2-CB 3.57Å; V130-I183 HydrophobicContact CG1-CD1 4.11Å; V130-I183 HydrophobicContact CG1-CG1 3.86Å; V130-I183 HydrophobicContact CG2-CD1 4.11Å; V130-I183 HydrophobicContact CG2-CG1 4.29Å; V130-M202 HydrophobicContact CG1-CB 4.01Å; V130-M202 HydrophobicContact CG1-CE 3.81Å; V130-Q203 WeakPolarHBondContact CA-O 3.35Å; V130-Q203 WeakPolarHBondContact CG1-O 3.37Å
131L94Very high79.2Confident58 Ų5860.2 Ų60.230%0.30436%0.36SS..EExtended strand (participates in β ladder)trans-84.7125.1168.3-179.265.8000108.9V170 M202 Q203 F205L131-V170 HydrophobicContact CD1-CG2 3.98Å; L131-M202 CarbonylContact O-C 3.45Å; L131-M202 WeakPolarHBondContact O-CA 3.31Å; L131-Q203 PolarHBondContact N-O 2.86Å; L131-Q203 PolarHBondContact O-N 3.47Å; L131-F205 HydrophobicContact CB-CD2 4.16Å
132V94.9Very high82Confident0 Ų061.3 Ų61.30%034%0.342CS..EExtended strand (participates in β ladder)trans-117.1111.3-177.2-174.40000108.4V130 L135 F148 S168 A169 V171 I200 S201 M202V130-V132 HydrophobicContact CG1-CG2 4.14Å; V132-L135 HydrophobicContact CG1-CD1 4.22Å; V132-L135 HydrophobicContact CG1-CD2 3.86Å; V132-L135 HydrophobicContact CG1-CG 4.22Å; V132-F148 HydrophobicContact CG1-CE2 4.37Å; V132-F148 HydrophobicContact CG1-CZ 4.07Å; V132-F148 HydrophobicContact CG2-CE2 4.09Å; V132-F148 HydrophobicContact CG2-CZ 4.08Å; V132-S168 CarbonylContact O-C 3.18Å; V132-S168 VanDerWaalsContact O-CA 3.25Å; V132-S168 WeakPolarHBondContact O-CA 3.34Å; V132-A169 PolarHBondContact N-O 3.22Å; V132-A169 PolarHBondContact O-N 2.97Å; V132-V171 HydrophobicContact CB-CG2 4.46Å; V132-V171 HydrophobicContact CG2-CB 4.29Å; V132-V171 HydrophobicContact CG2-CG2 3.68Å; V132-I200 HydrophobicContact CG1-CG2 3.43Å; V132-I200 VanDerWaalsContact CG1-CG2 3.43Å; V132-S201 WeakPolarHBondContact CA-O 3.4Å; V132-M202 HydrophobicContact CG1-CG 4.47Å; V132-M202 HydrophobicContact CG2-CE 4.3Å; V132-M202 HydrophobicContact CG2-CG 4.43Å
133G93.9Very high84.5Confident8 Ų856 Ų568%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-107.6173.9177.600000112.8I200 S201G133-I200 WeakPolarHBondContact O-CA 3.48Å; G133-S201 PolarHBondContact N-O 3.19Å; G133-S201 PolarHBondContact O-N 3.12Å
134G91.6Very high86.8Confident19 Ų1947.3 Ų47.320%0.19628%0.275CS..EExtended strand (participates in β ladder)trans78.715.617800000114.6T198G134-T198 VanDerWaalsContact O-CB 3.23Å; G134-T198 WeakPolarHBondContact O-CB 3.39Å; G134-T198 PolarHBondContact O-OG1 2.82Å
135L94Very high88.9Confident0 Ų040.7 Ų40.70%025%0.247CC..EExtended strand (participates in β ladder)trans-78.5136.9-174.5-57.9173.8000111.7V132 L144 F158 F166 K167 A169 L191 I200V132-L135 HydrophobicContact CG1-CD1 4.22Å; V132-L135 HydrophobicContact CG1-CD2 3.86Å; V132-L135 HydrophobicContact CG1-CG 4.22Å; L135-L144 HydrophobicContact CD1-CD1 3.85Å; L135-L144 HydrophobicContact CD1-CD2 4.32Å; L135-L144 HydrophobicContact CD2-CD2 3.76Å; L135-F158 HydrophobicContact CD1-CE1 4.07Å; L135-F166 CarbonylContact O-C 3.57Å; L135-F166 WeakPolarHBondContact O-CA 3.3Å; L135-K167 HydrophobicContact CB-CB 3.91Å; L135-K167 WeakPolarHBondContact CB-O 3.49Å; L135-K167 PolarHBondContact N-O 3.46Å; L135-K167 VanDerWaalsContact N-O 3.12Å; L135-K167 PolarHBondContact O-N 2.92Å; L135-A169 HydrophobicContact CD1-CB 3.8Å; L135-L191 HydrophobicContact CD2-CD1 3.9Å; L135-I200 HydrophobicContact CD2-CD1 4.28Å; L135-I200 HydrophobicContact CD2-CG1 4.2Å
136L92.5Very high90.8Very high4 Ų441.7 Ų41.72%0.02125%0.247CC..  trans-65.6147.9175.2-65.6174000111.1S138 V139 L191 D193 T196 T198L136-S138 WeakPolarHBondContact CB-OG 3.48Å; L136-S138 PolarHBondContact O-N 3.46Å; L136-S138 VanDerWaalsContact O-N 3.07Å; L136-V139 HydrophobicContact CB-CG2 4.11Å; L136-V139 WeakPolarHBondContact O-CB 3.48Å; L136-V139 PolarHBondContact O-N 3.33Å; L136-L191 HydrophobicContact CD1-CB 4.02Å; L136-L191 HydrophobicContact CG-CB 4.32Å; L136-D193 HydrophobicContact CD1-CB 3.84Å; L136-T196 WeakPolarHBondContact CD2-OG1 3.36Å; L136-T198 HydrophobicContact CD2-CG2 3.51Å; L136-T198 HydrophobicContact CG-CG2 4.33Å
137P89.6Confident92.2Very high79 Ų7940.1 Ų40.151%0.51323%0.23SC..THydrogen-bonded Turntrans-56.2-24.6175.1-26.935.9000114.1L165 K167P137-L165 WeakPolarHBondContact CG-O 3.24Å; P137-K167 VanDerWaalsContact O-CE 3.31Å; P137-K167 WeakPolarHBondContact O-CE 3.39Å; P137-K167 PolarHBondContact O-NZ 3.27Å
138S90.1Very high93.1Very high72 Ų7236.7 Ų36.750%0.50321%0.212SC..THydrogen-bonded Turntrans-73.8-18.2176.639.70000114.5L136 D193L136-S138 WeakPolarHBondContact CB-OG 3.48Å; L136-S138 PolarHBondContact O-N 3.46Å; L136-S138 VanDerWaalsContact O-N 3.07Å; S138-D193 PolarHBondContact OG-OD2 2.83Å
139V93.7Very high93.2Very high7 Ų737.5 Ų37.54%0.04222%0.22CC..  trans-71.8134.1-179.11780000111.7L136 T143 L144 F158 K167 L191L136-V139 HydrophobicContact CB-CG2 4.11Å; L136-V139 WeakPolarHBondContact O-CB 3.48Å; L136-V139 PolarHBondContact O-N 3.33Å; V139-T143 HydrophobicContact CG1-CG2 4.28Å; V139-L144 HydrophobicContact CG1-CD1 4.12Å; V139-L144 HydrophobicContact CG1-CD2 4.1Å; V139-L144 HydrophobicContact CG1-CG 3.69Å; V139-F158 HydrophobicContact CG1-CE1 4.44Å; V139-F158 HydrophobicContact CG1-CZ 4.32Å; V139-K167 PolarHBondContact O-NZ 3.03Å; V139-L191 HydrophobicContact CG2-CD1 4Å
140D93.8Very high92.8Very high82 Ų8239.3 Ų39.344%0.43924%0.237SC..  trans-115.8177.8173.769.12.8000112.3Q142 T143 L144 F158D140-Q142 PolarHBondContact OD1-N 2.92Å; D140-T143 PolarHBondContact O-N 3.48Å; D140-T143 WeakPolarHBondContact OD1-CB 3.46Å; D140-T143 PolarHBondContact OD1-N 3.38Å; D140-T143 PolarHBondContact OD1-OG1 2.85Å; D140-L144 PolarHBondContact O-N 3.18Å; D140-F158 VanDerWaalsContact C-CZ 3.49Å
141E95Very high92.5Very high99 Ų9943 Ų4346%0.46326%0.263SS..Hα-helixtrans-64.4-39.6-177.5166.6157.6-143.200111.8L144 A145 V156 F158E141-L144 PolarHBondContact O-N 2.84Å; E141-A145 WeakPolarHBondContact O-CB 3.5Å; E141-A145 PolarHBondContact O-N 2.85Å; E141-V156 HydrophobicContact CB-CB 4.31Å; E141-V156 HydrophobicContact CG-CB 3.82Å; E141-V156 HydrophobicContact CG-CG2 4.1Å; E141-V156 PolarHBondContact OE1-N 2.82Å; E141-F158 HydrophobicContact CB-CE2 4.12Å
142Q94Very high92.4Very high109 Ų10943.6 Ų43.651%0.50927%0.266SS..Hα-helixtrans-63.6-43.5178.4-17262.651.100111.3D140 L144 A145 D146D140-Q142 PolarHBondContact OD1-N 2.92Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 3.06Å; Q142-A145 PolarHBondContact O-N 2.75Å; Q142-D146 PolarHBondContact NE2-OD1 3.41Å; Q142-D146 PolarHBondContact NE2-OD2 2.79Å; Q142-D146 WeakPolarHBondContact O-CB 3.41Å; Q142-D146 VanDerWaalsContact O-CG 3.24Å; Q142-D146 PolarHBondContact O-N 2.71Å
143T93.7Very high92.4Very high55 Ų5544.4 Ų44.434%0.33727%0.271SS..Hα-helixtrans-59-42.1177.3-58.30000111.5V139 D140 D146 I147V139-T143 HydrophobicContact CG1-CG2 4.28Å; D140-T143 PolarHBondContact O-N 3.48Å; D140-T143 WeakPolarHBondContact OD1-CB 3.46Å; D140-T143 PolarHBondContact OD1-N 3.38Å; D140-T143 PolarHBondContact OD1-OG1 2.85Å; T143-D146 PolarHBondContact O-N 2.82Å; T143-I147 HydrophobicContact CG2-CD1 3.88Å; T143-I147 WeakPolarHBondContact O-CB 3.31Å; T143-I147 WeakPolarHBondContact O-CD1 3.45Å; T143-I147 WeakPolarHBondContact O-CG1 3.43Å; T143-I147 PolarHBondContact O-N 2.99Å
144L94Very high92.4Very high0 Ų048 Ų480%029%0.291CS..Hα-helixtrans-69.9-40.6176.5-73.5172.2000112.8L135 V139 D140 E141 Q142 D146 I147 F148 V156 F158 A169L135-L144 HydrophobicContact CD1-CD1 3.85Å; L135-L144 HydrophobicContact CD1-CD2 4.32Å; L135-L144 HydrophobicContact CD2-CD2 3.76Å; V139-L144 HydrophobicContact CG1-CD1 4.12Å; V139-L144 HydrophobicContact CG1-CD2 4.1Å; V139-L144 HydrophobicContact CG1-CG 3.69Å; D140-L144 PolarHBondContact O-N 3.18Å; E141-L144 PolarHBondContact O-N 2.84Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 3.06Å; L144-D146 VanDerWaalsContact C-N 3.31Å; L144-D146 PolarHBondContact O-N 2.82Å; L144-I147 PolarHBondContact O-N 2.85Å; L144-F148 HydrophobicContact CD2-CE2 3.88Å; L144-F148 WeakPolarHBondContact O-CD2 3.47Å; L144-F148 PolarHBondContact O-N 2.83Å; L144-V156 HydrophobicContact CB-CG1 4.37Å; L144-V156 HydrophobicContact CB-CG2 4.36Å; L144-V156 HydrophobicContact CD1-CG1 3.63Å; L144-F158 HydrophobicContact CD1-CE1 3.79Å; L144-F158 HydrophobicContact CD1-CE2 4.45Å; L144-F158 HydrophobicContact CD1-CZ 3.57Å; L144-A169 HydrophobicContact CD1-CB 3.98Å
145A94.3Very high92.5Very high13 Ų1348.4 Ų48.411%0.10729%0.291CS..Hα-helixtrans-61.3-41174.500000111.4E141 Q142 G149 A150E141-A145 WeakPolarHBondContact O-CB 3.5Å; E141-A145 PolarHBondContact O-N 2.85Å; Q142-A145 PolarHBondContact O-N 2.75Å; A145-G149 CarbonylContact O-C 3.57Å; A145-G149 WeakPolarHBondContact O-CA 3.38Å; A145-G149 PolarHBondContact O-N 2.94Å; A145-A150 HydrophobicContact CB-CB 4.36Å; A145-A150 WeakPolarHBondContact O-CA 3.48Å; A145-A150 PolarHBondContact O-N 2.88Å
146D93.9Very high92.6Very high101 Ų10148.8 Ų48.854%0.5429%0.293SS..Hα-helixtrans-68.9-39.8178-70-16.9000112.2Q142 T143 L144Q142-D146 PolarHBondContact NE2-OD1 3.41Å; Q142-D146 PolarHBondContact NE2-OD2 2.79Å; Q142-D146 WeakPolarHBondContact O-CB 3.41Å; Q142-D146 VanDerWaalsContact O-CG 3.24Å; Q142-D146 PolarHBondContact O-N 2.71Å; T143-D146 PolarHBondContact O-N 2.82Å; L144-D146 VanDerWaalsContact C-N 3.31Å; L144-D146 PolarHBondContact O-N 2.82Å
147I93.2Very high92.7Very high26 Ų2655.5 Ų55.513%0.13332%0.322CS..Hα-helixtrans-62-51.1176.2-72.9163.5000111.1T143 L144 G149 Y186 L191T143-I147 HydrophobicContact CG2-CD1 3.88Å; T143-I147 WeakPolarHBondContact O-CB 3.31Å; T143-I147 WeakPolarHBondContact O-CD1 3.45Å; T143-I147 WeakPolarHBondContact O-CG1 3.43Å; T143-I147 PolarHBondContact O-N 2.99Å; L144-I147 PolarHBondContact O-N 2.85Å; I147-G149 VanDerWaalsContact C-N 3.3Å; I147-G149 PolarHBondContact O-N 2.89Å; I147-Y186 HydrophobicContact CG2-CD1 3.76Å; I147-Y186 HydrophobicContact CG2-CE1 3.69Å; I147-Y186 WeakPolarHBondContact O-CE1 3.42Å; I147-Y186 PolarHBondContact O-OH 3.39Å; I147-L191 HydrophobicContact CD1-CD2 3.8Å
148F94.1Very high92.9Very high11 Ų1155 Ų555%0.04831%0.312CS..Hα-helixtrans-84.3-1.3-176.3-62.1-52000114.3V132 L144 V153 V171 F173 A182 Y186 M202V132-F148 HydrophobicContact CG1-CE2 4.37Å; V132-F148 HydrophobicContact CG1-CZ 4.07Å; V132-F148 HydrophobicContact CG2-CE2 4.09Å; V132-F148 HydrophobicContact CG2-CZ 4.08Å; L144-F148 HydrophobicContact CD2-CE2 3.88Å; L144-F148 WeakPolarHBondContact O-CD2 3.47Å; L144-F148 PolarHBondContact O-N 2.83Å; F148-V153 HydrophobicContact CB-CG2 3.86Å; F148-V171 HydrophobicContact CD2-CG1 4.25Å; F148-V171 HydrophobicContact CD2-CG2 4.31Å; F148-V171 HydrophobicContact CE2-CG2 4Å; F148-F173 HydrophobicContact CB-CE1 4.01Å; F148-F173 HydrophobicContact CB-CZ 4.05Å; F148-F173 HydrophobicContact CD1-CZ 4.4Å; F148-F173 HydrophobicContact CD2-CZ 4.34Å; F148-F173 HydrophobicContact CG-CE1 4.48Å; F148-F173 HydrophobicContact CG-CZ 4.03Å; F148-A182 HydrophobicContact CD1-CB 4.37Å; F148-Y186 HydrophobicContact CD1-CD1 4.35Å; F148-Y186 AromaticContact CD1-CD2 3.96Å; F148-Y186 HydrophobicContact CD1-CD2 3.96Å; F148-Y186 HydrophobicContact CD1-CE2 4.28Å; F148-Y186 HydrophobicContact CD1-CG 4Å; F148-Y186 HydrophobicContact CE1-CD1 4.34Å; F148-Y186 HydrophobicContact CE1-CD2 4.23Å; F148-Y186 AromaticContact CE1-CG 3.9Å; F148-Y186 HydrophobicContact CE1-CG 3.9Å; F148-M202 HydrophobicContact CD1-CE 4.26Å; F148-M202 HydrophobicContact CE1-CE 3.48Å; F148-M202 VanDerWaalsContact CE1-CE 3.48Å; F148-M202 HydrophobicContact CE1-SD 3.61Å; F148-M202 HydrophobicContact CZ-CE 3.69Å; F148-M202 HydrophobicContact CZ-SD 3.88Å
149G91.1Very high92.7Very high24 Ų2454.3 Ų54.325%0.24731%0.307CS..  trans84.3107.3-174.200000112.1A145 I147 S151 D152 V153A145-G149 CarbonylContact O-C 3.57Å; A145-G149 WeakPolarHBondContact O-CA 3.38Å; A145-G149 PolarHBondContact O-N 2.94Å; I147-G149 VanDerWaalsContact C-N 3.3Å; I147-G149 PolarHBondContact O-N 2.89Å; G149-S151 PolarHBondContact O-N 3.16Å; G149-D152 PolarHBondContact O-N 2.7Å; G149-V153 PolarHBondContact O-N 3.27Å
150A83.5Confident91.9Very high59 Ų5960.7 Ų60.749%0.48834%0.336SS..THydrogen-bonded Turntrans-63.3-10-17700000113.9A145 D152A145-A150 HydrophobicContact CB-CB 4.36Å; A145-A150 WeakPolarHBondContact O-CA 3.48Å; A145-A150 PolarHBondContact O-N 2.88Å; A150-D152 VanDerWaalsContact C-N 3.35Å
151S88.6Confident91Very high78 Ų7862.6 Ų62.655%0.54534%0.343SS..THydrogen-bonded Turntrans-72.8-24.7170.556.70000113.5G149 K174G149-S151 PolarHBondContact O-N 3.16Å; S151-K174 VanDerWaalsContact O-CD 3.3Å; S151-K174 WeakPolarHBondContact O-CD 3.5Å; S151-K174 WeakPolarHBondContact O-CE 3.24Å; S151-K174 PolarHBondContact O-NZ 3.18Å
152D91.4Very high89.9Confident69 Ų6963.7 Ų63.737%0.36936%0.358SS..THydrogen-bonded Turntrans-113.9-19.7-164.7-67.718.3000112.1G149 A150 F173 K174G149-D152 PolarHBondContact O-N 2.7Å; A150-D152 VanDerWaalsContact C-N 3.35Å; D152-F173 HydrophobicContact CB-CD1 4.41Å; D152-F173 CarbonylContact O-C 3.6Å; D152-F173 WeakPolarHBondContact O-CA 3.25Å; D152-K174 PolarHBondContact O-N 2.85Å
153V94.3Very high88.9Confident17 Ų1762.2 Ų62.210%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-81141.2172-178.90000111F148 G149 V156 V171 F173F148-V153 HydrophobicContact CB-CG2 3.86Å; G149-V153 PolarHBondContact O-N 3.27Å; V153-V156 HydrophobicContact CG1-CG2 3.82Å; V153-V171 HydrophobicContact CG1-CG1 3.88Å; V153-V171 HydrophobicContact CG2-CG1 3.97Å; V153-F173 HydrophobicContact CG2-CD1 4.44Å; V153-F173 HydrophobicContact CG2-CE1 4.12Å
154V94.3Very high88.1Confident83 Ų8364.1 Ų64.150%0.50338%0.377SS..EExtended strand (participates in β ladder)trans-105.4-44.4176.61790000111.2Q172 K174V154-Q172 HydrophobicContact CB-CB 4.38Å; V154-Q172 HydrophobicContact CB-CG 4.24Å; V154-Q172 WeakPolarHBondContact CB-O 3.38Å; V154-Q172 PolarHBondContact N-O 2.78Å; V154-K174 HydrophobicContact CG2-CB 4.23Å; V154-K174 HydrophobicContact CG2-CG 3.42Å; V154-K174 VanDerWaalsContact CG2-CG 3.42Å
155S93.6Very high87.4Confident28 Ų2870.9 Ų70.920%0.19641%0.413CS..EExtended strand (participates in β ladder)trans-157.1153.917666.10000111.5Q172S155-Q172 PolarHBondContact O-N 3.17Å; S155-Q172 PolarHBondContact OG-OE1 2.99Å
156V95.3Very high87Confident8 Ų874.9 Ų74.95%0.04843%0.428CS..EExtended strand (participates in β ladder)trans-123.7124.5172.5-176.30000109.5E141 L144 V153 F158 A169 V171E141-V156 HydrophobicContact CB-CB 4.31Å; E141-V156 HydrophobicContact CG-CB 3.82Å; E141-V156 HydrophobicContact CG-CG2 4.1Å; E141-V156 PolarHBondContact OE1-N 2.82Å; L144-V156 HydrophobicContact CB-CG1 4.37Å; L144-V156 HydrophobicContact CB-CG2 4.36Å; L144-V156 HydrophobicContact CD1-CG1 3.63Å; V153-V156 HydrophobicContact CG1-CG2 3.82Å; V156-F158 HydrophobicContact CG1-CE2 4.13Å; V156-F158 HydrophobicContact CG1-CZ 4.44Å; V156-A169 HydrophobicContact CG1-CB 4.03Å; V156-V171 HydrophobicContact CG1-CG2 4.21Å; V156-V171 HydrophobicContact CG2-CG1 4.45Å; V156-V171 HydrophobicContact CG2-CG2 4.33Å
157K94.9Very high86.9Confident146 Ų14672.8 Ų72.864%0.63541%0.414SS*.EExtended strand (participates in β ladder)trans-120.2106.2179.4-67.2-177.3-179178.30110.6S159 A169 V170K157-S159 PolarHBondContact O-N 3.34Å; K157-A169 CarbonylContact O-C 3.41Å; K157-A169 VanDerWaalsContact O-CA 3.31Å; K157-A169 WeakPolarHBondContact O-CA 3.5Å; K157-V170 PolarHBondContact N-O 3.43Å; K157-V170 PolarHBondContact O-N 2.99Å
158F93.2Very high86.9Confident68 Ų6872.8 Ų72.830%0.29842%0.416SS..EExtended strand (participates in β ladder)trans-69.1127.5175.2-71-85.4000111.7L135 V139 D140 E141 L144 V156 K167 S168 A169L135-F158 HydrophobicContact CD1-CE1 4.07Å; V139-F158 HydrophobicContact CG1-CE1 4.44Å; V139-F158 HydrophobicContact CG1-CZ 4.32Å; D140-F158 VanDerWaalsContact C-CZ 3.49Å; E141-F158 HydrophobicContact CB-CE2 4.12Å; L144-F158 HydrophobicContact CD1-CE1 3.79Å; L144-F158 HydrophobicContact CD1-CE2 4.45Å; L144-F158 HydrophobicContact CD1-CZ 3.57Å; V156-F158 HydrophobicContact CG1-CE2 4.13Å; V156-F158 HydrophobicContact CG1-CZ 4.44Å; F158-K167 HydrophobicContact CD1-CB 4.31Å; F158-K167 HydrophobicContact CD1-CD 4.04Å; F158-K167 HydrophobicContact CE1-CD 4.12Å; F158-S168 WeakPolarHBondContact CA-O 3.02Å; F158-A169 HydrophobicContact CD1-CB 3.81Å; F158-A169 HydrophobicContact CE1-CB 4.07Å; F158-A169 HydrophobicContact CG-CB 4.26Å
159S87.3Confident86.9Confident57 Ų5772.2 Ų72.240%0.39941%0.414SS..EExtended strand (participates in β ladder)trans-92.7105.2165.154.80000108.5K157 S168K157-S159 PolarHBondContact O-N 3.34Å; S159-S168 PolarHBondContact N-O 3.17Å; S159-S168 WeakPolarHBondContact OG-CB 3.25Å; S159-S168 PolarHBondContact OG-O 3.25Å
160H75.9Confident87.1Confident141 Ų14172.9 Ų72.965%0.65341%0.413SS*.  trans-99.6103.2174.9-177.359.4000110.6
161E75.3Confident87.7Confident123 Ų12370 Ų7058%0.57539%0.389SS*.  trans-86.5130.8163.5-80.1-149.4139.900110.8G163 Q164E161-G163 PolarHBondContact O-N 3.27Å; E161-G163 VanDerWaalsContact O-N 3.13Å; E161-Q164 HydrophobicContact CB-CG 3.93Å; E161-Q164 PolarHBondContact O-N 3.48Å; E161-Q164 PolarHBondContact OE2-NE2 3.39Å
162P72.6Confident88Confident122 Ų12270.1 Ų70.179%0.79238%0.381SS*.THydrogen-bonded Turntrans-68112.8179.227.5-33.8000111
163G73Confident88.2Confident77 Ų7767.3 Ų67.379%0.79437%0.366SS*.THydrogen-bonded Turntrans114.7-7.6176.800000115.2E161E161-G163 PolarHBondContact O-N 3.27Å; E161-G163 VanDerWaalsContact O-N 3.13Å
164Q75.9Confident88.1Confident95 Ų9572.8 Ų72.844%0.44439%0.388SS..  trans-75136.8169.5-62.1-169.710.700110.6E161 F166E161-Q164 HydrophobicContact CB-CG 3.93Å; E161-Q164 PolarHBondContact O-N 3.48Å; E161-Q164 PolarHBondContact OE2-NE2 3.39Å; Q164-F166 VanDerWaalsContact C-N 3.3Å
165L79.9Confident88.1Confident143 Ų14372.3 Ų72.375%0.74939%0.385SS*.SBendtrans-73.1-23.6177.6-73.6171.4000113.1P137P137-L165 WeakPolarHBondContact CG-O 3.24Å
166F85.5Confident88Confident97 Ų9774.9 Ų74.943%0.42539%0.393SS..SBendtrans-120.1147.7-178.8-54.6-60.8000109.5L135 Q164 T198L135-F166 CarbonylContact O-C 3.57Å; L135-F166 WeakPolarHBondContact O-CA 3.3Å; Q164-F166 VanDerWaalsContact C-N 3.3Å; F166-T198 HydrophobicContact CD1-CG2 3.68Å; F166-T198 HydrophobicContact CE1-CG2 3.25Å; F166-T198 HydrophobicContact CZ-CG2 3.89Å
167K91.5Very high87.9Confident56 Ų5681.4 Ų81.424%0.24342%0.423CS..EExtended strand (participates in β ladder)trans-79.4156.1171.4-76.2171.1168.61720109.8L135 P137 V139 F158L135-K167 HydrophobicContact CB-CB 3.91Å; L135-K167 WeakPolarHBondContact CB-O 3.49Å; L135-K167 PolarHBondContact N-O 3.46Å; L135-K167 VanDerWaalsContact N-O 3.12Å; L135-K167 PolarHBondContact O-N 2.92Å; P137-K167 VanDerWaalsContact O-CE 3.31Å; P137-K167 WeakPolarHBondContact O-CE 3.39Å; P137-K167 PolarHBondContact O-NZ 3.27Å; V139-K167 PolarHBondContact O-NZ 3.03Å; F158-K167 HydrophobicContact CD1-CB 4.31Å; F158-K167 HydrophobicContact CD1-CD 4.04Å; F158-K167 HydrophobicContact CE1-CD 4.12Å
168S93.3Very high87.9Confident26 Ų2675.1 Ų75.118%0.18240%0.397CS..EExtended strand (participates in β ladder)trans-124.8155.6160.7-60.20000109.1V132 F158 S159V132-S168 CarbonylContact O-C 3.18Å; V132-S168 VanDerWaalsContact O-CA 3.25Å; V132-S168 WeakPolarHBondContact O-CA 3.34Å; F158-S168 WeakPolarHBondContact CA-O 3.02Å; S159-S168 PolarHBondContact N-O 3.17Å; S159-S168 WeakPolarHBondContact OG-CB 3.25Å; S159-S168 PolarHBondContact OG-O 3.25Å
169A95Very high88Confident0 Ų071.9 Ų71.90%038%0.383CS..EExtended strand (participates in β ladder)trans-143.5147.9178.200000111.3V132 L135 L144 V156 K157 F158V132-A169 PolarHBondContact N-O 3.22Å; V132-A169 PolarHBondContact O-N 2.97Å; L135-A169 HydrophobicContact CD1-CB 3.8Å; L144-A169 HydrophobicContact CD1-CB 3.98Å; V156-A169 HydrophobicContact CG1-CB 4.03Å; K157-A169 CarbonylContact O-C 3.41Å; K157-A169 VanDerWaalsContact O-CA 3.31Å; K157-A169 WeakPolarHBondContact O-CA 3.5Å; F158-A169 HydrophobicContact CD1-CB 3.81Å; F158-A169 HydrophobicContact CE1-CB 4.07Å; F158-A169 HydrophobicContact CG-CB 4.26Å
170V95.1Very high88.3Confident37 Ų3772.9 Ų72.922%0.22438%0.381CS..EExtended strand (participates in β ladder)trans-97.7118.8166.8-178.10000107.8C129 V130 L131 K157C129-V170 HydrophobicContact CB-CG1 4.24Å; V130-V170 CarbonylContact O-C 3.06Å; V130-V170 WeakPolarHBondContact O-CA 3.35Å; L131-V170 HydrophobicContact CD1-CG2 3.98Å; K157-V170 PolarHBondContact N-O 3.43Å; K157-V170 PolarHBondContact O-N 2.99Å
171V95.6Very high89.2Confident0 Ų068 Ų680%037%0.366CS..EExtended strand (participates in β ladder)trans-103.2123.1177.2-178.30000108.2C129 V130 V132 F148 V153 V156 F173C129-V171 WeakPolarHBondContact CA-O 3.37Å; V130-V171 PolarHBondContact N-O 2.7Å; V130-V171 PolarHBondContact O-N 2.71Å; V132-V171 HydrophobicContact CB-CG2 4.46Å; V132-V171 HydrophobicContact CG2-CB 4.29Å; V132-V171 HydrophobicContact CG2-CG2 3.68Å; F148-V171 HydrophobicContact CD2-CG1 4.25Å; F148-V171 HydrophobicContact CD2-CG2 4.31Å; F148-V171 HydrophobicContact CE2-CG2 4Å; V153-V171 HydrophobicContact CG1-CG1 3.88Å; V153-V171 HydrophobicContact CG2-CG1 3.97Å; V156-V171 HydrophobicContact CG1-CG2 4.21Å; V156-V171 HydrophobicContact CG2-CG1 4.45Å; V156-V171 HydrophobicContact CG2-CG2 4.33Å; V171-F173 HydrophobicContact CB-CE2 4.03Å; V171-F173 HydrophobicContact CG1-CD2 4.06Å; V171-F173 HydrophobicContact CG1-CE2 3.55Å; V171-F173 HydrophobicContact CG1-CZ 3.85Å
172Q94.9Very high90.1Very high80 Ų8062.5 Ų62.537%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-96.9121.1174.7-173.3179.318.900109.3V154 S155V154-Q172 HydrophobicContact CB-CB 4.38Å; V154-Q172 HydrophobicContact CB-CG 4.24Å; V154-Q172 WeakPolarHBondContact CB-O 3.38Å; V154-Q172 PolarHBondContact N-O 2.78Å; S155-Q172 PolarHBondContact O-N 3.17Å; S155-Q172 PolarHBondContact OG-OE1 2.99Å
173F95.3Very high91.2Very high9 Ų958.1 Ų58.14%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-94.3156.8174.9-69.4-95.1000111.7G128 V130 F148 D152 V153 V171 T175 A179 A182G128-F173 PolarHBondContact O-N 3.24Å; V130-F173 HydrophobicContact CB-CD2 4.47Å; V130-F173 HydrophobicContact CB-CE2 4.04Å; V130-F173 HydrophobicContact CG2-CD2 3.83Å; V130-F173 HydrophobicContact CG2-CE2 3.67Å; F148-F173 HydrophobicContact CB-CE1 4.01Å; F148-F173 HydrophobicContact CB-CZ 4.05Å; F148-F173 HydrophobicContact CD1-CZ 4.4Å; F148-F173 HydrophobicContact CD2-CZ 4.34Å; F148-F173 HydrophobicContact CG-CE1 4.48Å; F148-F173 HydrophobicContact CG-CZ 4.03Å; D152-F173 HydrophobicContact CB-CD1 4.41Å; D152-F173 CarbonylContact O-C 3.6Å; D152-F173 WeakPolarHBondContact O-CA 3.25Å; V153-F173 HydrophobicContact CG2-CD1 4.44Å; V153-F173 HydrophobicContact CG2-CE1 4.12Å; V171-F173 HydrophobicContact CB-CE2 4.03Å; V171-F173 HydrophobicContact CG1-CD2 4.06Å; V171-F173 HydrophobicContact CG1-CE2 3.55Å; V171-F173 HydrophobicContact CG1-CZ 3.85Å; F173-T175 VanDerWaalsContact C-N 3.26Å; F173-T175 PolarHBondContact O-N 2.92Å; F173-A179 HydrophobicContact CB-CB 4.08Å; F173-A179 HydrophobicContact CD2-CB 3.77Å; F173-A179 HydrophobicContact CE2-CB 4.5Å; F173-A179 HydrophobicContact CG-CB 4.04Å; F173-A182 HydrophobicContact CE1-CB 3.71Å; F173-A182 HydrophobicContact CE2-CB 4.23Å; F173-A182 HydrophobicContact CZ-CB 3.45Å; F173-A182 VanDerWaalsContact CZ-CB 3.45Å
174K93.7Very high92.1Very high133 Ų13361 Ų6158%0.57831%0.308SS*.SBendtrans-65.3-28.2177.2-73.9-179.4-176.5173.70113.5S151 D152 V154S151-K174 VanDerWaalsContact O-CD 3.3Å; S151-K174 WeakPolarHBondContact O-CD 3.5Å; S151-K174 WeakPolarHBondContact O-CE 3.24Å; S151-K174 PolarHBondContact O-NZ 3.18Å; D152-K174 PolarHBondContact O-N 2.85Å; V154-K174 HydrophobicContact CG2-CB 4.23Å; V154-K174 HydrophobicContact CG2-CG 3.42Å; V154-K174 VanDerWaalsContact CG2-CG 3.42Å
175T92.8Very high93Very high72 Ų7260.7 Ų60.744%0.44232%0.316SS..SBendtrans-140152.417775.30000111F173 H177 S178 A179F173-T175 VanDerWaalsContact C-N 3.26Å; F173-T175 PolarHBondContact O-N 2.92Å; T175-H177 PolarHBondContact O-N 3.13Å; T175-H177 PolarHBondContact OG1-N 2.79Å; T175-S178 PolarHBondContact N-OG 3.1Å; T175-S178 VanDerWaalsContact N-OG 3.17Å; T175-S178 PolarHBondContact O-N 2.81Å; T175-S178 PolarHBondContact O-OG 3.15Å; T175-S178 PolarHBondContact OG1-N 3.39Å; T175-S178 PolarHBondContact OG1-OG 3.48Å; T175-A179 PolarHBondContact O-N 3.38Å; T175-A179 VanDerWaalsContact O-N 3.17Å
176K93.2Very high93.7Very high83 Ų8357 Ų5736%0.36129%0.292SS..Hα-helixtrans-54.5-40.3168.5-171.3175-173151.80112.7D127 S178 A179 E180D127-K176 HydrophobicContact CB-CB 4.3Å; D127-K176 HydrophobicContact CB-CD 4.15Å; D127-K176 WeakPolarHBondContact O-CA 3.16Å; D127-K176 WeakPolarHBondContact O-CB 3.3Å; D127-K176 PolarHBondContact O-N 2.77Å; D127-K176 IonicContact OD1-NZ 3.91Å; D127-K176 PolarHBondContact OD1-NZ 2.82Å; K176-S178 PolarHBondContact O-N 3.05Å; K176-A179 WeakPolarHBondContact O-CB 3.11Å; K176-A179 PolarHBondContact O-N 2.9Å; K176-A179 VanDerWaalsContact O-N 3.13Å; K176-E180 WeakPolarHBondContact CE-OE1 3.37Å; K176-E180 HydrophobicContact CG-CG 4.44Å; K176-E180 WeakPolarHBondContact CG-OE1 3.34Å; K176-E180 WeakPolarHBondContact O-CG 3.17Å; K176-E180 PolarHBondContact O-N 2.77Å
177H93.2Very high94Very high144 Ų14457.2 Ų57.267%0.66730%0.295SS*.Hα-helixtrans-63.8-40.9-179.8-173.756.8000112.3T175 A179 E180 A181T175-H177 PolarHBondContact O-N 3.13Å; T175-H177 PolarHBondContact OG1-N 2.79Å; H177-A179 VanDerWaalsContact C-N 3.34Å; H177-E180 PolarHBondContact O-N 3.45Å; H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.15Å; H177-A181 PolarHBondContact O-N 3.13Å
178S94.4Very high94.1Very high15 Ų1556 Ų5611%0.10530%0.298CS..Hα-helixtrans-64.8-35.6172.6410000112.6T175 K176 A182T175-S178 PolarHBondContact N-OG 3.1Å; T175-S178 VanDerWaalsContact N-OG 3.17Å; T175-S178 PolarHBondContact O-N 2.81Å; T175-S178 PolarHBondContact O-OG 3.15Å; T175-S178 PolarHBondContact OG1-N 3.39Å; T175-S178 PolarHBondContact OG1-OG 3.48Å; K176-S178 PolarHBondContact O-N 3.05Å; S178-A182 VanDerWaalsContact O-CB 3.25Å; S178-A182 WeakPolarHBondContact O-CB 3.2Å; S178-A182 PolarHBondContact O-N 2.89Å
179A94.5Very high94.1Very high0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-65.4-46.1174.200000112.4V130 F173 T175 K176 H177 A182 I183 L204V130-A179 HydrophobicContact CG2-CB 3.57Å; F173-A179 HydrophobicContact CB-CB 4.08Å; F173-A179 HydrophobicContact CD2-CB 3.77Å; F173-A179 HydrophobicContact CE2-CB 4.5Å; F173-A179 HydrophobicContact CG-CB 4.04Å; T175-A179 PolarHBondContact O-N 3.38Å; T175-A179 VanDerWaalsContact O-N 3.17Å; K176-A179 WeakPolarHBondContact O-CB 3.11Å; K176-A179 PolarHBondContact O-N 2.9Å; K176-A179 VanDerWaalsContact O-N 3.13Å; H177-A179 VanDerWaalsContact C-N 3.34Å; A179-A182 PolarHBondContact O-N 2.69Å; A179-I183 WeakPolarHBondContact O-CG1 3.38Å; A179-I183 PolarHBondContact O-N 3.39Å; A179-L204 HydrophobicContact CB-CD1 4.43Å
180E94.1Very high94Very high77 Ų7764.6 Ų64.636%0.3633%0.332SS..Hα-helixtrans-65.9-41.5177.2-70.3168.6176.600111.7K176 H177 A182 I183 N184 L204K176-E180 WeakPolarHBondContact CE-OE1 3.37Å; K176-E180 HydrophobicContact CG-CG 4.44Å; K176-E180 WeakPolarHBondContact CG-OE1 3.34Å; K176-E180 WeakPolarHBondContact O-CG 3.17Å; K176-E180 PolarHBondContact O-N 2.77Å; H177-E180 PolarHBondContact O-N 3.45Å; E180-A182 VanDerWaalsContact C-N 3.35Å; E180-I183 PolarHBondContact O-N 3.05Å; E180-N184 WeakPolarHBondContact O-CB 3.49Å; E180-N184 VanDerWaalsContact O-CG 3.3Å; E180-N184 PolarHBondContact O-N 3.04Å; E180-N184 PolarHBondContact O-ND2 3.35Å; E180-N184 VanDerWaalsContact O-ND2 3.13Å; E180-L204 HydrophobicContact CG-CD1 4.2Å
181A94.1Very high93.9Very high40 Ų4063.5 Ų63.533%0.33133%0.325SS..Hα-helixtrans-63.5-38.7174.100000112.2H177 N184 S185H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.15Å; H177-A181 PolarHBondContact O-N 3.13Å; A181-N184 PolarHBondContact O-N 3.13Å; A181-S185 VanDerWaalsContact O-CB 3.29Å; A181-S185 WeakPolarHBondContact O-CB 3.21Å; A181-S185 PolarHBondContact O-N 2.87Å; A181-S185 PolarHBondContact O-OG 3.42Å
182A94.6Very high93.7Very high6 Ų667.8 Ų67.85%0.0535%0.347CS..Hα-helixtrans-65-46.8176.100000111.7F148 F173 S178 A179 E180 N184 S185 Y186 M202F148-A182 HydrophobicContact CD1-CB 4.37Å; F173-A182 HydrophobicContact CE1-CB 3.71Å; F173-A182 HydrophobicContact CE2-CB 4.23Å; F173-A182 HydrophobicContact CZ-CB 3.45Å; F173-A182 VanDerWaalsContact CZ-CB 3.45Å; S178-A182 VanDerWaalsContact O-CB 3.25Å; S178-A182 WeakPolarHBondContact O-CB 3.2Å; S178-A182 PolarHBondContact O-N 2.89Å; A179-A182 PolarHBondContact O-N 2.69Å; E180-A182 VanDerWaalsContact C-N 3.35Å; A182-N184 PolarHBondContact O-N 2.91Å; A182-S185 PolarHBondContact O-N 2.79Å; A182-Y186 HydrophobicContact CB-CD2 4.5Å; A182-Y186 WeakPolarHBondContact O-CB 3.39Å; A182-Y186 WeakPolarHBondContact O-CD2 3.39Å; A182-Y186 PolarHBondContact O-N 2.82Å; A182-M202 HydrophobicContact CB-CE 3.98Å
183I94.6Very high93.5Very high30 Ų3067.4 Ų67.415%0.15435%0.348CS..Hα-helixtrans-55.1-52.3174-66.2163.9000110V130 A179 E180 S185 E187 M202 L204V130-I183 HydrophobicContact CG1-CD1 4.11Å; V130-I183 HydrophobicContact CG1-CG1 3.86Å; V130-I183 HydrophobicContact CG2-CD1 4.11Å; V130-I183 HydrophobicContact CG2-CG1 4.29Å; A179-I183 WeakPolarHBondContact O-CG1 3.38Å; A179-I183 PolarHBondContact O-N 3.39Å; E180-I183 PolarHBondContact O-N 3.05Å; I183-S185 PolarHBondContact O-N 3.44Å; I183-S185 VanDerWaalsContact O-N 3.14Å; I183-E187 VanDerWaalsContact O-CB 3.27Å; I183-E187 WeakPolarHBondContact O-CB 3.47Å; I183-E187 PolarHBondContact O-N 3.41Å; I183-M202 HydrophobicContact CB-CB 4.47Å; I183-M202 HydrophobicContact CG1-CB 3.95Å; I183-M202 HydrophobicContact CG1-CE 4.24Å; I183-M202 HydrophobicContact CG2-CB 4.46Å; I183-L204 HydrophobicContact CD1-CB 4.03Å; I183-L204 HydrophobicContact CD1-CD1 3.76Å
184N93.6Very high93.2Very high139 Ų13970.4 Ų70.474%0.74338%0.381SS*.Hα-helixtrans-64.7-19.6-178-68.9-32000114.7E180 A181 A182E180-N184 WeakPolarHBondContact O-CB 3.49Å; E180-N184 VanDerWaalsContact O-CG 3.3Å; E180-N184 PolarHBondContact O-N 3.04Å; E180-N184 PolarHBondContact O-ND2 3.35Å; E180-N184 VanDerWaalsContact O-ND2 3.13Å; A181-N184 PolarHBondContact O-N 3.13Å; A182-N184 PolarHBondContact O-N 2.91Å
185S94.1Very high92.8Very high87 Ų8768.4 Ų68.461%0.60839%0.39SS*.Hα-helixtrans-104.1-26.1-175.8-52.10000114A181 A182 I183A181-S185 VanDerWaalsContact O-CB 3.29Å; A181-S185 WeakPolarHBondContact O-CB 3.21Å; A181-S185 PolarHBondContact O-N 2.87Å; A181-S185 PolarHBondContact O-OG 3.42Å; A182-S185 PolarHBondContact O-N 2.79Å; I183-S185 PolarHBondContact O-N 3.44Å; I183-S185 VanDerWaalsContact O-N 3.14Å
186Y94.4Very high92.4Very high65 Ų6568 Ų6826%0.25539%0.388SS..Hα-helixtrans-121.6-0.2-172.1-63.7-93.8000114I147 F148 A182 G188 Y189I147-Y186 HydrophobicContact CG2-CD1 3.76Å; I147-Y186 HydrophobicContact CG2-CE1 3.69Å; I147-Y186 WeakPolarHBondContact O-CE1 3.42Å; I147-Y186 PolarHBondContact O-OH 3.39Å; F148-Y186 HydrophobicContact CD1-CD1 4.35Å; F148-Y186 AromaticContact CD1-CD2 3.96Å; F148-Y186 HydrophobicContact CD1-CD2 3.96Å; F148-Y186 HydrophobicContact CD1-CE2 4.28Å; F148-Y186 HydrophobicContact CD1-CG 4Å; F148-Y186 HydrophobicContact CE1-CD1 4.34Å; F148-Y186 HydrophobicContact CE1-CD2 4.23Å; F148-Y186 AromaticContact CE1-CG 3.9Å; F148-Y186 HydrophobicContact CE1-CG 3.9Å; A182-Y186 HydrophobicContact CB-CD2 4.5Å; A182-Y186 WeakPolarHBondContact O-CB 3.39Å; A182-Y186 WeakPolarHBondContact O-CD2 3.39Å; A182-Y186 PolarHBondContact O-N 2.82Å; Y186-G188 PolarHBondContact O-N 2.83Å; Y186-Y189 AromaticContact CD1-CD2 3.99Å; Y186-Y189 HydrophobicContact CD1-CD2 3.99Å; Y186-Y189 HydrophobicContact CD1-CE2 4.48Å; Y186-Y189 HydrophobicContact CD1-CG 4.25Å; Y186-Y189 WeakPolarHBondContact O-CB 3.49Å; Y186-Y189 PolarHBondContact O-N 3.49Å
187E92.7Very high92.3Very high102 Ų10270.7 Ų70.748%0.47740%0.399SS..THydrogen-bonded Turntrans-56.7124.3167.6-172.161.5-157.200110.3I183 Y189 M202I183-E187 VanDerWaalsContact O-CB 3.27Å; I183-E187 WeakPolarHBondContact O-CB 3.47Å; I183-E187 PolarHBondContact O-N 3.41Å; E187-Y189 VanDerWaalsContact C-N 3.32Å; E187-Y189 PolarHBondContact O-N 3.19Å; E187-M202 WeakPolarHBondContact OE2-CA 3.27Å; E187-M202 WeakPolarHBondContact OE2-CB 3.29Å; E187-M202 PolarHBondContact OE2-N 3.23Å
188G91.9Very high92.2Very high30 Ų3064.6 Ų64.631%0.30937%0.372SS..THydrogen-bonded Turntrans78.65.8-176.500000115.4Y186 E190 R199 I200Y186-G188 PolarHBondContact O-N 2.83Å; G188-E190 PolarHBondContact O-N 3.17Å; G188-R199 WeakPolarHBondContact O-CG 3.32Å; G188-I200 WeakPolarHBondContact CA-O 3.45Å; G188-I200 PolarHBondContact N-O 2.81Å
189Y93.5Very high92.2Very high108 Ų10870.6 Ų70.642%0.42439%0.392SS..PPolyproline II helixtrans-56.7129178-175.2-90.5000111.5Y186 E187 L191 R199 I200Y186-Y189 AromaticContact CD1-CD2 3.99Å; Y186-Y189 HydrophobicContact CD1-CD2 3.99Å; Y186-Y189 HydrophobicContact CD1-CE2 4.48Å; Y186-Y189 HydrophobicContact CD1-CG 4.25Å; Y186-Y189 WeakPolarHBondContact O-CB 3.49Å; Y186-Y189 PolarHBondContact O-N 3.49Å; E187-Y189 VanDerWaalsContact C-N 3.32Å; E187-Y189 PolarHBondContact O-N 3.19Å; Y189-L191 HydrophobicContact CD1-CD2 4.32Å; Y189-L191 HydrophobicContact CE1-CD2 4.16Å; Y189-R199 WeakPolarHBondContact O-CA 3.34Å; Y189-I200 HydrophobicContact CD1-CD1 3.94Å; Y189-I200 PolarHBondContact O-N 3.49Å
190E93.3Very high92.1Very high99 Ų9970.7 Ų70.746%0.46339%0.393SS..EExtended strand (participates in β ladder)trans-84.8119.1-176.9-76.2-175.3-173.300112.1G188 T198 R199G188-E190 PolarHBondContact O-N 3.17Å; E190-T198 CarbonylContact C-O 3.58Å; E190-T198 WeakPolarHBondContact CA-O 3.3Å; E190-R199 HydrophobicContact CG-CG 3.63Å; E190-R199 IonicContact OE1-CZ 2.65Å; E190-R199 VanDerWaalsContact OE1-CZ 3.27Å; E190-R199 IonicContact OE1-NE 3.26Å; E190-R199 PolarHBondContact OE1-NE 3.49Å; E190-R199 IonicContact OE1-NH2 2.63Å; E190-R199 PolarHBondContact OE1-NH2 2.61Å
191L92.5Very high92Very high15 Ų1569.4 Ų69.48%0.07939%0.392CS..EExtended strand (participates in β ladder)trans-94.3131.9167.9-68.7173.9000109.4L135 L136 V139 I147 Y189 K197 T198 I200L135-L191 HydrophobicContact CD2-CD1 3.9Å; L136-L191 HydrophobicContact CD1-CB 4.02Å; L136-L191 HydrophobicContact CG-CB 4.32Å; V139-L191 HydrophobicContact CG2-CD1 4Å; I147-L191 HydrophobicContact CD1-CD2 3.8Å; Y189-L191 HydrophobicContact CD1-CD2 4.32Å; Y189-L191 HydrophobicContact CE1-CD2 4.16Å; L191-K197 CarbonylContact O-C 3.6Å; L191-K197 VanDerWaalsContact O-CA 3.27Å; L191-K197 WeakPolarHBondContact O-CA 3.46Å; L191-T198 PolarHBondContact N-O 3.44Å; L191-T198 PolarHBondContact O-N 3.29Å; L191-I200 HydrophobicContact CD1-CD1 3.82Å; L191-I200 HydrophobicContact CD1-CG1 3.67Å; L191-I200 HydrophobicContact CD2-CD1 4.22Å; L191-I200 HydrophobicContact CG-CD1 3.9Å; L191-I200 HydrophobicContact CG-CG1 3.87Å
192D93.1Very high92Very high89 Ų8967.9 Ų67.948%0.47638%0.378SS..EExtended strand (participates in β ladder)trans-134.4115.9176.9-174.810.1000109.3G194 K197D192-G194 VanDerWaalsContact C-N 3.34Å; D192-G194 WeakPolarHBondContact OD1-CA 3.39Å; D192-G194 PolarHBondContact OD1-N 2.74Å; D192-K197 HydrophobicContact CB-CG 3.96Å; D192-K197 WeakPolarHBondContact OD2-CE 3.46Å; D192-K197 IonicContact OD2-NZ 3.86Å
193D89Confident91.9Very high72 Ų7274 Ų7439%0.38541%0.406SS..  trans-95.411.3171.971.20.5000113.2L136 S138 A195 T196L136-D193 HydrophobicContact CD1-CB 3.84Å; S138-D193 PolarHBondContact OG-OD2 2.83Å; D193-A195 PolarHBondContact O-N 2.74Å; D193-A195 PolarHBondContact OD1-N 3.02Å; D193-A195 VanDerWaalsContact OD1-N 3.17Å; D193-T196 PolarHBondContact N-O 2.95Å; D193-T196 PolarHBondContact OD1-N 3.44Å; D193-T196 PolarHBondContact OD1-OG1 2.83Å; D193-T196 PolarHBondContact OD2-OG1 2.79Å
194G89.5Confident91.6Very high72 Ų7275.7 Ų75.774%0.74242%0.415SS*.SBendtrans81.1-15.1-178.400000114D192D192-G194 VanDerWaalsContact C-N 3.34Å; D192-G194 WeakPolarHBondContact OD1-CA 3.39Å; D192-G194 PolarHBondContact OD1-N 2.74Å
195A85.9Confident91Very high91 Ų9173 Ų7375%0.75240%0.397SS*.SBendtrans-106.6-35.117200000111.8D193D193-A195 PolarHBondContact O-N 2.74Å; D193-A195 PolarHBondContact OD1-N 3.02Å; D193-A195 VanDerWaalsContact OD1-N 3.17Å
196T85.2Confident90Very high65 Ų6577 Ų7740%0.39941%0.406SS..  trans-139.1138.6-17544.60000111.7L136 D193L136-T196 WeakPolarHBondContact CD2-OG1 3.36Å; D193-T196 PolarHBondContact N-O 2.95Å; D193-T196 PolarHBondContact OD1-N 3.44Å; D193-T196 PolarHBondContact OD1-OG1 2.83Å; D193-T196 PolarHBondContact OD2-OG1 2.79Å
197K90.4Very high88.3Confident139 Ų13975.5 Ų75.560%0.60441%0.411SS*.EExtended strand (participates in β ladder)trans-111.7131.6173.7-70.5-170.7166.6-165.50110.6L191 D192L191-K197 CarbonylContact O-C 3.6Å; L191-K197 VanDerWaalsContact O-CA 3.27Å; L191-K197 WeakPolarHBondContact O-CA 3.46Å; D192-K197 HydrophobicContact CB-CG 3.96Å; D192-K197 WeakPolarHBondContact OD2-CE 3.46Å; D192-K197 IonicContact OD2-NZ 3.86Å
198T91.8Very high86Confident15 Ų1577.7 Ų77.79%0.09243%0.426CS..EExtended strand (participates in β ladder)trans-133.6164.6171.359.60000111.1G134 L136 F166 E190 L191G134-T198 VanDerWaalsContact O-CB 3.23Å; G134-T198 WeakPolarHBondContact O-CB 3.39Å; G134-T198 PolarHBondContact O-OG1 2.82Å; L136-T198 HydrophobicContact CD2-CG2 3.51Å; L136-T198 HydrophobicContact CG-CG2 4.33Å; F166-T198 HydrophobicContact CD1-CG2 3.68Å; F166-T198 HydrophobicContact CE1-CG2 3.25Å; F166-T198 HydrophobicContact CZ-CG2 3.89Å; E190-T198 CarbonylContact C-O 3.58Å; E190-T198 WeakPolarHBondContact CA-O 3.3Å; L191-T198 PolarHBondContact N-O 3.44Å; L191-T198 PolarHBondContact O-N 3.29Å
199R92.6Very high83.8Confident141 Ų14181.7 Ų81.753%0.53244%0.444SS..EExtended strand (participates in β ladder)trans-109.7135.8168.5-73.4-178.8-179.3172-1.9109.2G188 Y189 E190 E257G188-R199 WeakPolarHBondContact O-CG 3.32Å; Y189-R199 WeakPolarHBondContact O-CA 3.34Å; E190-R199 HydrophobicContact CG-CG 3.63Å; E190-R199 IonicContact OE1-CZ 2.65Å; E190-R199 VanDerWaalsContact OE1-CZ 3.27Å; E190-R199 IonicContact OE1-NE 3.26Å; E190-R199 PolarHBondContact OE1-NE 3.49Å; E190-R199 IonicContact OE1-NH2 2.63Å; E190-R199 PolarHBondContact OE1-NH2 2.61Å; R199-E257 IonicContact NH1-OE1 3.72Å
200I93.6Very high81.3Confident2 Ų284.3 Ų84.31%0.0146%0.464CS..  trans-71.6137.6172.8-58.7-178000109.1V132 G133 L135 G188 Y189 L191 M202V132-I200 HydrophobicContact CG1-CG2 3.43Å; V132-I200 VanDerWaalsContact CG1-CG2 3.43Å; G133-I200 WeakPolarHBondContact O-CA 3.48Å; L135-I200 HydrophobicContact CD2-CD1 4.28Å; L135-I200 HydrophobicContact CD2-CG1 4.2Å; G188-I200 WeakPolarHBondContact CA-O 3.45Å; G188-I200 PolarHBondContact N-O 2.81Å; Y189-I200 HydrophobicContact CD1-CD1 3.94Å; Y189-I200 PolarHBondContact O-N 3.49Å; L191-I200 HydrophobicContact CD1-CD1 3.82Å; L191-I200 HydrophobicContact CD1-CG1 3.67Å; L191-I200 HydrophobicContact CD2-CD1 4.22Å; L191-I200 HydrophobicContact CG-CD1 3.9Å; L191-I200 HydrophobicContact CG-CG1 3.87Å; I200-M202 HydrophobicContact CG2-CG 3.77Å; I200-M202 HydrophobicContact CG2-SD 4.34Å
201S92.6Very high78.6Confident51 Ų5183.2 Ų83.236%0.35748%0.48SS..EExtended strand (participates in β ladder)trans-119.3131169.163.20000109.9V132 G133V132-S201 WeakPolarHBondContact CA-O 3.4Å; G133-S201 PolarHBondContact N-O 3.19Å; G133-S201 PolarHBondContact O-N 3.12Å
202M93.7Very high76.1Confident7 Ų791.3 Ų91.33%0.03452%0.517CS..EExtended strand (participates in β ladder)trans-124.3132.3-171.8-56.5-177.661.600110.9V130 L131 V132 F148 A182 I183 E187 I200V130-M202 HydrophobicContact CG1-CB 4.01Å; V130-M202 HydrophobicContact CG1-CE 3.81Å; L131-M202 CarbonylContact O-C 3.45Å; L131-M202 WeakPolarHBondContact O-CA 3.31Å; V132-M202 HydrophobicContact CG1-CG 4.47Å; V132-M202 HydrophobicContact CG2-CE 4.3Å; V132-M202 HydrophobicContact CG2-CG 4.43Å; F148-M202 HydrophobicContact CD1-CE 4.26Å; F148-M202 HydrophobicContact CE1-CE 3.48Å; F148-M202 VanDerWaalsContact CE1-CE 3.48Å; F148-M202 HydrophobicContact CE1-SD 3.61Å; F148-M202 HydrophobicContact CZ-CE 3.69Å; F148-M202 HydrophobicContact CZ-SD 3.88Å; A182-M202 HydrophobicContact CB-CE 3.98Å; I183-M202 HydrophobicContact CB-CB 4.47Å; I183-M202 HydrophobicContact CG1-CB 3.95Å; I183-M202 HydrophobicContact CG1-CE 4.24Å; I183-M202 HydrophobicContact CG2-CB 4.46Å; E187-M202 WeakPolarHBondContact OE2-CA 3.27Å; E187-M202 WeakPolarHBondContact OE2-CB 3.29Å; E187-M202 PolarHBondContact OE2-N 3.23Å; I200-M202 HydrophobicContact CG2-CG 3.77Å; I200-M202 HydrophobicContact CG2-SD 4.34Å
203Q91.5Very high73.2Confident136 Ų13692.1 Ų92.164%0.63653%0.529SS*.EExtended strand (participates in β ladder)trans-135.4136.3177.5-64.5-175.7700110.2V130 L131 F205V130-Q203 WeakPolarHBondContact CA-O 3.35Å; V130-Q203 WeakPolarHBondContact CG1-O 3.37Å; L131-Q203 PolarHBondContact N-O 2.86Å; L131-Q203 PolarHBondContact O-N 3.47Å; Q203-F205 PolarHBondContact O-N 3.41Å; Q203-F205 VanDerWaalsContact O-N 3.16Å
204L89.2Confident71.2Confident64 Ų6494.6 Ų94.634%0.33555%0.547SS..EExtended strand (participates in β ladder)trans-62.5118.9176-156.890.6000108.9A179 E180 I183 Q206A179-L204 HydrophobicContact CB-CD1 4.43Å; E180-L204 HydrophobicContact CG-CD1 4.2Å; I183-L204 HydrophobicContact CD1-CB 4.03Å; I183-L204 HydrophobicContact CD1-CD1 3.76Å; L204-Q206 PolarHBondContact O-N 3.06Å
205F80.9Confident68.7Low82 Ų8298 Ų9836%0.3655%0.548SS..  trans-79.889.8-175.3-170.5-97.6000109.7C129 L131 Q203 G207C129-F205 HydrophobicContact CB-CB 3.9Å; C129-F205 HydrophobicContact CB-CD1 4.26Å; C129-F205 HydrophobicContact CB-CG 4.5Å; C129-F205 WeakPolarHBondContact O-CB 3.48Å; C129-F205 PolarHBondContact O-N 2.94Å; L131-F205 HydrophobicContact CB-CD2 4.16Å; Q203-F205 PolarHBondContact O-N 3.41Å; Q203-F205 VanDerWaalsContact O-N 3.16Å; F205-G207 VanDerWaalsContact C-N 3.31Å; F205-G207 PolarHBondContact O-N 3.48Å
206Q72.6Confident67Low171 Ų17199 Ų9980%0.79955%0.547SS*.  trans-68.692.2169.3-67.6-1748.400108.9L204 D208L204-Q206 PolarHBondContact O-N 3.06Å; Q206-D208 PolarHBondContact O-N 3.37Å
207G59.7Low64.8Low35 Ų35102.1 Ų102.136%0.36157%0.568SS.*  trans-69.870.4178.800000112.8F205 V209F205-G207 VanDerWaalsContact C-N 3.31Å; F205-G207 PolarHBondContact O-N 3.48Å; G207-V209 PolarHBondContact O-N 3.31Å
208D44.1Very low62.1Low148 Ų148103 Ų10379%0.79158%0.579SS**  trans-76.152167.1-160.130.2000109.6Q206Q206-D208 PolarHBondContact O-N 3.37Å
209V44.7Very low60Low114 Ų114110.5 Ų110.569%0.69162%0.618SS**  trans-86.8124.9179179.30000107.9G207 G211G207-V209 PolarHBondContact O-N 3.31Å; V209-G211 PolarHBondContact O-N 2.82Å; V209-G211 VanDerWaalsContact O-N 3.15Å
210L41.6Very low57.4Low163 Ų163111.4 Ų111.485%0.85363%0.628SS**  trans-40.2118.9177.2-9265.1000111.5E212L210-E212 PolarHBondContact O-N 3.49Å; L210-E212 VanDerWaalsContact O-N 3.08Å
211G36.3Very low55Low76 Ų76117 Ų11778%0.78467%0.667SS**  trans-64.8109.3175.200000111.2V209 S213V209-G211 PolarHBondContact O-N 2.82Å; V209-G211 VanDerWaalsContact O-N 3.15Å; G211-S213 PolarHBondContact O-N 3.07Å; G211-S213 VanDerWaalsContact O-N 3.13Å
212E39.7Very low52.5Low184 Ų184121.9 Ų121.986%0.8669%0.689SS**  trans-68106.5165.4-127.9177.2172.400108.4L210 V214L210-E212 PolarHBondContact O-N 3.49Å; L210-E212 VanDerWaalsContact O-N 3.08Å; E212-V214 PolarHBondContact O-N 2.87Å
213S32.7Very low50.2Low106 Ų106126.2 Ų126.274%0.74173%0.726SS**  trans-74.791.1-173.9-172.40000111.2G211G211-S213 PolarHBondContact O-N 3.07Å; G211-S213 VanDerWaalsContact O-N 3.13Å
214V46.2Very low48.1Very low124 Ų124127.3 Ų127.375%0.75274%0.736SS**  trans-111104.1167.8-174.10000108.7E212 P216E212-V214 PolarHBondContact O-N 2.87Å; V214-P216 WeakPolarHBondContact O-CD 3.24Å
215N37.3Very low46.3Very low144 Ų144136 Ų13677%0.7777%0.765SS**PPolyproline II helixtrans-67.5124.8176.1-72.1-79.1000111.1
216P50.3Low44.7Very low113 Ų113141 Ų14173%0.73479%0.789SS**PPolyproline II helixtrans-88.9151.9159.230.6-21.4000111V214V214-P216 WeakPolarHBondContact O-CD 3.24Å
217P39.7Very low43.7Very low129 Ų129139.2 Ų139.284%0.83879%0.785SS**PPolyproline II helixtrans-77.4146.1-170.3-1430.3000114.1
218L33.8Very low43Very low157 Ų157145.2 Ų145.282%0.82280%0.804SS**PPolyproline II helixtrans-58.2129.3169.7-149.788.5000111.1
219L46.3Very low43.1Very low174 Ų174144.1 Ų144.191%0.91180%0.803SS**  trans-146.8128157.8-116170.9000110.9
220E38.2Very low43.1Very low160 Ų160147.3 Ų147.375%0.74881%0.81SS**  trans-86.3141.3-171.9-53.6170.2148.200111.3
221S44.7Very low43.3Very low118 Ų118151 Ų15183%0.82581%0.812SS**  trans-150.1106147.670.70000111.5
222N39.2Very low43.5Very low155 Ų155153.3 Ų153.383%0.82981%0.813SS**  trans-70.3140.2166.5-56.3-73.7000110.2
223A45.1Very low43.8Very low98 Ų98150.1 Ų150.181%0.8181%0.812SS**  trans-164.6120.1145.700000110.6
224D47.4Very low44.2Very low159 Ų159152.7 Ų152.785%0.8582%0.817SS**  trans-64.4146.1177.3-52-86000113.1
225R51.9Low43.6Very low246 Ų246150.4 Ų150.493%0.92882%0.819SS**  trans-160.2107.2137-122.5171.4175154.3-0.5113.7
226E48.2Very low43.7Very low187 Ų187152 Ų15287%0.87482%0.821SS**  trans-62.1142.4152.1-56171.8125.400108.9
227D49.9Very low43.4Very low134 Ų134152.4 Ų152.472%0.71782%0.821SS**  -167.6158.4104.5-147.80.8000113.4
228Q46.6Very low43.3Very low161 Ų161153.7 Ų153.775%0.75282%0.816SS**  trans-34.2152.9174.9-62.7155.674.100116
229T45.7Very low43.8Very low125 Ų125151.8 Ų151.877%0.76781%0.813SS**  -169.6137.467-62.40000114.2
230E44.9Very low43.2Very low180 Ų180152.9 Ų152.984%0.84181%0.805SS**  trans-12.9132.6158.1-49.4177.6160.700121
231R44.3Very low43.1Very low241 Ų241151.7 Ų151.791%0.90981%0.813SS**  -162.9134.1123.2-133.8171.6-178.6178.80.2113.4
232P42.2Very low42.6Very low124 Ų124152.7 Ų152.781%0.80581%0.805SS**  trans-84.8142.8174.733.9-34000111.7
233S44.2Very low42.7Very low118 Ų118153.3 Ų153.383%0.82581%0.808SS**  trans-139.6115.7168-163.90000111.2
234N42.4Very low43.2Very low159 Ų159155.5 Ų155.585%0.8581%0.805SS**  trans-27.6130.6-179-62.4-28.2000116.9H236N234-H236 PolarHBondContact O-N 2.94Å
235G33.7Very low44.1Very low76 Ų76154.5 Ų154.578%0.78480%0.795SS**PPolyproline II helixtrans-65.2127.8171.100000112.3
236H39.5Very low45.3Very low178 Ų178143.6 Ų143.682%0.82476%0.757SS**PPolyproline II helixtrans-79.9121.6156.2-171.4-32.1000107.2N234 E238N234-H236 PolarHBondContact O-N 2.94Å; H236-E238 PolarHBondContact O-N 3Å
237V43.5Very low47.1Very low122 Ų122137.2 Ų137.274%0.73973%0.73SS**PPolyproline II helixtrans-65.2119.4174.6175.30000108.5
238E37Very low48.9Very low155 Ų155132.6 Ų132.672%0.72471%0.707SS**PPolyproline II helixtrans-63.4125.5167.4178.3-172.6-125.700108.7H236 R240H236-E238 PolarHBondContact O-N 3Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 3.47Å
239P44.3Very low50.9Low117 Ų117131.8 Ų131.876%0.7670%0.704SS**  trans-69.697.6164.729.6-30.1000107.2C241P239-C241 PolarHBondContact O-N 2.67Å
240R34.6Very low53.1Low198 Ų198130.6 Ų130.675%0.74769%0.689SS**  trans-39.7140.1163.9-85176160.6180-6.4109.4E238 E242E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 3.47Å; R240-E242 HydrophobicContact CB-CG 4.11Å; R240-E242 PolarHBondContact O-N 2.87Å
241C35Very low55.4Low134 Ų134122 Ų12291%0.90565%0.65SS**  trans-62.482.9153.9-74.90000108.4P239P239-C241 PolarHBondContact O-N 2.67Å
242E36Very low57.7Low140 Ų140110.9 Ų110.965%0.65461%0.609SS**  trans-66.4135165.9-64.8-168155.100107.6R240 L244R240-E242 HydrophobicContact CB-CG 4.11Å; R240-E242 PolarHBondContact O-N 2.87Å; E242-L244 PolarHBondContact O-N 3.06Å
243N40.9Very low60.2Low168 Ų168107.4 Ų107.490%0.89859%0.59SS**  trans-69.176.9174.4-60.6-72.5000108.5E245N243-E245 PolarHBondContact O-N 2.91Å
244L55.1Low62.5Low143 Ų143103.3 Ų103.375%0.74956%0.562SS**  trans-65104.2175.3-84.3156.5000107.8E242E242-L244 PolarHBondContact O-N 3.06Å
245E65.7Low65Low138 Ų13895.8 Ų95.865%0.64552%0.521SS*.PPolyproline II helixtrans-49119.4169.8-171.3171.7-170.900107.9N243 T247N243-E245 PolarHBondContact O-N 2.91Å; E245-T247 PolarHBondContact O-N 3.18Å
246P77.8Confident67.9Low18 Ų1896.4 Ų96.412%0.11750%0.5CS..PPolyproline II helixtrans-66.2132.3-16426-35.3000110.1Q250 I251 I286 Q289P246-Q250 HydrophobicContact CB-CB 4.42Å; P246-I251 HydrophobicContact CB-CG1 4.48Å; P246-I286 HydrophobicContact CB-CG2 4.12Å; P246-I286 HydrophobicContact CG-CG2 3.78Å; P246-Q289 HydrophobicContact CG-CG 4.16Å
247T86.4Confident70.4Confident53 Ų5393.5 Ų93.533%0.32549%0.487SS..PPolyproline II helixtrans-64.3152.4-177.568.50000109.9E245 E249 Q250 I251E245-T247 PolarHBondContact O-N 3.18Å; T247-E249 PolarHBondContact O-N 3.43Å; T247-Q250 WeakPolarHBondContact O-CB 3.38Å; T247-Q250 PolarHBondContact O-N 2.78Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.42Å; T247-Q250 PolarHBondContact OG1-N 2.76Å; T247-I251 PolarHBondContact O-N 2.93Å; T247-I251 VanDerWaalsContact O-N 3.13Å
248P86.5Confident72.9Confident36 Ų3688.8 Ų88.823%0.23446%0.457CS..Hα-helixtrans-54.5-30.2175.221-32.6000111.7I251 C252 T293 E296 A297P248-I251 PolarHBondContact O-N 3.34Å; P248-C252 PolarHBondContact O-N 3.14Å; P248-C252 PolarHBondContact O-SG 3.46Å; P248-T293 HydrophobicContact CB-CG2 4.05Å; P248-E296 HydrophobicContact CB-CG 4.36Å; P248-A297 HydrophobicContact CB-CB 4.3Å; P248-A297 WeakPolarHBondContact O-CB 3.32Å
249E89.8Confident75.6Confident144 Ų14481.9 Ų81.967%0.67343%0.425SS*.Hα-helixtrans-65.2-41.7174.9-57.3162.7160.300113.1T247 I251 C252 A253T247-E249 PolarHBondContact O-N 3.43Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-C252 WeakPolarHBondContact O-CB 3.34Å; E249-C252 PolarHBondContact O-N 3.06Å; E249-A253 PolarHBondContact O-N 2.89Å
250Q91.3Very high77.9Confident100 Ų10082.7 Ų82.747%0.46742%0.422SS..Hα-helixtrans-65.5-37.8174.1-72.1170.4-7.600111.3P246 T247 A253 S254P246-Q250 HydrophobicContact CB-CB 4.42Å; T247-Q250 WeakPolarHBondContact O-CB 3.38Å; T247-Q250 PolarHBondContact O-N 2.78Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.42Å; T247-Q250 PolarHBondContact OG1-N 2.76Å; Q250-A253 PolarHBondContact O-N 3.32Å; Q250-S254 WeakPolarHBondContact O-CB 3.36Å; Q250-S254 PolarHBondContact O-N 2.79Å; Q250-S254 PolarHBondContact O-OG 3.19Å
251I92.9Very high80.8Confident1 Ų177 Ų771%0.00542%0.416CS..Hα-helixtrans-65.6-41172.5-57.4174.6000110.1P246 T247 P248 E249 A253 S254 I255 V282 I286 Q289 T293 L294 A297P246-I251 HydrophobicContact CB-CG1 4.48Å; T247-I251 PolarHBondContact O-N 2.93Å; T247-I251 VanDerWaalsContact O-N 3.13Å; P248-I251 PolarHBondContact O-N 3.34Å; E249-I251 VanDerWaalsContact C-N 3.33Å; I251-A253 PolarHBondContact O-N 3.26Å; I251-S254 PolarHBondContact O-N 2.89Å; I251-I255 HydrophobicContact CG2-CD1 4.03Å; I251-I255 HydrophobicContact CG2-CG1 4.42Å; I251-I255 VanDerWaalsContact O-CG1 3.26Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 3.43Å; I251-V282 HydrophobicContact CG2-CG1 4.17Å; I251-I286 HydrophobicContact CG1-CD1 4.1Å; I251-Q289 HydrophobicContact CD1-CB 4.4Å; I251-Q289 HydrophobicContact CD1-CG 3.95Å; I251-T293 HydrophobicContact CD1-CG2 3.88Å; I251-L294 HydrophobicContact CD1-CD2 4.45Å; I251-L294 HydrophobicContact CG2-CD2 4.19Å; I251-A297 HydrophobicContact CB-CB 3.71Å; I251-A297 HydrophobicContact CG2-CB 3.54Å
252C93.7Very high83.5Confident7 Ų774.6 Ų74.65%0.04739%0.392CS..Hα-helixtrans-60.2-43.2174.1-65.30000112.7P248 E249 S254 I255 R256 A297 T301P248-C252 PolarHBondContact O-N 3.14Å; P248-C252 PolarHBondContact O-SG 3.46Å; E249-C252 WeakPolarHBondContact O-CB 3.34Å; E249-C252 PolarHBondContact O-N 3.06Å; C252-S254 VanDerWaalsContact C-N 3.35Å; C252-I255 PolarHBondContact O-N 3.41Å; C252-R256 PolarHBondContact O-N 3.17Å; C252-R256 VanDerWaalsContact O-N 3.13Å; C252-A297 PolarHBondContact SG-O 2.79Å; C252-T301 WeakPolarHBondContact CA-OG1 3.32Å; C252-T301 WeakPolarHBondContact CB-OG1 3.31Å; C252-T301 PolarHBondContact SG-OG1 2.7Å; C252-T301 VanDerWaalsContact SG-OG1 3.35Å
253A93Very high86.2Confident51 Ų5178.4 Ų78.442%0.42140%0.401SS..Hα-helixtrans-60.9-46.3175.300000110.8E249 Q250 I251 I255 R256 E257E249-A253 PolarHBondContact O-N 2.89Å; Q250-A253 PolarHBondContact O-N 3.32Å; I251-A253 PolarHBondContact O-N 3.26Å; A253-I255 PolarHBondContact O-N 2.83Å; A253-R256 PolarHBondContact O-N 2.92Å; A253-E257 PolarHBondContact O-N 3.22Å
254S93.3Very high88.6Confident32 Ų3272 Ų7222%0.22437%0.368CS..Hα-helixtrans-65.7-34.7179-54.30000113.3Q250 I251 C252 L258 I286Q250-S254 WeakPolarHBondContact O-CB 3.36Å; Q250-S254 PolarHBondContact O-N 2.79Å; Q250-S254 PolarHBondContact O-OG 3.19Å; I251-S254 PolarHBondContact O-N 2.89Å; C252-S254 VanDerWaalsContact C-N 3.35Å; S254-L258 VanDerWaalsContact O-CB 3.24Å; S254-L258 WeakPolarHBondContact O-CB 3.35Å; S254-L258 PolarHBondContact O-N 3.31Å; S254-I286 WeakPolarHBondContact OG-CD1 3.39Å
255I95.4Very high90.4Very high0 Ų069.2 Ų69.20%035%0.354CS..Hα-helixtrans-62.7-47.6172-68.1160.3000110I251 C252 A253 L258 M259 I278 L279 V282 A297 M298 T301I251-I255 HydrophobicContact CG2-CD1 4.03Å; I251-I255 HydrophobicContact CG2-CG1 4.42Å; I251-I255 VanDerWaalsContact O-CG1 3.26Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 3.43Å; C252-I255 PolarHBondContact O-N 3.41Å; A253-I255 PolarHBondContact O-N 2.83Å; I255-L258 PolarHBondContact O-N 2.9Å; I255-M259 HydrophobicContact CG2-SD 4.41Å; I255-M259 WeakPolarHBondContact O-CG 3.31Å; I255-M259 PolarHBondContact O-N 3.29Å; I255-I278 HydrophobicContact CG2-CG2 3.88Å; I255-L279 HydrophobicContact CD1-CD2 3.77Å; I255-L279 HydrophobicContact CG1-CD2 4.31Å; I255-V282 HydrophobicContact CB-CG2 4.49Å; I255-V282 HydrophobicContact CG1-CG1 4.45Å; I255-V282 HydrophobicContact CG1-CG2 3.88Å; I255-A297 HydrophobicContact CD1-CB 4.39Å; I255-M298 HydrophobicContact CD1-CE 4.17Å; I255-M298 HydrophobicContact CG2-CE 4.24Å; I255-T301 HydrophobicContact CB-CG2 4.31Å; I255-T301 HydrophobicContact CG2-CG2 3.87Å
256R93.5Very high91.8Very high89 Ų8964.7 Ų64.734%0.33633%0.331SS..Hα-helixtrans-64.7-43.6179.2-71.8-168.7-74.4-179.4-4.1112C252 A253 M259 I260 T301 E308C252-R256 PolarHBondContact O-N 3.17Å; C252-R256 VanDerWaalsContact O-N 3.13Å; A253-R256 PolarHBondContact O-N 2.92Å; R256-M259 PolarHBondContact O-N 2.95Å; R256-I260 WeakPolarHBondContact O-CD1 3.43Å; R256-I260 VanDerWaalsContact O-CG1 3.29Å; R256-I260 WeakPolarHBondContact O-CG1 3.5Å; R256-I260 PolarHBondContact O-N 3.43Å; R256-T301 HydrophobicContact CG-CG2 3.93Å; R256-E308 IonicContact NH1-OE1 2.7Å; R256-E308 PolarHBondContact NH1-OE1 2.88Å; R256-E308 IonicContact NH1-OE2 2.95Å
257E93.7Very high92.6Very high117 Ų11765.7 Ų65.755%0.54734%0.34SS..Hα-helixtrans-61.8-43.7175.6-175.2167.9-151.500111.8R199 A253 M259 I260 A261R199-E257 IonicContact NH1-OE1 3.72Å; A253-E257 PolarHBondContact O-N 3.22Å; E257-M259 PolarHBondContact O-N 3.11Å; E257-I260 PolarHBondContact O-N 2.99Å; E257-A261 WeakPolarHBondContact O-CB 3.44Å; E257-A261 PolarHBondContact O-N 3Å
258L94.1Very high92.9Very high24 Ų2469.1 Ų69.113%0.12635%0.353CS..Hα-helixtrans-62.3-42.7176.3-172.5143.6000112S254 I255 I260 A261 E262 I278 K281 V282S254-L258 VanDerWaalsContact O-CB 3.24Å; S254-L258 WeakPolarHBondContact O-CB 3.35Å; S254-L258 PolarHBondContact O-N 3.31Å; I255-L258 PolarHBondContact O-N 2.9Å; L258-I260 VanDerWaalsContact C-N 3.32Å; L258-I260 PolarHBondContact O-N 3.25Å; L258-A261 PolarHBondContact O-N 3.19Å; L258-E262 HydrophobicContact CD2-CG 4.11Å; L258-E262 HydrophobicContact CG-CG 4.35Å; L258-E262 WeakPolarHBondContact O-CB 3.39Å; L258-E262 WeakPolarHBondContact O-CG 3.44Å; L258-E262 PolarHBondContact O-N 3.45Å; L258-I278 HydrophobicContact CD2-CG2 4.43Å; L258-K281 HydrophobicContact CD1-CB 3.67Å; L258-K281 HydrophobicContact CD2-CB 4.47Å; L258-K281 HydrophobicContact CD2-CD 4.27Å; L258-V282 HydrophobicContact CB-CG2 4.24Å; L258-V282 HydrophobicContact CD1-CG2 3.91Å
259M94.1Very high93.3Very high10 Ų1068 Ų685%0.04934%0.344CS..Hα-helixtrans-63.6-36.9176.8-73.3-172.167.400112.7I255 R256 E257 R263 T264 W266 L269 I278I255-M259 HydrophobicContact CG2-SD 4.41Å; I255-M259 WeakPolarHBondContact O-CG 3.31Å; I255-M259 PolarHBondContact O-N 3.29Å; R256-M259 PolarHBondContact O-N 2.95Å; E257-M259 PolarHBondContact O-N 3.11Å; M259-R263 CarbonylContact O-C 3.57Å; M259-R263 WeakPolarHBondContact O-CA 3.19Å; M259-R263 PolarHBondContact O-N 3.34Å; M259-T264 WeakPolarHBondContact CA-OG1 3.38Å; M259-T264 WeakPolarHBondContact CE-O 3.48Å; M259-T264 PolarHBondContact O-N 3.29Å; M259-T264 PolarHBondContact O-OG1 3.2Å; M259-W266 HydrophobicContact CE-CD2 3.66Å; M259-W266 HydrophobicContact CE-CE3 3.81Å; M259-W266 HydrophobicContact CE-CG 4.12Å; M259-W266 HydrophobicContact CE-CH2 4.21Å; M259-W266 HydrophobicContact CE-CZ2 4.11Å; M259-W266 HydrophobicContact CE-CZ3 4.07Å; M259-W266 HydrophobicContact SD-CD2 4.21Å; M259-W266 HydrophobicContact SD-CE3 4.14Å; M259-W266 HydrophobicContact SD-CH2 3.47Å; M259-W266 WeakPolarHBondContact SD-CH2 3.22Å; M259-W266 HydrophobicContact SD-CZ2 3.58Å; M259-W266 VanDerWaalsContact SD-CZ2 3.58Å; M259-W266 HydrophobicContact SD-CZ3 3.77Å; M259-L269 HydrophobicContact CE-CD1 3.96Å; M259-I278 HydrophobicContact CG-CD1 4.24Å; M259-I278 HydrophobicContact SD-CD1 4.18Å
260I93.7Very high93.4Very high134 Ų13464.2 Ų64.269%0.68734%0.338SS*.Hα-helixtrans-67.5-45.1174.2-67.7163.8000110.6R256 E257 L258 R263R256-I260 WeakPolarHBondContact O-CD1 3.43Å; R256-I260 VanDerWaalsContact O-CG1 3.29Å; R256-I260 WeakPolarHBondContact O-CG1 3.5Å; R256-I260 PolarHBondContact O-N 3.43Å; E257-I260 PolarHBondContact O-N 2.99Å; L258-I260 VanDerWaalsContact C-N 3.32Å; L258-I260 PolarHBondContact O-N 3.25Å; I260-R263 PolarHBondContact O-N 3.35Å
261A94.2Very high93.4Very high77 Ų7759.8 Ų59.864%0.63632%0.319SS*.Hα-helixtrans-64.5-44.1-179.100000112.6E257 L258 R263E257-A261 WeakPolarHBondContact O-CB 3.44Å; E257-A261 PolarHBondContact O-N 3Å; L258-A261 PolarHBondContact O-N 3.19Å; A261-R263 PolarHBondContact O-N 2.69Å
262E93Very high93.5Very high84 Ų8460.3 Ų60.339%0.39332%0.322SS..Hα-helixtrans-78.8-7.6176-62.5-159.7141.700113.4L258 T264 K281L258-E262 HydrophobicContact CD2-CG 4.11Å; L258-E262 HydrophobicContact CG-CG 4.35Å; L258-E262 WeakPolarHBondContact O-CB 3.39Å; L258-E262 WeakPolarHBondContact O-CG 3.44Å; L258-E262 PolarHBondContact O-N 3.45Å; E262-T264 HydrophobicContact CB-CG2 3.88Å; E262-T264 PolarHBondContact O-N 3.28Å; E262-K281 WeakPolarHBondContact OE1-CD 3.23Å; E262-K281 WeakPolarHBondContact OE1-CE 3.39Å; E262-K281 IonicContact OE1-NZ 3.62Å; E262-K281 PolarHBondContact OE1-NZ 3.45Å; E262-K281 IonicContact OE2-NZ 3.11Å; E262-K281 PolarHBondContact OE2-NZ 3.33Å
263R91.7Very high93.4Very high221 Ų22164.3 Ų64.383%0.83434%0.34SS*.THydrogen-bonded Turntrans58.323.3-173.6-54.9178.9174.6174.7-1.7114.1M259 I260 A261 N265M259-R263 CarbonylContact O-C 3.57Å; M259-R263 WeakPolarHBondContact O-CA 3.19Å; M259-R263 PolarHBondContact O-N 3.34Å; I260-R263 PolarHBondContact O-N 3.35Å; A261-R263 PolarHBondContact O-N 2.69Å; R263-N265 PolarHBondContact O-N 2.95Å
264T92Very high93.5Very high34 Ų3464.2 Ų64.221%0.20933%0.332CS..  trans-73.8123.4177.954.50000110.2M259 E262 E268M259-T264 WeakPolarHBondContact CA-OG1 3.38Å; M259-T264 WeakPolarHBondContact CE-O 3.48Å; M259-T264 PolarHBondContact O-N 3.29Å; M259-T264 PolarHBondContact O-OG1 3.2Å; E262-T264 HydrophobicContact CB-CG2 3.88Å; E262-T264 PolarHBondContact O-N 3.28Å; T264-E268 WeakPolarHBondContact CA-OE2 3.39Å
265N92.9Very high93.6Very high84 Ų8462.7 Ų62.745%0.44932%0.322SS..  trans-86145.2177.5-169-33.7000110.2R263 A267 E268R263-N265 PolarHBondContact O-N 2.95Å; N265-A267 PolarHBondContact O-N 2.75Å; N265-A267 VanDerWaalsContact O-N 3.08Å; N265-A267 PolarHBondContact OD1-N 2.87Å; N265-A267 VanDerWaalsContact OD1-N 3.08Å; N265-E268 HydrophobicContact CB-CG 4.15Å; N265-E268 PolarHBondContact N-OE2 2.74Å; N265-E268 WeakPolarHBondContact O-CB 3.49Å; N265-E268 PolarHBondContact O-N 3.07Å
266W94.6Very high93.6Very high43 Ų4362.7 Ų62.716%0.16332%0.322CS..G310 helixtrans-48.4-34.9169.4-71.7114.5000113M259 E268 L269 T301 L302 A305 L314 H317 L318M259-W266 HydrophobicContact CE-CD2 3.66Å; M259-W266 HydrophobicContact CE-CE3 3.81Å; M259-W266 HydrophobicContact CE-CG 4.12Å; M259-W266 HydrophobicContact CE-CH2 4.21Å; M259-W266 HydrophobicContact CE-CZ2 4.11Å; M259-W266 HydrophobicContact CE-CZ3 4.07Å; M259-W266 HydrophobicContact SD-CD2 4.21Å; M259-W266 HydrophobicContact SD-CE3 4.14Å; M259-W266 HydrophobicContact SD-CH2 3.47Å; M259-W266 WeakPolarHBondContact SD-CH2 3.22Å; M259-W266 HydrophobicContact SD-CZ2 3.58Å; M259-W266 VanDerWaalsContact SD-CZ2 3.58Å; M259-W266 HydrophobicContact SD-CZ3 3.77Å; W266-E268 PolarHBondContact O-N 3Å; W266-L269 HydrophobicContact CE3-CD1 3.82Å; W266-L269 HydrophobicContact CZ3-CD1 3.99Å; W266-L269 PolarHBondContact O-N 2.98Å; W266-T301 HydrophobicContact CH2-CG2 3.78Å; W266-T301 HydrophobicContact CZ2-CG2 4.02Å; W266-L302 HydrophobicContact CE3-CD2 4.08Å; W266-L302 HydrophobicContact CH2-CD2 4.32Å; W266-L302 HydrophobicContact CZ3-CD2 3.58Å; W266-L302 HydrophobicContact CZ3-CG 4.48Å; W266-A305 HydrophobicContact CD2-CB 4.1Å; W266-A305 VanDerWaalsContact CE2-CB 3.49Å; W266-A305 HydrophobicContact CH2-CB 4.3Å; W266-A305 HydrophobicContact CZ2-CB 3.61Å; W266-L314 HydrophobicContact CB-CD1 4.08Å; W266-H317 PolarHBondContact O-NE2 3.21Å; W266-L318 HydrophobicContact CB-CD2 4.18Å; W266-L318 HydrophobicContact CD2-CD2 4.06Å; W266-L318 HydrophobicContact CE3-CD2 3.95Å; W266-L318 HydrophobicContact CG-CD2 4.17Å
267A94.2Very high93.6Very high38 Ų3862.2 Ų62.231%0.31433%0.326SS..G310 helixtrans-66.3-16.6177.600000115.4N265 W313 L314N265-A267 PolarHBondContact O-N 2.75Å; N265-A267 VanDerWaalsContact O-N 3.08Å; N265-A267 PolarHBondContact OD1-N 2.87Å; N265-A267 VanDerWaalsContact OD1-N 3.08Å; A267-W313 HydrophobicContact CB-CH2 3.6Å; A267-W313 HydrophobicContact CB-CZ3 3.95Å; A267-L314 HydrophobicContact CB-CD1 4.24Å
268E94.3Very high93.6Very high126 Ų12657 Ų5759%0.58930%0.302SS*.G310 helixtrans-87.2-14.3-179.4-64.6171.615900112.3T264 N265 W266 A270T264-E268 WeakPolarHBondContact CA-OE2 3.39Å; N265-E268 HydrophobicContact CB-CG 4.15Å; N265-E268 PolarHBondContact N-OE2 2.74Å; N265-E268 WeakPolarHBondContact O-CB 3.49Å; N265-E268 PolarHBondContact O-N 3.07Å; W266-E268 PolarHBondContact O-N 3Å; E268-A270 PolarHBondContact O-N 2.73Å
269L95Very high93.6Very high12 Ų1255.9 Ų55.96%0.06330%0.296CS..  trans-85.5105.1-176.4-50.9-176.5000109.8M259 W266 D274 L275 I278 H317 L321M259-L269 HydrophobicContact CE-CD1 3.96Å; W266-L269 HydrophobicContact CE3-CD1 3.82Å; W266-L269 HydrophobicContact CZ3-CD1 3.99Å; W266-L269 PolarHBondContact O-N 2.98Å; L269-D274 HydrophobicContact CB-CB 4.44Å; L269-D274 HydrophobicContact CD2-CB 4.13Å; L269-L275 HydrophobicContact CD1-CD2 3.89Å; L269-I278 HydrophobicContact CD1-CD1 3.55Å; L269-I278 HydrophobicContact CD2-CD1 3.67Å; L269-I278 HydrophobicContact CG-CD1 4.28Å; L269-H317 PolarHBondContact O-CE1 3.25Å; L269-H317 PolarHBondContact O-NE2 2.89Å; L269-H317 VanDerWaalsContact O-NE2 3.1Å; L269-L321 HydrophobicContact CB-CD1 4.11Å
270A91.4Very high93.6Very high64 Ų6455.7 Ų55.753%0.52930%0.295SS..  trans-97.1-22.2-172.600000113.5E268 D274 R324E268-A270 PolarHBondContact O-N 2.73Å; A270-D274 PolarHBondContact N-OD2 3Å; A270-R324 PolarHBondContact O-NH1 2.97Å
271G91.8Very high93.5Very high7 Ų753 Ų537%0.07228%0.278CS..SBendtrans-136.1171.8-16800000115D274G271-D274 PolarHBondContact N-OD2 3.23Å; G271-D274 PolarHBondContact O-N 2.63Å
272V93.3Very high93.5Very high13 Ų1349.3 Ų49.38%0.07925%0.248CC..Hα-helixtrans-72.8-28.4169.7174.60000109.7D274 L275 W276 R324 W325 E328 I337V272-D274 VanDerWaalsContact C-N 3.31Å; V272-D274 PolarHBondContact O-N 3.49Å; V272-L275 PolarHBondContact O-N 3.05Å; V272-W276 VanDerWaalsContact O-CD1 3.26Å; V272-W276 PolarHBondContact O-N 3.45Å; V272-R324 HydrophobicContact CG2-CB 3.7Å; V272-W325 HydrophobicContact CG1-CE3 3.94Å; V272-W325 HydrophobicContact CG1-CZ3 3.84Å; V272-E328 HydrophobicContact CG1-CB 3.96Å; V272-E328 HydrophobicContact CG1-CG 3.77Å; V272-I337 HydrophobicContact CB-CD1 3.9Å; V272-I337 HydrophobicContact CG1-CD1 3.63Å
273E93.1Very high93.5Very high91 Ų9146.3 Ų46.343%0.42524%0.235SC..Hα-helixtrans-55.4-40.3170.6-67.574.2-173.100112.8W276 L277 I337E273-W276 CarbonylContact O-C 3.55Å; E273-W276 WeakPolarHBondContact O-CA 3.18Å; E273-W276 PolarHBondContact O-N 2.65Å; E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 3.04Å; E273-I337 HydrophobicContact CB-CG2 4.42Å; E273-I337 HydrophobicContact CG-CG2 3.88Å
274D95Very high93.4Very high48 Ų4840.9 Ų40.926%0.25722%0.219SC..Hα-helixtrans-75.2-37.6-176.9-49.7-39.8000111.2L269 A270 G271 V272 L277 I278L269-D274 HydrophobicContact CB-CB 4.44Å; L269-D274 HydrophobicContact CD2-CB 4.13Å; A270-D274 PolarHBondContact N-OD2 3Å; G271-D274 PolarHBondContact N-OD2 3.23Å; G271-D274 PolarHBondContact O-N 2.63Å; V272-D274 VanDerWaalsContact C-N 3.31Å; V272-D274 PolarHBondContact O-N 3.49Å; D274-L277 PolarHBondContact O-N 2.97Å; D274-I278 PolarHBondContact O-N 3.26Å
275L95.2Very high93.3Very high0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-64.3-42.6171.4-58.3171.3000111.1L269 V272 I278 L279 M298 L302 L321 W325L269-L275 HydrophobicContact CD1-CD2 3.89Å; V272-L275 PolarHBondContact O-N 3.05Å; L275-I278 PolarHBondContact O-N 3.2Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.96Å; L275-M298 HydrophobicContact CB-CE 4.27Å; L275-M298 HydrophobicContact CB-CG 4.41Å; L275-M298 HydrophobicContact CB-SD 4.38Å; L275-M298 HydrophobicContact CD2-CE 4.23Å; L275-M298 HydrophobicContact CD2-SD 3.75Å; L275-L302 HydrophobicContact CD1-CD1 4.12Å; L275-L302 HydrophobicContact CD2-CD2 4.39Å; L275-L321 HydrophobicContact CD1-CD2 4.44Å; L275-W325 HydrophobicContact CB-CE3 3.73Å; L275-W325 HydrophobicContact CB-CH2 4.26Å; L275-W325 HydrophobicContact CB-CZ3 3.49Å; L275-W325 VanDerWaalsContact CB-CZ3 3.49Å; L275-W325 HydrophobicContact CD1-CB 4.35Å; L275-W325 HydrophobicContact CD1-CD2 4.2Å; L275-W325 HydrophobicContact CD1-CE3 3.56Å; L275-W325 HydrophobicContact CD1-CZ3 4.23Å; L275-W325 HydrophobicContact CG-CE3 4.3Å
276W94.7Very high93Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-22.4-74.3146.44036.4000115.2V272 E273 I278 L279 D280 E291 L294 K295 W325 E328 S335 R338 L341V272-W276 VanDerWaalsContact O-CD1 3.26Å; V272-W276 PolarHBondContact O-N 3.45Å; E273-W276 CarbonylContact O-C 3.55Å; E273-W276 WeakPolarHBondContact O-CA 3.18Å; E273-W276 PolarHBondContact O-N 2.65Å; W276-I278 VanDerWaalsContact C-N 3.33Å; W276-I278 PolarHBondContact O-N 3.08Å; W276-L279 HydrophobicContact CD2-CD1 4.32Å; W276-L279 HydrophobicContact CE3-CB 4.38Å; W276-L279 HydrophobicContact CE3-CD1 3.72Å; W276-L279 HydrophobicContact CZ3-CD1 3.98Å; W276-L279 PolarHBondContact O-N 3.11Å; W276-D280 PolarHBondContact O-N 3.04Å; W276-E291 HydrophobicContact CH2-CG 3.57Å; W276-E291 HydrophobicContact CZ3-CG 4.06Å; W276-L294 HydrophobicContact CZ3-CB 4.48Å; W276-K295 HydrophobicContact CH2-CD 4.45Å; W276-K295 HydrophobicContact CH2-CG 3.77Å; W276-K295 HydrophobicContact CZ2-CG 4.19Å; W276-W325 AromaticContact CD1-CH2 3.9Å; W276-W325 AromaticContact CD1-CZ3 3.74Å; W276-W325 AromaticContact CD2-CH2 3.54Å; W276-W325 HydrophobicContact CD2-CH2 3.54Å; W276-W325 HydrophobicContact CD2-CZ3 4.19Å; W276-W325 AromaticContact CE2-CH2 3.37Å; W276-W325 AromaticContact CE2-CZ3 3.88Å; W276-W325 HydrophobicContact CE3-CH2 4.03Å; W276-W325 AromaticContact CG-CH2 3.85Å; W276-W325 HydrophobicContact CG-CH2 3.85Å; W276-W325 HydrophobicContact CG-CZ3 4.08Å; W276-W325 HydrophobicContact CH2-CH2 4.17Å; W276-W325 HydrophobicContact CH2-CZ2 4.33Å; W276-W325 AromaticContact CZ2-CH2 3.73Å; W276-W325 HydrophobicContact CZ2-CH2 3.73Å; W276-W325 HydrophobicContact CZ2-CZ2 4.15Å; W276-W325 HydrophobicContact CZ2-CZ3 4.48Å; W276-W325 HydrophobicContact CZ3-CH2 4.31Å; W276-W325 AromaticContact NE1-CH2 3.61Å; W276-W325 AromaticContact NE1-CZ3 3.6Å; W276-E328 HydrophobicContact CZ2-CG 4.21Å; W276-S335 VanDerWaalsContact CZ2-CB 3.44Å; W276-S335 PolarHBondContact NE1-OG 3.46Å; W276-R338 HydrophobicContact CD2-CB 3.77Å; W276-R338 HydrophobicContact CD2-CG 3.93Å; W276-R338 HydrophobicContact CE3-CB 3.94Å; W276-R338 HydrophobicContact CE3-CG 3.64Å; W276-R338 HydrophobicContact CG-CB 4.24Å; W276-R338 HydrophobicContact CG-CG 4.46Å; W276-R338 HydrophobicContact CZ2-CB 4.37Å; W276-R338 HydrophobicContact CZ3-CB 4.34Å; W276-R338 VanDerWaalsContact CZ3-CD 3.48Å; W276-R338 HydrophobicContact CZ3-CG 4.09Å; W276-L341 HydrophobicContact CB-CD1 3.81Å; W276-L341 HydrophobicContact CG-CD1 4.42Å
277L93.6Very high92.6Very high80 Ų8042.4 Ų42.442%0.41924%0.239SC..Hα-helixtrans-64-38.8-171-69.5167.5000112.1E273 D274 D280 K281 L341E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 3.04Å; D274-L277 PolarHBondContact O-N 2.97Å; L277-D280 PolarHBondContact O-N 3.4Å; L277-K281 WeakPolarHBondContact O-CG 3.48Å; L277-K281 PolarHBondContact O-N 2.94Å; L277-L341 HydrophobicContact CD2-CD2 4.12Å; L277-L341 HydrophobicContact CG-CD2 4.43Å
278I94.7Very high92.2Very high8 Ų849.8 Ų49.84%0.04126%0.259CS..Hα-helixtrans-61.1-49.4174.9-69.6172.1000110.9I255 L258 M259 L269 D274 L275 W276 D280 K281 V282 M298I255-I278 HydrophobicContact CG2-CG2 3.88Å; L258-I278 HydrophobicContact CD2-CG2 4.43Å; M259-I278 HydrophobicContact CG-CD1 4.24Å; M259-I278 HydrophobicContact SD-CD1 4.18Å; L269-I278 HydrophobicContact CD1-CD1 3.55Å; L269-I278 HydrophobicContact CD2-CD1 3.67Å; L269-I278 HydrophobicContact CG-CD1 4.28Å; D274-I278 PolarHBondContact O-N 3.26Å; L275-I278 PolarHBondContact O-N 3.2Å; W276-I278 VanDerWaalsContact C-N 3.33Å; W276-I278 PolarHBondContact O-N 3.08Å; I278-D280 PolarHBondContact O-N 3.32Å; I278-K281 WeakPolarHBondContact O-CB 3.18Å; I278-K281 PolarHBondContact O-N 3.47Å; I278-K281 VanDerWaalsContact O-N 3.15Å; I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 2.5Å; I278-M298 HydrophobicContact CB-CE 4.44Å; I278-M298 HydrophobicContact CG2-CE 4.12Å
279L94.2Very high91.9Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-62.7-42.6178.4-74.9171000112.6I255 L275 W276 K281 V282 V283 L294 M298 W325I255-L279 HydrophobicContact CD1-CD2 3.77Å; I255-L279 HydrophobicContact CG1-CD2 4.31Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.96Å; W276-L279 HydrophobicContact CD2-CD1 4.32Å; W276-L279 HydrophobicContact CE3-CB 4.38Å; W276-L279 HydrophobicContact CE3-CD1 3.72Å; W276-L279 HydrophobicContact CZ3-CD1 3.98Å; W276-L279 PolarHBondContact O-N 3.11Å; L279-K281 PolarHBondContact O-N 3.02Å; L279-V282 PolarHBondContact O-N 3.29Å; L279-V283 WeakPolarHBondContact O-CB 3.44Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 3.34Å; L279-L294 HydrophobicContact CD1-CB 4.39Å; L279-L294 HydrophobicContact CD2-CB 4.33Å; L279-L294 HydrophobicContact CD2-CD2 3.94Å; L279-M298 HydrophobicContact CD1-CB 3.97Å; L279-M298 HydrophobicContact CD1-CE 4.21Å; L279-M298 HydrophobicContact CD1-CG 4.36Å; L279-M298 HydrophobicContact CD2-CB 4.23Å; L279-M298 HydrophobicContact CD2-CE 4Å; L279-M298 HydrophobicContact CG-CB 4.41Å; L279-M298 HydrophobicContact CG-CE 3.69Å; L279-W325 HydrophobicContact CD1-CH2 3.45Å; L279-W325 VanDerWaalsContact CD1-CH2 3.45Å; L279-W325 HydrophobicContact CD1-CZ2 3.51Å
280D92.4Very high91.5Very high5 Ų545 Ų453%0.02724%0.238CC..Hα-helixtrans-68.8-20.7178.5-78.8-18.5000111.9W276 L277 I278 Q284 R338W276-D280 PolarHBondContact O-N 3.04Å; L277-D280 PolarHBondContact O-N 3.4Å; I278-D280 PolarHBondContact O-N 3.32Å; D280-Q284 WeakPolarHBondContact O-CG 3.44Å; D280-Q284 PolarHBondContact O-N 2.96Å; D280-Q284 PolarHBondContact O-NE2 3.5Å; D280-R338 IonicContact OD1-CZ 3.15Å; D280-R338 IonicContact OD1-NE 3.84Å; D280-R338 PolarHBondContact OD1-NE 2.93Å; D280-R338 VanDerWaalsContact OD1-NE 3.11Å; D280-R338 IonicContact OD1-NH2 2.9Å; D280-R338 PolarHBondContact OD1-NH2 3.15Å
281K93.3Very high91.3Very high77 Ų7742.8 Ų42.834%0.33522%0.217SC..Hα-helixtrans-75.1-45.4165.8-69.2178.6-175.2-169.80112.7L258 E262 L277 I278 L279 V283 Q284 T285L258-K281 HydrophobicContact CD1-CB 3.67Å; L258-K281 HydrophobicContact CD2-CB 4.47Å; L258-K281 HydrophobicContact CD2-CD 4.27Å; E262-K281 WeakPolarHBondContact OE1-CD 3.23Å; E262-K281 WeakPolarHBondContact OE1-CE 3.39Å; E262-K281 IonicContact OE1-NZ 3.62Å; E262-K281 PolarHBondContact OE1-NZ 3.45Å; E262-K281 IonicContact OE2-NZ 3.11Å; E262-K281 PolarHBondContact OE2-NZ 3.33Å; L277-K281 WeakPolarHBondContact O-CG 3.48Å; L277-K281 PolarHBondContact O-N 2.94Å; I278-K281 WeakPolarHBondContact O-CB 3.18Å; I278-K281 PolarHBondContact O-N 3.47Å; I278-K281 VanDerWaalsContact O-N 3.15Å; L279-K281 PolarHBondContact O-N 3.02Å; K281-V283 VanDerWaalsContact C-N 3.25Å; K281-V283 PolarHBondContact O-N 2.79Å; K281-Q284 WeakPolarHBondContact O-CA 3.21Å; K281-Q284 VanDerWaalsContact O-CB 3.32Å; K281-Q284 WeakPolarHBondContact O-CB 3.4Å; K281-Q284 PolarHBondContact O-N 2.88Å; K281-T285 PolarHBondContact O-N 3.21Å
282V93.3Very high91.2Very high1 Ų148.4 Ų48.41%0.00624%0.241CC..Hα-helixtrans-62.2-33.9175.2175.40000111.7I251 I255 L258 I278 L279 Q284 T285 I286I251-V282 HydrophobicContact CG2-CG1 4.17Å; I255-V282 HydrophobicContact CB-CG2 4.49Å; I255-V282 HydrophobicContact CG1-CG1 4.45Å; I255-V282 HydrophobicContact CG1-CG2 3.88Å; L258-V282 HydrophobicContact CB-CG2 4.24Å; L258-V282 HydrophobicContact CD1-CG2 3.91Å; I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 2.5Å; L279-V282 PolarHBondContact O-N 3.29Å; V282-Q284 VanDerWaalsContact C-N 3.27Å; V282-Q284 PolarHBondContact O-N 2.85Å; V282-T285 PolarHBondContact O-N 3.06Å; V282-T285 PolarHBondContact O-OG1 2.73Å; V282-I286 HydrophobicContact CG1-CD1 3.44Å; V282-I286 VanDerWaalsContact CG1-CD1 3.44Å; V282-I286 HydrophobicContact CG1-CG1 4.01Å; V282-I286 WeakPolarHBondContact O-CG1 3.37Å; V282-I286 PolarHBondContact O-N 3.26Å
283V92.4Very high91.1Very high20 Ų2049 Ų4912%0.12125%0.245CC..Hα-helixtrans-69.2-21171.9167.30000113L279 K281 G287 L294L279-V283 WeakPolarHBondContact O-CB 3.44Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 3.34Å; K281-V283 VanDerWaalsContact C-N 3.25Å; K281-V283 PolarHBondContact O-N 2.79Å; V283-G287 CarbonylContact O-C 3.58Å; V283-G287 WeakPolarHBondContact O-CA 3.38Å; V283-G287 PolarHBondContact O-N 3.4Å; V283-G287 VanDerWaalsContact O-O 3.13Å; V283-L294 HydrophobicContact CG2-CD1 3.65Å; V283-L294 HydrophobicContact CG2-CD2 3.57Å; V283-L294 HydrophobicContact CG2-CG 4.27Å
284Q90.2Very high91.1Very high107 Ų10744.8 Ų44.850%0.523%0.225SC..Hα-helixtrans-78.2-29.6170.9-72.9161.986.100112.2D280 K281 V282 R349D280-Q284 WeakPolarHBondContact O-CG 3.44Å; D280-Q284 PolarHBondContact O-N 2.96Å; D280-Q284 PolarHBondContact O-NE2 3.5Å; K281-Q284 WeakPolarHBondContact O-CA 3.21Å; K281-Q284 VanDerWaalsContact O-CB 3.32Å; K281-Q284 WeakPolarHBondContact O-CB 3.4Å; K281-Q284 PolarHBondContact O-N 2.88Å; V282-Q284 VanDerWaalsContact C-N 3.27Å; V282-Q284 PolarHBondContact O-N 2.85Å; Q284-R349 VanDerWaalsContact CD-CZ 3.46Å; Q284-R349 VanDerWaalsContact CD-NH1 3.34Å
285T89.1Confident91Very high106 Ų10643.5 Ų43.565%0.6522%0.218SC*.Hα-helixtrans-87.5-46.3-179.952.80000113K281 V282K281-T285 PolarHBondContact O-N 3.21Å; V282-T285 PolarHBondContact O-N 3.06Å; V282-T285 PolarHBondContact O-OG1 2.73Å
286I87.4Confident90.9Very high58 Ų5848.6 Ų48.630%0.29724%0.242SC..SBendtrans-82.6-24.1179-49.3176.7000111.7P246 I251 S254 V282P246-I286 HydrophobicContact CB-CG2 4.12Å; P246-I286 HydrophobicContact CG-CG2 3.78Å; I251-I286 HydrophobicContact CG1-CD1 4.1Å; S254-I286 WeakPolarHBondContact OG-CD1 3.39Å; V282-I286 HydrophobicContact CG1-CD1 3.44Å; V282-I286 VanDerWaalsContact CG1-CD1 3.44Å; V282-I286 HydrophobicContact CG1-CG1 4.01Å; V282-I286 WeakPolarHBondContact O-CG1 3.37Å; V282-I286 PolarHBondContact O-N 3.26Å
287G85.5Confident90.9Very high29 Ų2948.6 Ų48.630%0.29924%0.242SC..  trans96.6-177.1-169.900000113.2V283 Q289V283-G287 CarbonylContact O-C 3.58Å; V283-G287 WeakPolarHBondContact O-CA 3.38Å; V283-G287 PolarHBondContact O-N 3.4Å; V283-G287 VanDerWaalsContact O-O 3.13Å; G287-Q289 PolarHBondContact O-N 3.08Å
288W87.2Confident91Very high193 Ų19344.9 Ų44.973%0.73122%0.222SC*.  trans-66.3130.6-171.7-174.289.9000112.7P290W288-P290 HydrophobicContact CH2-CB 4.1Å; W288-P290 HydrophobicContact CZ3-CB 4.39Å
289Q87.4Confident91Very high15 Ų1546.1 Ų46.17%0.0723%0.228CC..  trans-127.1148.3175.5-65.5-55.4-45.500111.4P246 I251 G287 L294P246-Q289 HydrophobicContact CG-CG 4.16Å; I251-Q289 HydrophobicContact CD1-CB 4.4Å; I251-Q289 HydrophobicContact CD1-CG 3.95Å; G287-Q289 PolarHBondContact O-N 3.08Å; Q289-L294 HydrophobicContact CB-CD1 3.97Å; Q289-L294 HydrophobicContact CB-CD2 4Å; Q289-L294 HydrophobicContact CB-CG 3.84Å; Q289-L294 WeakPolarHBondContact O-CD1 3.43Å
290P87.2Confident91.1Very high22 Ų2248.6 Ų48.614%0.14324%0.243CC..  trans-59.8152.2174.725.3-33.2000111.6W288 E292 T293 L294W288-P290 HydrophobicContact CH2-CB 4.1Å; W288-P290 HydrophobicContact CZ3-CB 4.39Å; P290-E292 PolarHBondContact O-N 2.86Å; P290-T293 WeakPolarHBondContact CG-OG1 3.48Å; P290-L294 WeakPolarHBondContact O-CD1 3.25Å; P290-L294 WeakPolarHBondContact O-CG 3.14Å; P290-L294 PolarHBondContact O-N 3.36Å
291E86.9Confident91.3Very high19 Ų1948.4 Ų48.49%0.08924%0.242CC..Hα-helixtrans-68.6-29.8-172.2-165.5-175.813100111.5W276 K295 K334 S335W276-E291 HydrophobicContact CH2-CG 3.57Å; W276-E291 HydrophobicContact CZ3-CG 4.06Å; E291-K295 HydrophobicContact CG-CD 4.4Å; E291-K295 WeakPolarHBondContact O-CB 3.44Å; E291-K295 VanDerWaalsContact O-CG 3.25Å; E291-K295 WeakPolarHBondContact O-CG 3.18Å; E291-K295 PolarHBondContact O-N 2.65Å; E291-K295 WeakPolarHBondContact OE1-CE 3.33Å; E291-K295 IonicContact OE1-NZ 3.52Å; E291-K334 WeakPolarHBondContact OE2-CA 3.42Å; E291-K334 WeakPolarHBondContact OE2-CB 3.5Å; E291-S335 WeakPolarHBondContact OE1-CB 3.45Å; E291-S335 PolarHBondContact OE1-N 2.94Å; E291-S335 PolarHBondContact OE2-N 3.27Å
292E89.1Confident91.4Very high124 Ų12444.8 Ų44.858%0.57923%0.226SC*.Hα-helixtrans-63.6-54.7178.1-6372.3-163.400111.1P290 L294 K295 E296P290-E292 PolarHBondContact O-N 2.86Å; E292-L294 VanDerWaalsContact C-N 3.29Å; E292-L294 PolarHBondContact O-N 3.22Å; E292-K295 WeakPolarHBondContact O-CB 3.27Å; E292-K295 PolarHBondContact O-N 3.5Å; E292-E296 PolarHBondContact O-N 3.44Å
293T91.1Very high91.5Very high27 Ų2749.4 Ų49.417%0.16625%0.248CC..Hα-helixtrans-63.6-33.5177.7-45.50000112.2P248 I251 P290 E296 A297P248-T293 HydrophobicContact CB-CG2 4.05Å; I251-T293 HydrophobicContact CD1-CG2 3.88Å; P290-T293 WeakPolarHBondContact CG-OG1 3.48Å; T293-E296 PolarHBondContact O-N 3.42Å; T293-A297 VanDerWaalsContact O-CB 3.27Å; T293-A297 WeakPolarHBondContact O-CB 3.36Å; T293-A297 PolarHBondContact O-N 2.9Å
294L93.3Very high91.6Very high1 Ų150.3 Ų50.31%0.00525%0.254CS..Hα-helixtrans-70.6-37.4175.2-68.9164.4000112.7I251 W276 L279 V283 Q289 P290 E292 M298 R338I251-L294 HydrophobicContact CD1-CD2 4.45Å; I251-L294 HydrophobicContact CG2-CD2 4.19Å; W276-L294 HydrophobicContact CZ3-CB 4.48Å; L279-L294 HydrophobicContact CD1-CB 4.39Å; L279-L294 HydrophobicContact CD2-CB 4.33Å; L279-L294 HydrophobicContact CD2-CD2 3.94Å; V283-L294 HydrophobicContact CG2-CD1 3.65Å; V283-L294 HydrophobicContact CG2-CD2 3.57Å; V283-L294 HydrophobicContact CG2-CG 4.27Å; Q289-L294 HydrophobicContact CB-CD1 3.97Å; Q289-L294 HydrophobicContact CB-CD2 4Å; Q289-L294 HydrophobicContact CB-CG 3.84Å; Q289-L294 WeakPolarHBondContact O-CD1 3.43Å; P290-L294 WeakPolarHBondContact O-CD1 3.25Å; P290-L294 WeakPolarHBondContact O-CG 3.14Å; P290-L294 PolarHBondContact O-N 3.36Å; E292-L294 VanDerWaalsContact C-N 3.29Å; E292-L294 PolarHBondContact O-N 3.22Å; L294-M298 WeakPolarHBondContact O-CB 3.33Å; L294-M298 PolarHBondContact O-N 2.86Å; L294-M298 VanDerWaalsContact O-N 3.11Å; L294-R338 VanDerWaalsContact CD1-NH1 3.27Å
295K93.4Very high91.9Very high21 Ų2145.5 Ų45.59%0.09123%0.232CC..Hα-helixtrans-63.1-45.4172.3-79.2165.7160.3-160.80111.1W276 E291 E292 M299 W325 E328 A329 N331W276-K295 HydrophobicContact CH2-CD 4.45Å; W276-K295 HydrophobicContact CH2-CG 3.77Å; W276-K295 HydrophobicContact CZ2-CG 4.19Å; E291-K295 HydrophobicContact CG-CD 4.4Å; E291-K295 WeakPolarHBondContact O-CB 3.44Å; E291-K295 VanDerWaalsContact O-CG 3.25Å; E291-K295 WeakPolarHBondContact O-CG 3.18Å; E291-K295 PolarHBondContact O-N 2.65Å; E291-K295 WeakPolarHBondContact OE1-CE 3.33Å; E291-K295 IonicContact OE1-NZ 3.52Å; E292-K295 WeakPolarHBondContact O-CB 3.27Å; E292-K295 PolarHBondContact O-N 3.5Å; K295-M299 WeakPolarHBondContact O-CB 3.13Å; K295-M299 PolarHBondContact O-N 3.04Å; K295-W325 HydrophobicContact CG-CZ2 4.39Å; K295-W325 PolarHBondContact O-NE1 2.96Å; K295-E328 WeakPolarHBondContact CE-O 3.46Å; K295-E328 PolarHBondContact NZ-O 2.96Å; K295-A329 HydrophobicContact CB-CB 4.3Å; K295-A329 HydrophobicContact CD-CB 4.5Å; K295-A329 HydrophobicContact CG-CB 4.49Å; K295-A329 PolarHBondContact NZ-O 3.08Å; K295-N331 PolarHBondContact NZ-O 3.14Å; K295-N331 VanDerWaalsContact NZ-O 3.08Å
296E93.4Very high92.2Very high108 Ų10842.8 Ų42.851%0.50521%0.214SC..Hα-helixtrans-63-52.7177.6-175.5172.8-167.800111.5P248 E292 T293 M298 M299 T300P248-E296 HydrophobicContact CB-CG 4.36Å; E292-E296 PolarHBondContact O-N 3.44Å; T293-E296 PolarHBondContact O-N 3.42Å; E296-M298 VanDerWaalsContact C-N 3.33Å; E296-M298 PolarHBondContact O-N 3.36Å; E296-M299 WeakPolarHBondContact O-CA 3.29Å; E296-M299 WeakPolarHBondContact O-CB 3.21Å; E296-M299 PolarHBondContact O-N 3.46Å; E296-T300 PolarHBondContact O-N 3.41Å; E296-T300 PolarHBondContact O-OG1 2.83Å
297A94.6Very high92.5Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-57.6-42.4178.600000112.7P248 I251 C252 I255 T293 T300 T301P248-A297 HydrophobicContact CB-CB 4.3Å; P248-A297 WeakPolarHBondContact O-CB 3.32Å; I251-A297 HydrophobicContact CB-CB 3.71Å; I251-A297 HydrophobicContact CG2-CB 3.54Å; C252-A297 PolarHBondContact SG-O 2.79Å; I255-A297 HydrophobicContact CD1-CB 4.39Å; T293-A297 VanDerWaalsContact O-CB 3.27Å; T293-A297 WeakPolarHBondContact O-CB 3.36Å; T293-A297 PolarHBondContact O-N 2.9Å; A297-T300 PolarHBondContact O-N 3.17Å; A297-T301 WeakPolarHBondContact O-CB 3.27Å; A297-T301 PolarHBondContact O-N 2.93Å; A297-T301 PolarHBondContact O-OG1 3.2Å
298M95.6Very high92.9Very high1 Ų148.6 Ų48.61%0.00525%0.247CC..Hα-helixtrans-67.7-35.1175.9-179.557.172.100112.7I255 L275 I278 L279 L294 E296 T301 L302 W325I255-M298 HydrophobicContact CD1-CE 4.17Å; I255-M298 HydrophobicContact CG2-CE 4.24Å; L275-M298 HydrophobicContact CB-CE 4.27Å; L275-M298 HydrophobicContact CB-CG 4.41Å; L275-M298 HydrophobicContact CB-SD 4.38Å; L275-M298 HydrophobicContact CD2-CE 4.23Å; L275-M298 HydrophobicContact CD2-SD 3.75Å; I278-M298 HydrophobicContact CB-CE 4.44Å; I278-M298 HydrophobicContact CG2-CE 4.12Å; L279-M298 HydrophobicContact CD1-CB 3.97Å; L279-M298 HydrophobicContact CD1-CE 4.21Å; L279-M298 HydrophobicContact CD1-CG 4.36Å; L279-M298 HydrophobicContact CD2-CB 4.23Å; L279-M298 HydrophobicContact CD2-CE 4Å; L279-M298 HydrophobicContact CG-CB 4.41Å; L279-M298 HydrophobicContact CG-CE 3.69Å; L294-M298 WeakPolarHBondContact O-CB 3.33Å; L294-M298 PolarHBondContact O-N 2.86Å; L294-M298 VanDerWaalsContact O-N 3.11Å; E296-M298 VanDerWaalsContact C-N 3.33Å; E296-M298 PolarHBondContact O-N 3.36Å; M298-T301 PolarHBondContact O-N 2.94Å; M298-L302 HydrophobicContact CG-CD1 4.22Å; M298-L302 WeakPolarHBondContact O-CB 3.48Å; M298-L302 WeakPolarHBondContact O-CG 3.26Å; M298-L302 PolarHBondContact O-N 3.27Å; M298-L302 HydrophobicContact SD-CD1 4.29Å; M298-L302 HydrophobicContact SD-CG 4.15Å; M298-W325 HydrophobicContact CB-CD2 4.44Å; M298-W325 HydrophobicContact CB-CZ2 3.68Å; M298-W325 HydrophobicContact CG-CD2 3.78Å; M298-W325 VanDerWaalsContact CG-CE2 3.43Å; M298-W325 HydrophobicContact CG-CE3 4.31Å; M298-W325 HydrophobicContact CG-CG 4.22Å; M298-W325 HydrophobicContact CG-CH2 4.23Å; M298-W325 HydrophobicContact CG-CZ2 3.69Å
299M94.9Very high93.2Very high35 Ų3540.5 Ų40.517%0.17222%0.22CC..Hα-helixtrans-64-49.5173.8177.556.240.700111.2K295 E296 T301 L302 Q303 L322 W325 A326K295-M299 WeakPolarHBondContact O-CB 3.13Å; K295-M299 PolarHBondContact O-N 3.04Å; E296-M299 WeakPolarHBondContact O-CA 3.29Å; E296-M299 WeakPolarHBondContact O-CB 3.21Å; E296-M299 PolarHBondContact O-N 3.46Å; M299-T301 VanDerWaalsContact C-N 3.32Å; M299-T301 PolarHBondContact O-N 3.44Å; M299-L302 PolarHBondContact O-N 2.86Å; M299-Q303 WeakPolarHBondContact O-CG 3.48Å; M299-Q303 PolarHBondContact O-N 2.9Å; M299-Q303 HydrophobicContact SD-CG 4.34Å; M299-L322 HydrophobicContact CE-CD1 3.76Å; M299-L322 HydrophobicContact CE-CG 4.13Å; M299-L322 HydrophobicContact SD-CD1 3.43Å; M299-L322 WeakPolarHBondContact SD-CD1 3.36Å; M299-L322 HydrophobicContact SD-CG 4Å; M299-W325 HydrophobicContact CE-CB 4.03Å; M299-W325 HydrophobicContact CE-CG 4.21Å; M299-A326 HydrophobicContact CE-CB 4.08Å
300T95.1Very high93.5Very high51 Ų5147.9 Ų47.931%0.31325%0.254SS..Hα-helixtrans-61.2-38.7175.7-56.70000112.2E296 A297 Q303 T304E296-T300 PolarHBondContact O-N 3.41Å; E296-T300 PolarHBondContact O-OG1 2.83Å; A297-T300 PolarHBondContact O-N 3.17Å; T300-Q303 PolarHBondContact O-N 3.17Å; T300-T304 WeakPolarHBondContact O-CB 3.24Å; T300-T304 PolarHBondContact O-N 3.27Å; T300-T304 PolarHBondContact O-OG1 2.88Å
301T96Very high93.9Very high1 Ų153.4 Ų53.41%0.00627%0.273CS..Hα-helixtrans-66-44.3176.8-52.20000111.5C252 I255 R256 W266 A297 M298 M299 T304 A305C252-T301 WeakPolarHBondContact CA-OG1 3.32Å; C252-T301 WeakPolarHBondContact CB-OG1 3.31Å; C252-T301 PolarHBondContact SG-OG1 2.7Å; C252-T301 VanDerWaalsContact SG-OG1 3.35Å; I255-T301 HydrophobicContact CB-CG2 4.31Å; I255-T301 HydrophobicContact CG2-CG2 3.87Å; R256-T301 HydrophobicContact CG-CG2 3.93Å; W266-T301 HydrophobicContact CH2-CG2 3.78Å; W266-T301 HydrophobicContact CZ2-CG2 4.02Å; A297-T301 WeakPolarHBondContact O-CB 3.27Å; A297-T301 PolarHBondContact O-N 2.93Å; A297-T301 PolarHBondContact O-OG1 3.2Å; M298-T301 PolarHBondContact O-N 2.94Å; M299-T301 VanDerWaalsContact C-N 3.32Å; M299-T301 PolarHBondContact O-N 3.44Å; T301-T304 PolarHBondContact O-N 2.96Å; T301-A305 WeakPolarHBondContact O-CB 3.42Å; T301-A305 PolarHBondContact O-N 3.25Å
302L96.4Very high94.2Very high1 Ų159.3 Ų59.31%0.00531%0.305CS..Hα-helixtrans-65.9-36.5176.5-74.3168.9000112.7W266 L275 M298 M299 L306 L318 L321 L322 W325W266-L302 HydrophobicContact CE3-CD2 4.08Å; W266-L302 HydrophobicContact CH2-CD2 4.32Å; W266-L302 HydrophobicContact CZ3-CD2 3.58Å; W266-L302 HydrophobicContact CZ3-CG 4.48Å; L275-L302 HydrophobicContact CD1-CD1 4.12Å; L275-L302 HydrophobicContact CD2-CD2 4.39Å; M298-L302 HydrophobicContact CG-CD1 4.22Å; M298-L302 WeakPolarHBondContact O-CB 3.48Å; M298-L302 WeakPolarHBondContact O-CG 3.26Å; M298-L302 PolarHBondContact O-N 3.27Å; M298-L302 HydrophobicContact SD-CD1 4.29Å; M298-L302 HydrophobicContact SD-CG 4.15Å; M299-L302 PolarHBondContact O-N 2.86Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 2.75Å; L302-L318 HydrophobicContact CD2-CD2 4.14Å; L302-L321 HydrophobicContact CD2-CB 4.32Å; L302-L321 HydrophobicContact CD2-CD1 4.43Å; L302-L322 HydrophobicContact CB-CD1 3.54Å; L302-L322 HydrophobicContact CD1-CD1 4.4Å; L302-W325 HydrophobicContact CD1-CB 3.95Å; L302-W325 HydrophobicContact CD1-CG 4.2Å
303Q95.8Very high94.6Very high98 Ų9861.1 Ų61.146%0.45831%0.307SS..Hα-helixtrans-64.8-42.1173.4-72.6174-14.200111.6M299 T300 L306 A307 L322M299-Q303 WeakPolarHBondContact O-CG 3.48Å; M299-Q303 PolarHBondContact O-N 2.9Å; M299-Q303 HydrophobicContact SD-CG 4.34Å; T300-Q303 PolarHBondContact O-N 3.17Å; Q303-L306 PolarHBondContact O-N 3.47Å; Q303-A307 PolarHBondContact O-N 3.34Å; Q303-L322 HydrophobicContact CG-CD1 3.95Å; Q303-L322 HydrophobicContact CG-CD2 4.48Å
304T95Very high94.8Very high39 Ų3960.7 Ų60.724%0.23930%0.304CS..Hα-helixtrans-65-46.7177.5-57.50000110.7T300 T301 L306 A307 E308T300-T304 WeakPolarHBondContact O-CB 3.24Å; T300-T304 PolarHBondContact O-N 3.27Å; T300-T304 PolarHBondContact O-OG1 2.88Å; T301-T304 PolarHBondContact O-N 2.96Å; T304-L306 VanDerWaalsContact C-N 3.26Å; T304-L306 PolarHBondContact O-N 3.43Å; T304-A307 PolarHBondContact O-N 3.39Å; T304-A307 VanDerWaalsContact O-N 3.12Å; T304-E308 HydrophobicContact CG2-CG 4.47Å; T304-E308 VanDerWaalsContact CG2-OE1 3.32Å; T304-E308 WeakPolarHBondContact CG2-OE1 3.41Å; T304-E308 WeakPolarHBondContact O-CG 3.36Å; T304-E308 PolarHBondContact O-N 2.92Å
305A94.9Very high94.9Very high6 Ų661.9 Ų61.95%0.0531%0.311CS..Hα-helixtrans-60.3-33.7174.900000112.9W266 T301 C309 L318W266-A305 HydrophobicContact CD2-CB 4.1Å; W266-A305 VanDerWaalsContact CE2-CB 3.49Å; W266-A305 HydrophobicContact CH2-CB 4.3Å; W266-A305 HydrophobicContact CZ2-CB 3.61Å; T301-A305 WeakPolarHBondContact O-CB 3.42Å; T301-A305 PolarHBondContact O-N 3.25Å; A305-C309 VanDerWaalsContact O-CB 3.26Å; A305-C309 WeakPolarHBondContact O-CB 3.36Å; A305-C309 PolarHBondContact O-N 3.46Å; A305-L318 HydrophobicContact CB-CD1 4.31Å; A305-L318 HydrophobicContact CB-CD2 4.28Å
306L95.6Very high95Very high50 Ų5065.4 Ų65.426%0.26233%0.327SS..Hα-helixtrans-69-40.2174.8-174.2157.5000111.6L302 Q303 T304 E308 C309 L318 K319 L322L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 2.75Å; Q303-L306 PolarHBondContact O-N 3.47Å; T304-L306 VanDerWaalsContact C-N 3.26Å; T304-L306 PolarHBondContact O-N 3.43Å; L306-E308 VanDerWaalsContact C-N 3.35Å; L306-C309 PolarHBondContact O-N 3.46Å; L306-L318 HydrophobicContact CB-CB 4.46Å; L306-K319 HydrophobicContact CD1-CG 3.67Å; L306-L322 HydrophobicContact CD1-CD2 4.48Å
307A95.1Very high95.1Very high90 Ų9062 Ų6274%0.74431%0.312SS*.Hα-helixtrans-69.7-30.2175.800000113.2Q303 T304 C309Q303-A307 PolarHBondContact O-N 3.34Å; T304-A307 PolarHBondContact O-N 3.39Å; T304-A307 VanDerWaalsContact O-N 3.12Å; A307-C309 VanDerWaalsContact C-N 3.35Å
308E94.2Very high95.2Very high118 Ų11862.1 Ų62.155%0.55131%0.312SS*.THydrogen-bonded Turntrans-83.4-4176.1-68.1171.1-179.600113.2R256 T304 L306R256-E308 IonicContact NH1-OE1 2.7Å; R256-E308 PolarHBondContact NH1-OE1 2.88Å; R256-E308 IonicContact NH1-OE2 2.95Å; T304-E308 HydrophobicContact CG2-CG 4.47Å; T304-E308 VanDerWaalsContact CG2-OE1 3.32Å; T304-E308 WeakPolarHBondContact CG2-OE1 3.41Å; T304-E308 WeakPolarHBondContact O-CG 3.36Å; T304-E308 PolarHBondContact O-N 2.92Å; L306-E308 VanDerWaalsContact C-N 3.35Å
309C92.5Very high95.3Very high24 Ų2465.3 Ų65.316%0.16233%0.326CS..  trans-90.7114.6-170.5-179.10000114.2A305 L306 A307 T315 L318A305-C309 VanDerWaalsContact O-CB 3.26Å; A305-C309 WeakPolarHBondContact O-CB 3.36Å; A305-C309 PolarHBondContact O-N 3.46Å; L306-C309 PolarHBondContact O-N 3.46Å; A307-C309 VanDerWaalsContact C-N 3.35Å; C309-T315 PolarHBondContact SG-OG1 3.44Å; C309-L318 HydrophobicContact CB-CD1 3.93Å
310E94.1Very high95.3Very high170 Ų17066 Ų6679%0.79433%0.329SS*.  trans-82.2-12.5177.9-60.1-174.4165.200115.1
311Y94.4Very high95.4Very high138 Ų13863.6 Ų63.654%0.54131%0.314SS..  trans-108.5116.4-170.2-56.2-68.8000113.2W313 L314 T315Y311-W313 VanDerWaalsContact C-N 3.3Å; Y311-W313 PolarHBondContact O-N 3.03Å; Y311-W313 VanDerWaalsContact O-N 3.09Å; Y311-L314 HydrophobicContact CD2-CD2 4.49Å; Y311-L314 WeakPolarHBondContact O-CA 3.42Å; Y311-L314 PolarHBondContact O-N 2.92Å; Y311-T315 PolarHBondContact O-N 3.13Å; Y311-T315 PolarHBondContact O-OG1 3.45Å
312D94.5Very high95.4Very high142 Ų14265.3 Ų65.376%0.75932%0.323SS*.Hα-helixtrans-45.3-46.7-178.5-62.5-30.9000114.8L314 T315 E316D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 3.46Å; D312-T315 WeakPolarHBondContact O-CB 3.45Å; D312-T315 PolarHBondContact O-N 3.19Å; D312-E316 PolarHBondContact O-N 3.45Å
313W96.2Very high95.3Very high163 Ų16372.2 Ų72.262%0.61735%0.349SS*.Hα-helixtrans-68.3-34-177.772.5-91000112.4A267 Y311 H317A267-W313 HydrophobicContact CB-CH2 3.6Å; A267-W313 HydrophobicContact CB-CZ3 3.95Å; Y311-W313 VanDerWaalsContact C-N 3.3Å; Y311-W313 PolarHBondContact O-N 3.03Å; Y311-W313 VanDerWaalsContact O-N 3.09Å; W313-H317 WeakPolarHBondContact O-CB 3.43Å; W313-H317 PolarHBondContact O-N 2.86Å; W313-H317 VanDerWaalsContact O-N 3.08Å
314L95.9Very high95.3Very high18 Ų1872.9 Ų72.99%0.09435%0.348CS..Hα-helixtrans-77.6-35.3176.7-178.160.6000110.1W266 A267 Y311 D312 H317 L318W266-L314 HydrophobicContact CB-CD1 4.08Å; A267-L314 HydrophobicContact CB-CD1 4.24Å; Y311-L314 HydrophobicContact CD2-CD2 4.49Å; Y311-L314 WeakPolarHBondContact O-CA 3.42Å; Y311-L314 PolarHBondContact O-N 2.92Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 3.46Å; L314-H317 CarbonylContact O-C 3.49Å; L314-H317 WeakPolarHBondContact O-CB 3.45Å; L314-H317 PolarHBondContact O-N 3.45Å; L314-L318 HydrophobicContact CD1-CG 4.44Å; L314-L318 HydrophobicContact CG-CD1 4.18Å; L314-L318 HydrophobicContact CG-CG 4.47Å; L314-L318 WeakPolarHBondContact O-CB 3.42Å; L314-L318 WeakPolarHBondContact O-CG 3.46Å; L314-L318 PolarHBondContact O-N 3.11Å
315T95.6Very high95.3Very high25 Ų2571 Ų7115%0.15334%0.336CS..Hα-helixtrans-60.2-44.7171.4-600000111.5C309 Y311 D312 L318 K319C309-T315 PolarHBondContact SG-OG1 3.44Å; Y311-T315 PolarHBondContact O-N 3.13Å; Y311-T315 PolarHBondContact O-OG1 3.45Å; D312-T315 WeakPolarHBondContact O-CB 3.45Å; D312-T315 PolarHBondContact O-N 3.19Å; T315-L318 PolarHBondContact O-N 3.31Å; T315-K319 HydrophobicContact CG2-CD 4.47Å; T315-K319 WeakPolarHBondContact O-CB 3.39Å; T315-K319 VanDerWaalsContact O-CG 3.28Å; T315-K319 WeakPolarHBondContact O-CG 3.36Å; T315-K319 PolarHBondContact O-N 2.68Å
316E95.5Very high95.3Very high95 Ų9572.3 Ų72.344%0.44435%0.347SS..Hα-helixtrans-67.4-33.9173.2-75.1-55125.800113.2D312 K319 M320D312-E316 PolarHBondContact O-N 3.45Å; E316-K319 WeakPolarHBondContact OE1-CD 3.31Å; E316-K319 WeakPolarHBondContact OE1-CE 3.32Å; E316-K319 IonicContact OE1-NZ 3.27Å; E316-K319 PolarHBondContact OE1-NZ 2.87Å; E316-M320 VanDerWaalsContact O-CB 3.31Å; E316-M320 WeakPolarHBondContact O-CB 3.49Å; E316-M320 PolarHBondContact O-N 3.47Å
317H96.1Very high95.2Very high37 Ų3777 Ų7717%0.17137%0.365CS..Hα-helixtrans-65.9-44.9172.8177.389.8000112.1W266 L269 W313 L314 M320 L321W266-H317 PolarHBondContact O-NE2 3.21Å; L269-H317 PolarHBondContact O-CE1 3.25Å; L269-H317 PolarHBondContact O-NE2 2.89Å; L269-H317 VanDerWaalsContact O-NE2 3.1Å; W313-H317 WeakPolarHBondContact O-CB 3.43Å; W313-H317 PolarHBondContact O-N 2.86Å; W313-H317 VanDerWaalsContact O-N 3.08Å; L314-H317 CarbonylContact O-C 3.49Å; L314-H317 WeakPolarHBondContact O-CB 3.45Å; L314-H317 PolarHBondContact O-N 3.45Å; H317-M320 CarbonylContact O-C 3.49Å; H317-M320 WeakPolarHBondContact O-CA 3.37Å; H317-M320 WeakPolarHBondContact O-CB 3.4Å; H317-M320 PolarHBondContact O-N 2.98Å; H317-M320 VanDerWaalsContact O-N 3.12Å; H317-L321 WeakPolarHBondContact NE2-CD1 3.44Å; H317-L321 PolarHBondContact O-N 3.06Å
318L96.6Very high94.9Very high2 Ų273.5 Ų73.51%0.0133%0.334CS..Hα-helixtrans-64.3-43.3175.6-74.2169.1000111.3W266 L302 A305 L306 C309 L314 T315 M320 L321 L322W266-L318 HydrophobicContact CB-CD2 4.18Å; W266-L318 HydrophobicContact CD2-CD2 4.06Å; W266-L318 HydrophobicContact CE3-CD2 3.95Å; W266-L318 HydrophobicContact CG-CD2 4.17Å; L302-L318 HydrophobicContact CD2-CD2 4.14Å; A305-L318 HydrophobicContact CB-CD1 4.31Å; A305-L318 HydrophobicContact CB-CD2 4.28Å; L306-L318 HydrophobicContact CB-CB 4.46Å; C309-L318 HydrophobicContact CB-CD1 3.93Å; L314-L318 HydrophobicContact CD1-CG 4.44Å; L314-L318 HydrophobicContact CG-CD1 4.18Å; L314-L318 HydrophobicContact CG-CG 4.47Å; L314-L318 WeakPolarHBondContact O-CB 3.42Å; L314-L318 WeakPolarHBondContact O-CG 3.46Å; L314-L318 PolarHBondContact O-N 3.11Å; T315-L318 PolarHBondContact O-N 3.31Å; L318-M320 PolarHBondContact O-N 3.11Å; L318-L321 PolarHBondContact O-N 2.85Å; L318-L322 VanDerWaalsContact O-CB 3.29Å; L318-L322 WeakPolarHBondContact O-CB 3.49Å; L318-L322 PolarHBondContact O-N 2.91Å
319K96.3Very high94.7Very high69 Ų6969.6 Ų69.630%0.332%0.321SS..Hα-helixtrans-56.5-39.4170-73.9169.7-174.2171.50111.8L306 T315 E316 R323L306-K319 HydrophobicContact CD1-CG 3.67Å; T315-K319 HydrophobicContact CG2-CD 4.47Å; T315-K319 WeakPolarHBondContact O-CB 3.39Å; T315-K319 VanDerWaalsContact O-CG 3.28Å; T315-K319 WeakPolarHBondContact O-CG 3.36Å; T315-K319 PolarHBondContact O-N 2.68Å; E316-K319 WeakPolarHBondContact OE1-CD 3.31Å; E316-K319 WeakPolarHBondContact OE1-CE 3.32Å; E316-K319 IonicContact OE1-NZ 3.27Å; E316-K319 PolarHBondContact OE1-NZ 2.87Å; K319-R323 WeakPolarHBondContact O-CB 3.34Å; K319-R323 VanDerWaalsContact O-CG 3.25Å; K319-R323 WeakPolarHBondContact O-CG 3.41Å; K319-R323 PolarHBondContact O-N 3.36Å
320M96.2Very high94.5Very high49 Ų4974.6 Ų74.624%0.24135%0.346CS..Hα-helixtrans-67.3-43.9177.4179.3-74.1-57.400111.8E316 H317 L318 R324E316-M320 VanDerWaalsContact O-CB 3.31Å; E316-M320 WeakPolarHBondContact O-CB 3.49Å; E316-M320 PolarHBondContact O-N 3.47Å; H317-M320 CarbonylContact O-C 3.49Å; H317-M320 WeakPolarHBondContact O-CA 3.37Å; H317-M320 WeakPolarHBondContact O-CB 3.4Å; H317-M320 PolarHBondContact O-N 2.98Å; H317-M320 VanDerWaalsContact O-N 3.12Å; L318-M320 PolarHBondContact O-N 3.11Å; M320-R324 WeakPolarHBondContact O-CG 3.39Å; M320-R324 PolarHBondContact O-N 3.35Å; M320-R324 HydrophobicContact SD-CG 4.31Å; M320-R324 PolarHBondContact SD-NE 3.28Å; M320-R324 PolarHBondContact SD-NH2 2.81Å
321L96.2Very high94Very high0 Ų069.8 Ų69.80%033%0.326CS..Hα-helixtrans-62.2-46.4172.7-73.3179.6000111.7L269 L275 L302 H317 L318 R323 R324 W325L269-L321 HydrophobicContact CB-CD1 4.11Å; L275-L321 HydrophobicContact CD1-CD2 4.44Å; L302-L321 HydrophobicContact CD2-CB 4.32Å; L302-L321 HydrophobicContact CD2-CD1 4.43Å; H317-L321 WeakPolarHBondContact NE2-CD1 3.44Å; H317-L321 PolarHBondContact O-N 3.06Å; L318-L321 PolarHBondContact O-N 2.85Å; L321-R323 PolarHBondContact O-N 3.22Å; L321-R324 CarbonylContact O-C 3.49Å; L321-R324 WeakPolarHBondContact O-CA 2.83Å; L321-R324 WeakPolarHBondContact O-CB 3.33Å; L321-R324 PolarHBondContact O-N 3.47Å; L321-W325 PolarHBondContact O-N 3.4Å
322L95.7Very high92.9Very high37 Ų3769.3 Ų69.319%0.19434%0.34CS..Hα-helixtrans-56.4-47.8177.9-16278.2000111.6M299 L302 Q303 L306 L318 R324 W325 A326M299-L322 HydrophobicContact CE-CD1 3.76Å; M299-L322 HydrophobicContact CE-CG 4.13Å; M299-L322 HydrophobicContact SD-CD1 3.43Å; M299-L322 WeakPolarHBondContact SD-CD1 3.36Å; M299-L322 HydrophobicContact SD-CG 4Å; L302-L322 HydrophobicContact CB-CD1 3.54Å; L302-L322 HydrophobicContact CD1-CD1 4.4Å; Q303-L322 HydrophobicContact CG-CD1 3.95Å; Q303-L322 HydrophobicContact CG-CD2 4.48Å; L306-L322 HydrophobicContact CD1-CD2 4.48Å; L318-L322 VanDerWaalsContact O-CB 3.29Å; L318-L322 WeakPolarHBondContact O-CB 3.49Å; L318-L322 PolarHBondContact O-N 2.91Å; L322-R324 PolarHBondContact O-N 3.13Å; L322-W325 PolarHBondContact O-N 3.46Å; L322-A326 WeakPolarHBondContact O-CB 3.38Å; L322-A326 PolarHBondContact O-N 3.31Å
323R95.9Very high91.6Very high146 Ų14666.9 Ų66.955%0.55133%0.327SS*.Hα-helixtrans-63.5-26175.1-71175.2-157147.68.2113.6K319 L321 K327K319-R323 WeakPolarHBondContact O-CB 3.34Å; K319-R323 VanDerWaalsContact O-CG 3.25Å; K319-R323 WeakPolarHBondContact O-CG 3.41Å; K319-R323 PolarHBondContact O-N 3.36Å; L321-R323 PolarHBondContact O-N 3.22Å; R323-K327 WeakPolarHBondContact O-CD 3.4Å; R323-K327 WeakPolarHBondContact O-CG 3.39Å
324R94.4Very high90.4Very high112 Ų11264.7 Ų64.742%0.42332%0.322SS..Hα-helixtrans-81.9-40.8174.3-72-176-174.9177.513.8111.4A270 V272 M320 L321 L322 K327 E328A270-R324 PolarHBondContact O-NH1 2.97Å; V272-R324 HydrophobicContact CG2-CB 3.7Å; M320-R324 WeakPolarHBondContact O-CG 3.39Å; M320-R324 PolarHBondContact O-N 3.35Å; M320-R324 HydrophobicContact SD-CG 4.31Å; M320-R324 PolarHBondContact SD-NE 3.28Å; M320-R324 PolarHBondContact SD-NH2 2.81Å; L321-R324 CarbonylContact O-C 3.49Å; L321-R324 WeakPolarHBondContact O-CA 2.83Å; L321-R324 WeakPolarHBondContact O-CB 3.33Å; L321-R324 PolarHBondContact O-N 3.47Å; L322-R324 PolarHBondContact O-N 3.13Å; R324-K327 PolarHBondContact O-N 2.91Å; R324-E328 PolarHBondContact O-N 2.76Å
325W95.4Very high89.4Confident0 Ų063.9 Ų63.90%032%0.317CS..Hα-helixtrans-67.8-42.3177.8-166-102.6000111.9V272 L275 W276 L279 K295 M298 M299 L302 L321 L322 K327 E328 A329V272-W325 HydrophobicContact CG1-CE3 3.94Å; V272-W325 HydrophobicContact CG1-CZ3 3.84Å; L275-W325 HydrophobicContact CB-CE3 3.73Å; L275-W325 HydrophobicContact CB-CH2 4.26Å; L275-W325 HydrophobicContact CB-CZ3 3.49Å; L275-W325 VanDerWaalsContact CB-CZ3 3.49Å; L275-W325 HydrophobicContact CD1-CB 4.35Å; L275-W325 HydrophobicContact CD1-CD2 4.2Å; L275-W325 HydrophobicContact CD1-CE3 3.56Å; L275-W325 HydrophobicContact CD1-CZ3 4.23Å; L275-W325 HydrophobicContact CG-CE3 4.3Å; W276-W325 AromaticContact CD1-CH2 3.9Å; W276-W325 AromaticContact CD1-CZ3 3.74Å; W276-W325 AromaticContact CD2-CH2 3.54Å; W276-W325 HydrophobicContact CD2-CH2 3.54Å; W276-W325 HydrophobicContact CD2-CZ3 4.19Å; W276-W325 AromaticContact CE2-CH2 3.37Å; W276-W325 AromaticContact CE2-CZ3 3.88Å; W276-W325 HydrophobicContact CE3-CH2 4.03Å; W276-W325 AromaticContact CG-CH2 3.85Å; W276-W325 HydrophobicContact CG-CH2 3.85Å; W276-W325 HydrophobicContact CG-CZ3 4.08Å; W276-W325 HydrophobicContact CH2-CH2 4.17Å; W276-W325 HydrophobicContact CH2-CZ2 4.33Å; W276-W325 AromaticContact CZ2-CH2 3.73Å; W276-W325 HydrophobicContact CZ2-CH2 3.73Å; W276-W325 HydrophobicContact CZ2-CZ2 4.15Å; W276-W325 HydrophobicContact CZ2-CZ3 4.48Å; W276-W325 HydrophobicContact CZ3-CH2 4.31Å; W276-W325 AromaticContact NE1-CH2 3.61Å; W276-W325 AromaticContact NE1-CZ3 3.6Å; L279-W325 HydrophobicContact CD1-CH2 3.45Å; L279-W325 VanDerWaalsContact CD1-CH2 3.45Å; L279-W325 HydrophobicContact CD1-CZ2 3.51Å; K295-W325 HydrophobicContact CG-CZ2 4.39Å; K295-W325 PolarHBondContact O-NE1 2.96Å; M298-W325 HydrophobicContact CB-CD2 4.44Å; M298-W325 HydrophobicContact CB-CZ2 3.68Å; M298-W325 HydrophobicContact CG-CD2 3.78Å; M298-W325 VanDerWaalsContact CG-CE2 3.43Å; M298-W325 HydrophobicContact CG-CE3 4.31Å; M298-W325 HydrophobicContact CG-CG 4.22Å; M298-W325 HydrophobicContact CG-CH2 4.23Å; M298-W325 HydrophobicContact CG-CZ2 3.69Å; M299-W325 HydrophobicContact CE-CB 4.03Å; M299-W325 HydrophobicContact CE-CG 4.21Å; L302-W325 HydrophobicContact CD1-CB 3.95Å; L302-W325 HydrophobicContact CD1-CG 4.2Å; L321-W325 PolarHBondContact O-N 3.4Å; L322-W325 PolarHBondContact O-N 3.46Å; W325-K327 VanDerWaalsContact C-N 3.3Å; W325-K327 PolarHBondContact O-N 3.22Å; W325-E328 CarbonylContact O-C 3.56Å; W325-E328 WeakPolarHBondContact O-CA 3.49Å; W325-E328 PolarHBondContact O-N 3.14Å; W325-A329 PolarHBondContact O-N 3.2Å
326A94.4Very high88.6Confident33 Ų3368.3 Ų68.327%0.27334%0.335SS..Hα-helixtrans-53.9-46.2174.400000111.7M299 L322 E328 A329 D330M299-A326 HydrophobicContact CE-CB 4.08Å; L322-A326 WeakPolarHBondContact O-CB 3.38Å; L322-A326 PolarHBondContact O-N 3.31Å; A326-E328 PolarHBondContact O-N 2.95Å; A326-A329 WeakPolarHBondContact O-CB 3.29Å; A326-A329 PolarHBondContact O-N 2.89Å; A326-A329 VanDerWaalsContact O-N 3.14Å; A326-D330 WeakPolarHBondContact O-CB 3.47Å; A326-D330 VanDerWaalsContact O-CG 3.22Å; A326-D330 PolarHBondContact O-N 3.03Å
327K92.9Very high87.8Confident148 Ų14865.1 Ų65.164%0.64332%0.32SS*.Hα-helixtrans-62.9-24.9175.1-69.4173.1-175.41770114.2R323 R324 W325 N331R323-K327 WeakPolarHBondContact O-CD 3.4Å; R323-K327 WeakPolarHBondContact O-CG 3.39Å; R324-K327 PolarHBondContact O-N 2.91Å; W325-K327 VanDerWaalsContact C-N 3.3Å; W325-K327 PolarHBondContact O-N 3.22Å; K327-N331 VanDerWaalsContact O-CG 3.31Å; K327-N331 PolarHBondContact O-ND2 2.86Å
328E90.4Very high87.1Confident18 Ų1863.9 Ų63.98%0.08431%0.314CS..Hα-helixtrans-88.4-30.9174.9-169.967176.100112V272 W276 K295 R324 W325 A326 N331 S335V272-E328 HydrophobicContact CG1-CB 3.96Å; V272-E328 HydrophobicContact CG1-CG 3.77Å; W276-E328 HydrophobicContact CZ2-CG 4.21Å; K295-E328 WeakPolarHBondContact CE-O 3.46Å; K295-E328 PolarHBondContact NZ-O 2.96Å; R324-E328 PolarHBondContact O-N 2.76Å; W325-E328 CarbonylContact O-C 3.56Å; W325-E328 WeakPolarHBondContact O-CA 3.49Å; W325-E328 PolarHBondContact O-N 3.14Å; A326-E328 PolarHBondContact O-N 2.95Å; E328-N331 PolarHBondContact O-N 3.06Å; E328-N331 PolarHBondContact OE2-ND2 3.17Å; E328-S335 WeakPolarHBondContact OE1-CA 3.33Å; E328-S335 WeakPolarHBondContact OE1-CB 3.37Å; E328-S335 PolarHBondContact OE1-OG 3.49Å
329A89.6Confident86.3Confident35 Ų3569.4 Ų69.429%0.28934%0.335SS..Hα-helixtrans-62.9-51.3170.800000110.3K295 W325 A326 N331K295-A329 HydrophobicContact CB-CB 4.3Å; K295-A329 HydrophobicContact CD-CB 4.5Å; K295-A329 HydrophobicContact CG-CB 4.49Å; K295-A329 PolarHBondContact NZ-O 3.08Å; W325-A329 PolarHBondContact O-N 3.2Å; A326-A329 WeakPolarHBondContact O-CB 3.29Å; A326-A329 PolarHBondContact O-N 2.89Å; A326-A329 VanDerWaalsContact O-N 3.14Å; A329-N331 PolarHBondContact O-N 3.07Å; A329-N331 VanDerWaalsContact O-N 3.14Å
330D88.4Confident85.3Confident129 Ų12974.3 Ų74.369%0.6935%0.352SS*.SBendtrans-61.3-18.2178.1-69.7-21.1000114.3A326 P332A326-D330 WeakPolarHBondContact O-CB 3.47Å; A326-D330 VanDerWaalsContact O-CG 3.22Å; A326-D330 PolarHBondContact O-N 3.03Å; D330-P332 WeakPolarHBondContact O-CD 3.44Å; D330-P332 VanDerWaalsContact O-N 3.15Å
331N83.9Confident84.4Confident69 Ų6973.4 Ų73.437%0.36935%0.348SS..  trans-66.5111.6177.1-83-39.9000109.7K295 K327 E328 A329 D333K295-N331 PolarHBondContact NZ-O 3.14Å; K295-N331 VanDerWaalsContact NZ-O 3.08Å; K327-N331 VanDerWaalsContact O-CG 3.31Å; K327-N331 PolarHBondContact O-ND2 2.86Å; E328-N331 PolarHBondContact O-N 3.06Å; E328-N331 PolarHBondContact OE2-ND2 3.17Å; A329-N331 PolarHBondContact O-N 3.07Å; A329-N331 VanDerWaalsContact O-N 3.14Å; N331-D333 VanDerWaalsContact C-N 3.26Å; N331-D333 PolarHBondContact O-N 3.1Å
332P69.8Low83.5Confident128 Ų12876.4 Ų76.483%0.83136%0.363SS*.SBendtrans-78.6-13.9-17734.7-36.7000112.2D330D330-P332 WeakPolarHBondContact O-CD 3.44Å; D330-P332 VanDerWaalsContact O-N 3.15Å
333D69Low82.4Confident91 Ų9180.6 Ų80.649%0.48739%0.385SS..SBendtrans-79.3123164-77.4-25.3000108.4N331 S335 K336N331-D333 VanDerWaalsContact C-N 3.26Å; N331-D333 PolarHBondContact O-N 3.1Å; D333-S335 PolarHBondContact O-N 3.49Å; D333-K336 IonicContact OD2-NZ 3.2Å; D333-K336 PolarHBondContact OD2-NZ 2.94Å
334K69.4Low81.1Confident118 Ų11878.8 Ų78.851%0.51339%0.39SS..  trans-33.8128168.6-65.8-167.5176.1-160.30111.9E291 K336 R339E291-K334 WeakPolarHBondContact OE2-CA 3.42Å; E291-K334 WeakPolarHBondContact OE2-CB 3.5Å; K334-K336 PolarHBondContact O-N 3.32Å; K334-R339 VanDerWaalsContact O-CZ 3.23Å; K334-R339 PolarHBondContact O-NE 3.1Å; K334-R339 PolarHBondContact O-NH2 3.39Å
335S75.4Confident79.4Confident0 Ų075.1 Ų75.10%038%0.381CS..  trans-43.1122.2-169.1170.60000111.9W276 E291 E328 D333 I337 R338 R339W276-S335 VanDerWaalsContact CZ2-CB 3.44Å; W276-S335 PolarHBondContact NE1-OG 3.46Å; E291-S335 WeakPolarHBondContact OE1-CB 3.45Å; E291-S335 PolarHBondContact OE1-N 2.94Å; E291-S335 PolarHBondContact OE2-N 3.27Å; E328-S335 WeakPolarHBondContact OE1-CA 3.33Å; E328-S335 WeakPolarHBondContact OE1-CB 3.37Å; E328-S335 PolarHBondContact OE1-OG 3.49Å; D333-S335 PolarHBondContact O-N 3.49Å; S335-I337 PolarHBondContact O-N 2.91Å; S335-I337 PolarHBondContact OG-N 3.36Å; S335-R338 PolarHBondContact OG-N 2.96Å; S335-R339 WeakPolarHBondContact O-CB 3.43Å; S335-R339 WeakPolarHBondContact O-CG 3.34Å; S335-R339 PolarHBondContact O-N 3.35Å
336K80Confident77.5Confident118 Ų11876.9 Ų76.951%0.51340%0.396SS..Hα-helixtrans-70.3-24.3175.6-71.5167.2-174.6144.80110.6D333 K334 R340D333-K336 IonicContact OD2-NZ 3.2Å; D333-K336 PolarHBondContact OD2-NZ 2.94Å; K334-K336 PolarHBondContact O-N 3.32Å; K336-R340 WeakPolarHBondContact O-CD 3.27Å; K336-R340 VanDerWaalsContact O-CG 3.24Å; K336-R340 WeakPolarHBondContact O-CG 3.34Å; K336-R340 PolarHBondContact O-N 3.27Å
337I78.1Confident75.4Confident28 Ų2883.8 Ų83.814%0.14442%0.423CS..Hα-helixtrans-74.7-56.2175.2-63.8170.6000108.9V272 E273 S335 R339 R340 L341V272-I337 HydrophobicContact CB-CD1 3.9Å; V272-I337 HydrophobicContact CG1-CD1 3.63Å; E273-I337 HydrophobicContact CB-CG2 4.42Å; E273-I337 HydrophobicContact CG-CG2 3.88Å; S335-I337 PolarHBondContact O-N 2.91Å; S335-I337 PolarHBondContact OG-N 3.36Å; I337-R339 VanDerWaalsContact C-N 3.31Å; I337-R339 PolarHBondContact O-N 3.15Å; I337-R340 CarbonylContact O-C 3.5Å; I337-R340 WeakPolarHBondContact O-CA 3.4Å; I337-R340 WeakPolarHBondContact O-CB 3.38Å; I337-R340 PolarHBondContact O-N 2.86Å; I337-L341 HydrophobicContact CG2-CD1 3.92Å; I337-L341 HydrophobicContact CG2-CG 4.37Å; I337-L341 PolarHBondContact O-N 3.25Å
338R80.5Confident73.2Confident12 Ų1277.9 Ų77.95%0.04540%0.404CS..Hα-helixtrans-55-44.7175.7-159.9-167.6-170.3179.90.1112.2W276 D280 L294 S335 R340 L341 L342W276-R338 HydrophobicContact CD2-CB 3.77Å; W276-R338 HydrophobicContact CD2-CG 3.93Å; W276-R338 HydrophobicContact CE3-CB 3.94Å; W276-R338 HydrophobicContact CE3-CG 3.64Å; W276-R338 HydrophobicContact CG-CB 4.24Å; W276-R338 HydrophobicContact CG-CG 4.46Å; W276-R338 HydrophobicContact CZ2-CB 4.37Å; W276-R338 HydrophobicContact CZ3-CB 4.34Å; W276-R338 VanDerWaalsContact CZ3-CD 3.48Å; W276-R338 HydrophobicContact CZ3-CG 4.09Å; D280-R338 IonicContact OD1-CZ 3.15Å; D280-R338 IonicContact OD1-NE 3.84Å; D280-R338 PolarHBondContact OD1-NE 2.93Å; D280-R338 VanDerWaalsContact OD1-NE 3.11Å; D280-R338 IonicContact OD1-NH2 2.9Å; D280-R338 PolarHBondContact OD1-NH2 3.15Å; L294-R338 VanDerWaalsContact CD1-NH1 3.27Å; S335-R338 PolarHBondContact OG-N 2.96Å; R338-R340 PolarHBondContact O-N 2.77Å; R338-L341 PolarHBondContact O-N 3.29Å; R338-L342 HydrophobicContact CG-CD1 3.96Å; R338-L342 HydrophobicContact CG-CG 4.19Å; R338-L342 WeakPolarHBondContact O-CB 3.4Å; R338-L342 VanDerWaalsContact O-CG 3.31Å; R338-L342 WeakPolarHBondContact O-CG 3.39Å; R338-L342 PolarHBondContact O-N 2.93Å
339R79.5Confident71.1Confident117 Ų11781.3 Ų81.344%0.44242%0.416SS..Hα-helixtrans-60.8-30.1175.2-77-170.8-81.6175.8-9.9113.6K334 S335 I337 L343K334-R339 VanDerWaalsContact O-CZ 3.23Å; K334-R339 PolarHBondContact O-NE 3.1Å; K334-R339 PolarHBondContact O-NH2 3.39Å; S335-R339 WeakPolarHBondContact O-CB 3.43Å; S335-R339 WeakPolarHBondContact O-CG 3.34Å; S335-R339 PolarHBondContact O-N 3.35Å; I337-R339 VanDerWaalsContact C-N 3.31Å; I337-R339 PolarHBondContact O-N 3.15Å; R339-L343 WeakPolarHBondContact O-CB 3.15Å; R339-L343 WeakPolarHBondContact O-CD1 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.23Å; R339-L343 PolarHBondContact O-N 3.47Å
340R77Confident68.6Low173 Ų17384 Ų8465%0.65343%0.433SS*.Hα-helixtrans-76.4-43.9172.6-74.8168.1179.7173.51.2111.8K336 I337 R338 L343 V344K336-R340 WeakPolarHBondContact O-CD 3.27Å; K336-R340 VanDerWaalsContact O-CG 3.24Å; K336-R340 WeakPolarHBondContact O-CG 3.34Å; K336-R340 PolarHBondContact O-N 3.27Å; I337-R340 CarbonylContact O-C 3.5Å; I337-R340 WeakPolarHBondContact O-CA 3.4Å; I337-R340 WeakPolarHBondContact O-CB 3.38Å; I337-R340 PolarHBondContact O-N 2.86Å; R338-R340 PolarHBondContact O-N 2.77Å; R340-L343 PolarHBondContact O-N 3.03Å; R340-V344 WeakPolarHBondContact O-CG2 3.41Å; R340-V344 PolarHBondContact O-N 3.04Å
341L76.1Confident66.7Low30 Ų3083.5 Ų83.516%0.15743%0.429CS..Hα-helixtrans-62-44177.7-66.8172.4000111.4W276 L277 I337 R338 L343 V344 S345W276-L341 HydrophobicContact CB-CD1 3.81Å; W276-L341 HydrophobicContact CG-CD1 4.42Å; L277-L341 HydrophobicContact CD2-CD2 4.12Å; L277-L341 HydrophobicContact CG-CD2 4.43Å; I337-L341 HydrophobicContact CG2-CD1 3.92Å; I337-L341 HydrophobicContact CG2-CG 4.37Å; I337-L341 PolarHBondContact O-N 3.25Å; R338-L341 PolarHBondContact O-N 3.29Å; L341-L343 PolarHBondContact O-N 3.2Å; L341-V344 PolarHBondContact O-N 3.41Å; L341-S345 VanDerWaalsContact O-CB 3.3Å; L341-S345 WeakPolarHBondContact O-CB 3.33Å; L341-S345 PolarHBondContact O-N 2.86Å; L341-S345 PolarHBondContact O-OG 3.37Å
342L77.5Confident64.8Low63 Ų6385.3 Ų85.333%0.3344%0.444SS..Hα-helixtrans-63.3-37.3172.4-70173000112.3R338 S345 A346R338-L342 HydrophobicContact CG-CD1 3.96Å; R338-L342 HydrophobicContact CG-CG 4.19Å; R338-L342 WeakPolarHBondContact O-CB 3.4Å; R338-L342 VanDerWaalsContact O-CG 3.31Å; R338-L342 WeakPolarHBondContact O-CG 3.39Å; R338-L342 PolarHBondContact O-N 2.93Å; L342-S345 CarbonylContact O-C 3.57Å; L342-S345 PolarHBondContact O-N 2.79Å; L342-A346 WeakPolarHBondContact O-CA 3.38Å; L342-A346 WeakPolarHBondContact O-CB 3.44Å; L342-A346 PolarHBondContact O-N 3.35Å
343L72.6Confident63.1Low125 Ų12581.5 Ų81.565%0.65443%0.428SS*.Hα-helixtrans-68.7-38.8174.9-79.8169.1000112.6R339 R340 L341 S345 A346R339-L343 WeakPolarHBondContact O-CB 3.15Å; R339-L343 WeakPolarHBondContact O-CD1 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.23Å; R339-L343 PolarHBondContact O-N 3.47Å; R340-L343 PolarHBondContact O-N 3.03Å; L341-L343 PolarHBondContact O-N 3.2Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-A346 PolarHBondContact O-N 3.07Å
344V68.9Low61.9Low107 Ų10785.1 Ų85.165%0.64844%0.442SS*.Hα-helixtrans-69.8-30.5174.4172.20000111.3R340 L341R340-V344 WeakPolarHBondContact O-CG2 3.41Å; R340-V344 PolarHBondContact O-N 3.04Å; L341-V344 PolarHBondContact O-N 3.41Å
345S59.6Low60.7Low35 Ų3586.6 Ų86.625%0.24546%0.455CS..Hα-helixtrans-85.7-15.6175.9-52.90000113.5L341 L342 L343 E347 G348L341-S345 VanDerWaalsContact O-CB 3.3Å; L341-S345 WeakPolarHBondContact O-CB 3.33Å; L341-S345 PolarHBondContact O-N 2.86Å; L341-S345 PolarHBondContact O-OG 3.37Å; L342-S345 CarbonylContact O-C 3.57Å; L342-S345 PolarHBondContact O-N 2.79Å; L343-S345 VanDerWaalsContact C-N 3.31Å; S345-E347 PolarHBondContact O-N 3.04Å; S345-G348 PolarHBondContact O-N 2.7Å
346A53.9Low59.3Low38 Ų3894.3 Ų94.331%0.31449%0.491SS..G310 helixtrans-77.1-7.9-178.600000113.3L342 L343 G348 I351L342-A346 WeakPolarHBondContact O-CA 3.38Å; L342-A346 WeakPolarHBondContact O-CB 3.44Å; L342-A346 PolarHBondContact O-N 3.35Å; L343-A346 PolarHBondContact O-N 3.07Å; A346-G348 PolarHBondContact O-N 2.97Å; A346-I351 HydrophobicContact CB-CD1 4.26Å
347E50.2Low57.5Low178 Ų17893 Ų9383%0.83249%0.492SS*.G310 helixtrans-72.30170.2-75.2169.9145.200112.7S345S345-E347 PolarHBondContact O-N 3.04Å
348G47.6Very low55.7Low23 Ų2396 Ų9624%0.23751%0.514CS..G310 helixtrans-15540.8169.200000115.1E34 Q37 S345 A346E34-G348 VanDerWaalsContact OE1-CA 3.31Å; E34-G348 WeakPolarHBondContact OE1-CA 3.28Å; Q37-G348 PolarHBondContact NE2-O 3.05Å; Q37-G348 PolarHBondContact OE1-O 3.29Å; S345-G348 PolarHBondContact O-N 2.7Å; A346-G348 PolarHBondContact O-N 2.97Å
349R46.4Very low53.6Low90 Ų90101.1 Ų101.134%0.3455%0.549SS..  trans-142.2127.2172.3-66.3-172.2-160.7-171.13.7113.3Q284 I351Q284-R349 VanDerWaalsContact CD-CZ 3.46Å; Q284-R349 VanDerWaalsContact CD-NH1 3.34Å; R349-I351 PolarHBondContact O-N 3.47Å
350S38Very low51.9Low92 Ų92102.9 Ų102.964%0.64357%0.566SS**  trans-72.684.2165.753.20000111.5P352S350-P352 WeakPolarHBondContact O-CD 3.31Å
351I47Very low50.3Low119 Ų11998.9 Ų98.961%0.6157%0.57SS**PPolyproline II helixtrans-60.1128.2167.3-56.5174.9000108.3A346 R349A346-I351 HydrophobicContact CB-CD1 4.26Å; R349-I351 PolarHBondContact O-N 3.47Å
352P43.9Very low48.7Very low107 Ų107106.8 Ų106.870%0.69560%0.603SS**PPolyproline II helixtrans-53.5151173.9-2836.3000112.6S350S350-P352 WeakPolarHBondContact O-CD 3.31Å
353G35.2Very low47.2Very low47 Ų47113.7 Ų113.749%0.48563%0.631SS.*PPolyproline II helixtrans-53.6162.8-158.800000117.7D355 H356G353-D355 PolarHBondContact O-N 2.76Å; G353-H356 PolarHBondContact O-N 3.41Å
354H43.1Very low45.8Very low167 Ų167112.9 Ų112.977%0.77364%0.635SS**G310 helixtrans-58.1-6.8-175-158.6-48.1000114.7
355D44.1Very low44.5Very low150 Ų150119.6 Ų119.680%0.80265%0.649SS**G310 helixtrans-84.3-12.3-175.1-58.2-41.8000114.3G353G353-D355 PolarHBondContact O-N 2.76Å
356H45.4Very low43.9Very low162 Ų162126.8 Ų126.875%0.7568%0.676SS**G310 helixtrans-101.85.6177.2-58.2-57000114.3G353 P358G353-H356 PolarHBondContact O-N 3.41Å; H356-P358 WeakPolarHBondContact O-CD 3.42Å
357V44.1Very low43.5Very low89 Ų89136.1 Ų136.154%0.53970%0.703SS.*SBendtrans-84116.6164.8-1790000107.7
358P39.6Very low43.2Very low92 Ų92134.7 Ų134.760%0.59770%0.701SS**PPolyproline II helixtrans-52.2128176.6-26.334.5000109.4H356 L360H356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-L360 PolarHBondContact O-N 2.95Å
359P36.9Very low42.8Very low120 Ų120140.6 Ų140.678%0.77973%0.727SS**PPolyproline II helixtrans-57119-168.821.3-33000108.5A361P359-A361 PolarHBondContact O-N 3.45Å
360L43.4Very low42.9Very low153 Ų153145.3 Ų145.380%0.80175%0.75SS**  trans-46.6106.4179.3-86.7168.4000108.1P358 K362P358-L360 PolarHBondContact O-N 2.95Å; L360-K362 PolarHBondContact O-N 3.32Å
361A42.1Very low43.5Very low89 Ų89149.1 Ų149.174%0.73676%0.758SS**  trans-65.891.7-178.600000106.9P359 K363P359-A361 PolarHBondContact O-N 3.45Å; A361-K363 PolarHBondContact O-N 3.46Å
362K43.6Very low43.3Very low196 Ų196149.1 Ų149.185%0.85277%0.768SS**  trans-6284.7177.1-73.3172.6-177.7169.50106.9L360 S364L360-K362 PolarHBondContact O-N 3.32Å; K362-S364 VanDerWaalsContact O-CA 3.31Å; K362-S364 WeakPolarHBondContact O-CA 3.37Å; K362-S364 PolarHBondContact O-N 3.25Å
363K45.7Very low43.4Very low209 Ų209152 Ų15291%0.90978%0.776SS**  trans-49.4116.7177.5-82-173.8176.9175.40106.9A361A361-K363 PolarHBondContact O-N 3.46Å
364S42.4Very low44Very low107 Ų107154 Ų15475%0.74879%0.788SS**  trans-71.5149.9-14857.70000112.4K362 K366K362-S364 VanDerWaalsContact O-CA 3.31Å; K362-S364 WeakPolarHBondContact O-CA 3.37Å; K362-S364 PolarHBondContact O-N 3.25Å; S364-K366 PolarHBondContact O-N 2.84Å
365R42Very low44.4Very low248 Ų248153.9 Ų153.994%0.93679%0.792SS**  trans-27.5118.1167.8-73.5168.7159.2165.2-7113.4
366K47.3Very low44.6Very low187 Ų187155.6 Ų155.681%0.81380%0.797SS**  trans-142.495.5148-137.2163.3-172.3170.80113.4S364S364-K366 PolarHBondContact O-N 2.84Å
367R46.6Very low44.4Very low234 Ų234151.2 Ų151.288%0.88380%0.796SS**SBendtrans57.488.5150.6-62.7179.7172.7171.2-3.8118.4
368N42.6Very low44.8Very low148 Ų148154.3 Ų154.379%0.79181%0.808SS**  -149.5106.3129.8-176.7-14.4000108.4
369N40.6Very low45.1Very low146 Ų146152.5 Ų152.578%0.78181%0.806SS**  trans-105.2100.8179.717617.5000109
370K47Very low45.9Very low190 Ų190149.1 Ų149.183%0.82679%0.793SS**SBendtrans-173.22.6159.7-111.4163.8-173.5-175.50119.4
371Q50.5Low46.4Very low172 Ų172147.1 Ų147.180%0.80479%0.787SS**  trans-130.21.4-171.9-82.9-178.3-31.700117.9I373Q371-I373 PolarHBondContact O-N 3.32Å
372S43.3Very low46.9Very low118 Ų118149.5 Ų149.583%0.82579%0.786SS**THydrogen-bonded Turntrans-90.930.1-170.965.90000116.5
373I46.1Very low47.5Very low169 Ų169143.9 Ų143.987%0.86777%0.771SS**THydrogen-bonded Turntrans-117-8.6175.7-69.2177.5000112.3Q371 L375Q371-I373 PolarHBondContact O-N 3.32Å; I373-L375 PolarHBondContact O-N 3.02Å
374A48.6Very low47.9Very low89 Ų89140.4 Ų140.474%0.73676%0.763SS**SBendtrans-90.78.1-168.800000116.5
375L50.8Low48.4Very low164 Ų164143.3 Ų143.386%0.85977%0.767SS**  trans-122.45.4-164-95.1157.8000117.4I373 G377I373-L375 PolarHBondContact O-N 3.02Å; L375-G377 PolarHBondContact O-N 3.39Å
376M48.2Very low48.9Very low185 Ų185140.2 Ų140.291%0.91176%0.76SS**  trans-89.265158.8-73.3-172.6-173.300110.3I378 G379M376-I378 PolarHBondContact O-N 2.99Å; M376-G379 PolarHBondContact O-N 3.07Å
377G41Very low49.1Very low70 Ų70136 Ų13672%0.72275%0.754SS**THydrogen-bonded Turntrans-72.447.3-175.800000115.5L375L375-G377 PolarHBondContact O-N 3.39Å
378I52Low49.3Very low155 Ų155134 Ų13480%0.79575%0.754SS**THydrogen-bonded Turntrans-122.9-21.3164.3-67.2-178.3000111.1M376 G380M376-I378 PolarHBondContact O-N 2.99Å; I378-G380 VanDerWaalsContact C-N 3.3Å; I378-G380 PolarHBondContact O-N 2.9Å
379G47.2Very low49.4Very low53 Ų53131.8 Ų131.855%0.54675%0.751SS.*G310 helixtrans-70.2-20.3173.400000115M376 V381 S383M376-G379 PolarHBondContact O-N 3.07Å; G379-V381 VanDerWaalsContact C-N 3.32Å; G379-V381 PolarHBondContact O-N 3.1Å; G379-S383 PolarHBondContact O-OG 3.26Å
380G52Low49.6Very low49 Ų49134 Ų13451%0.50576%0.757SS.*G310 helixtrans-73.7-12.8-172.600000116.2I378I378-G380 VanDerWaalsContact C-N 3.3Å; I378-G380 PolarHBondContact O-N 2.9Å
381V54.9Low49.4Very low111 Ų111133.8 Ų133.867%0.67376%0.758SS**G310 helixtrans-83.4-22.5-174.9-172.20000112.3G379G379-V381 VanDerWaalsContact C-N 3.32Å; G379-V381 PolarHBondContact O-N 3.1Å
382L51.9Low49.5Very low140 Ų140130.5 Ų130.573%0.73375%0.752SS**THydrogen-bonded Turntrans-97.4-17-179-65.3175.8000114N384L382-N384 VanDerWaalsContact C-N 3.33Å; L382-N384 PolarHBondContact O-N 3.1Å
383S56.1Low50.1Low77 Ų77130.8 Ų130.854%0.53875%0.749SS.*G310 helixtrans-68.3-30.5179.4-50.80000113.3G379G379-S383 PolarHBondContact O-OG 3.26Å
384N55Low50Low136 Ų136130 Ų13073%0.72775%0.747SS**G310 helixtrans-90.41.7-174.7-69.11.7000114.1L382L382-N384 VanDerWaalsContact C-N 3.33Å; L382-N384 PolarHBondContact O-N 3.1Å
385M53.3Low50Low168 Ų168129.8 Ų129.883%0.82874%0.74SS**G310 helixtrans-109.113.2176-61.4-168.980.600113.1
386K51.1Low49.9Very low184 Ų184131.8 Ų131.880%0.874%0.742SS**SBendtrans-130.413.4-177.2-160.9150.8-177170.90114.9
387S52.8Low50.2Low97 Ų97127.5 Ų127.568%0.67873%0.729SS**SBendtrans-133.250.5177.763.30000111.5
388E49.5Very low50.5Low192 Ų192131 Ų13190%0.89773%0.732SS**  trans-149.651.5171.9-157168.3-144.900109.8
389S45.3Very low50.3Low103 Ų103131.2 Ų131.272%0.7273%0.734SS**  trans-153.377.7178.667.10000112.9
390E45.7Very low50.4Low192 Ų192133.7 Ų133.790%0.89774%0.74SS**  trans174.4115.4163.8-102.1167.1-146.500103.5
391Q42.9Very low50.2Low185 Ų185137.6 Ų137.686%0.86475%0.754SS**  cis-151.3177.142.6-104-164.5-20.600112
392P52.2Low49.9Very low103 Ų103139 Ų13967%0.66975%0.753SS**  trans-105.8168.6-149.640.7-37.7000115.7
393T55.5Low49.7Very low124 Ų124140.6 Ų140.676%0.76175%0.754SS**  -178.7141.8117250000111.9
394N45Very low49.2Very low154 Ų154141.2 Ų141.282%0.82476%0.764SS**  trans46.9141.2152.5-72.5-28.9000121.4
395S46.9Very low48.9Very low84 Ų84144.1 Ų144.159%0.58777%0.77SS**  cis-179.7138.8-10.747.30000109.4
396K50Low48.6Very low206 Ų206145.1 Ų145.190%0.89677%0.77SS**  trans63147.1160.2-63.4170.2179.3175.60116.4
397S54.1Low48.4Very low94 Ų94144.9 Ų144.966%0.65777%0.769SS**  cis-172.3151.5-6.444.20000111.1
398N46.7Very low48.1Very low145 Ų145145.6 Ų145.678%0.77577%0.769SS**  trans67.3100.1151.5-55.6-14.1000121.7
399L48.8Very low47.7Very low158 Ų158142.8 Ų142.883%0.82777%0.765SS**  23.3160.2101.9-64.9169.9000120.1
400P47.9Very low47.8Very low105 Ų105142.9 Ų142.968%0.68277%0.766SS**  cis-147.5-164.3-42.242.4-23.3000114.7
401V49.2Very low47.6Very low131 Ų131142.6 Ų142.679%0.79477%0.765SS**  trans96.3134.1143.7157.60000122.6
402E47.4Very low47.9Very low142 Ų142141.3 Ų141.366%0.66476%0.759SS**  trans87105.3155.6-91.7-168.8169.500126.7
403K48.7Very low47.6Very low173 Ų173146.8 Ų146.875%0.75277%0.766SS**  52124119-72.3177.7-158.4156.40123.2
404A46.2Very low47.6Very low90 Ų90145.9 Ų145.974%0.74477%0.765SS**  102.2123.5121.300000122.8
405K48.1Very low47.8Very low197 Ų197143.9 Ų143.986%0.85776%0.763SS**  trans73.7138.8140.8-80.3178.1175.1171.70121.9
406K47.6Very low47.6Very low189 Ų189144.8 Ų144.882%0.82278%0.775SS**  trans90.7106.9146-89.8-177.7173.6176.50121.3
407K46.9Very low47.8Very low178 Ų178144.8 Ų144.877%0.77478%0.775SS**  82.5151.5116.1-136.4-170.8178.9-172.30120.1
408T45.2Very low47.5Very low113 Ų113151.7 Ų151.769%0.69379%0.787SS**  trans67.5120.4166.246.50000117.2
409T40.9Very low48Very low133 Ų133157 Ų15782%0.81680%0.796SS**  92.3106.850.6-60.70000112.3
410S48.4Very low47.8Very low105 Ų105158.3 Ų158.373%0.73480%0.795SS**  trans168.5117139.461.60000112.5
411E42.1Very low48.1Very low185 Ų185165.3 Ų165.386%0.86481%0.808SS**  trans23.7136.2130.5-55-17511800122.3
412Q47.8Very low48.1Very low159 Ų159166.4 Ų166.474%0.74380%0.802SS**  -176.3130.9116.3-102.1-17425.300114.1
413R47Very low48Very low218 Ų218167.6 Ų167.682%0.82381%0.808SS**  trans55.5149.1138.3-65.5172153.5168.8-9.1119.6
414S54.7Low48.1Very low105 Ų105164.2 Ų164.273%0.73481%0.805SS**  cis-164.9135.42954.20000116.7
415S49.6Very low48Very low111 Ų111164.8 Ų164.878%0.77680%0.804SS**  trans42.3105.713764.90000126.1
416A41.7Very low47.7Very low103 Ų103160.3 Ų160.385%0.85180%0.798SS**  24.5135.3117.600000125.6
417K54.7Low47.6Very low206 Ų206159.7 Ų159.790%0.89680%0.798SS**  trans-166.596.6148.9-147.9166.8-172.3169.90111.1
418R47.5Very low47.5Very low240 Ų240156.6 Ų156.691%0.90680%0.799SS**  62.5102.778.8-170.6-179.6167.3-172.5-5116.8
419R57Low47.2Very low255 Ų255154.4 Ų154.496%0.96280%0.798SS**  trans-157.6154.3141.4-122.9173.1174.9164.3-2112.5
420K45.5Very low47.2Very low186 Ų186157.6 Ų157.681%0.80980%0.804SS**  trans-150137.7-162175.9-180-175.5173.50109
421R54.6Low46.7Very low253 Ų253156.5 Ų156.596%0.95580%0.801SS**  trans-149.5157.2163.8-141.2171-177.9170.5-1110.4
422K47.8Very low46.7Very low153 Ų153151.8 Ų151.867%0.66579%0.789SS**  trans-142.3163-161.2-107.6-162.4172.6-161.60110.5
423Q47Very low46.4Very low168 Ų168146.7 Ų146.779%0.78577%0.771SS**  trans69.6150158.6-69.4153.2-61.300115.4
424S49.9Very low45.9Very low101 Ų101141.3 Ų141.371%0.70676%0.762SS**  cis-162.51328.622.10000107.9
425S43.3Very low45.1Very low103 Ų103139.7 Ų139.772%0.7275%0.75SS**  64.6142.290.478.10000118.3
426S42.8Very low44.5Very low102 Ų102139.8 Ų139.871%0.71375%0.751SS**  trans68.7145.116227.10000118
427E45.3Very low44.3Very low176 Ų176139.4 Ų139.482%0.82275%0.748SS**  cis-167.9153.6-6.8-153159.1100.400112.6
428S44.2Very low43.4Very low114 Ų114134.8 Ų134.880%0.79774%0.742SS**  trans49.5144.314962.70000126.5
429G39.6Very low43Very low66 Ų66128.9 Ų128.968%0.6874%0.737SS**  trans120.697.1155.400000114.6
430E40.9Very low42.2Very low201 Ų201121.3 Ų121.394%0.93972%0.724SS**  62.8130.667.2-58.8-170.3154.600114.4
431A38.6Very low42Very low82 Ų82116.2 Ų116.268%0.67872%0.716SS**  cis-164.6164.1-8.700000111.6
432S41.9Very low41.4Very low86 Ų86111.4 Ų111.460%0.60171%0.71SS**  trans53.8157.7142.1-69.30000123.1R547 G548S432-R547 CarbonylContact C-O 3.59Å; S432-R547 CarbonylContact O-C 3.52Å; S432-R547 VanDerWaalsContact O-O 3.12Å; S432-G548 PolarHBondContact O-N 3.42Å
433S40.2Very low41.7Very low52 Ų52112.3 Ų112.336%0.36472%0.716SS.*  cis-171.6141.5-16.4-95.20000110.8
434T36.8Very low41.7Very low105 Ų105110.9 Ų110.964%0.64471%0.714SS**  trans55.4162.5141.370.40000120.4Y546T434-Y546 PolarHBondContact O-OH 3.33Å
435S37.5Very low41.7Very low70 Ų70114.2 Ų114.249%0.4972%0.718SS.*  cis-162.3149.615.259.70000114.3Y546S435-Y546 WeakPolarHBondContact OG-CE2 3.45Å; S435-Y546 PolarHBondContact OG-OH 2.96Å; S435-Y546 VanDerWaalsContact OG-OH 3.08Å
436S38Very low41.5Very low113 Ų113118.1 Ų118.179%0.7973%0.725SS**  trans73.9136.1135-59.60000126
437A36.6Very low41.6Very low96 Ų96123.7 Ų123.779%0.79373%0.731SS**  trans73.3143.9141.500000119.6
438S36.6Very low41.8Very low109 Ų109121.9 Ų121.976%0.76272%0.722SS**  cis-176.6169.6-945.30000110
439S38.7Very low41.7Very low115 Ų115124.8 Ų124.880%0.80472%0.723SS**  trans75.3146.8166.7-137.40000115.5
440S40.7Very low41.8Very low97 Ų97125.3 Ų125.368%0.67873%0.728SS**  cis179.3161.8-15.643.30000109
441A41.2Very low41.7Very low79 Ų79123.2 Ų123.265%0.65372%0.718SS**  trans69.4125.7163.400000116.4
442D43Very low42.1Very low152 Ų152127.2 Ų127.281%0.81372%0.717SS**  70.5128.367.7-54.7-37.7000110.3
443E52.7Low42.1Very low172 Ų172131.8 Ų131.880%0.80472%0.721SS**  cis-147.6160.914.6-63.1-178.4154.300113.1
444D46.7Very low42.5Very low138 Ų138137.5 Ų137.574%0.73874%0.74SS**  trans44.2154.2133.8-69.9-45.2000128.9
445E50.7Low42.7Very low171 Ų171137.7 Ų137.780%0.79975%0.745SS**  trans55.4111.3154.6-71.2179.2-177.500119.7
446E39.3Very low43.3Very low185 Ų185143.5 Ų143.586%0.86476%0.762SS**  65.299.570.8-65.7-142.1163.700115.3
447R45.4Very low43.5Very low219 Ų219144.3 Ų144.383%0.82676%0.762SS**  trans-158.8123.9138.7-101.5-159.2152116.54.1108.8
448E49Very low43.9Very low138 Ų138150.2 Ų150.265%0.64576%0.763SS**  97.5111.255.5-168.4179.4-143.400111.3
449E41.7Very low44.7Very low175 Ų175153.8 Ų153.882%0.81876%0.76SS**  trans46.6139.6154.5-58.7-160.8148.700124.5
450G40.9Very low44.9Very low77 Ų77155.6 Ų155.679%0.79476%0.756SS**  trans-159.763170.600000111.5
451E40.5Very low45.3Very low156 Ų156162.6 Ų162.673%0.72977%0.767SS**  trans-59140.6163.4-72.7-158.5125.600110.4
452Y46.2Very low45.5Very low166 Ų166163.6 Ų163.665%0.65178%0.776SS**  173111.6115-109.3-110.6000113.6
453R42.7Very low45.6Very low182 Ų182162.2 Ų162.269%0.68778%0.778SS**  trans54.5143.8131.2-63.6-166.2-178.1-166.1-5.9123.4
454K47.8Very low45.4Very low173 Ų173158.6 Ų158.675%0.75277%0.772SS**  trans87.299.3141.8-80165.7176.6178.10120.6
455S41.1Very low45.6Very low108 Ų108158.7 Ų158.776%0.75578%0.777SS**  90.3147.2109.4-64.70000122.4
456K50.9Low45.4Very low193 Ų193154.4 Ų154.484%0.83978%0.778SS**  trans84.784.1155.4-77.4175.7176.51740120.4
457T40.8Very low45.6Very low129 Ų129150.8 Ų150.879%0.79177%0.774SS**  7.8118.9117.555.50000119.3
458R45.9Very low45.6Very low220 Ų220150.2 Ų150.283%0.8378%0.777SS**  trans173.3148.4138.3-100.8-177.8172.5-172.1-0.9107.1
459R51.9Low45.4Very low185 Ų185148.9 Ų148.970%0.69878%0.783SS**  cis177.5135.1-12.7-119.3-172.2176.7178.8-1.4105
460H43.6Very low46Very low153 Ų153150 Ų15071%0.70879%0.785SS**  trans43.4123.8154.9-46.1-66000122.1
461R48.4Very low46.1Very low244 Ų244154 Ų15492%0.92179%0.788SS**  -178.4119.2103-92.9162.1176.7175.5-1.6107.5
462A46.5Very low46.1Very low100 Ų100153 Ų15383%0.82679%0.793SS**  77.587.15700000113.8
463S45.2Very low46.3Very low123 Ų123151.4 Ų151.486%0.8680%0.801SS**  trans-178.8140.5161.6-179.50000107.1
464S49Very low46.3Very low96 Ų96148.3 Ų148.367%0.67181%0.807SS**  cis179.5121-15164.50000106.5
465V50.4Low46Very low140 Ų140147.3 Ų147.385%0.84881%0.81SS**  trans39.5118150.4-162.70000119.9
466G45.5Very low46.2Very low80 Ų80153.4 Ų153.483%0.82582%0.816SS**  trans-176.386.7168.200000115.1
467S44.4Very low45.9Very low110 Ų110155.5 Ų155.577%0.76982%0.819SS**  trans-68.7138.4-174.6-450000115.2
468K45.7Very low46.4Very low206 Ų206154.4 Ų154.490%0.89682%0.816SS**  177.4137.8115.1-98.7165.1179.6171.70113.7
469S45Very low47.1Very low110 Ų110153.6 Ų153.677%0.76982%0.819SS**  trans-75.1138.8175.852.10000113.4
470K53.1Low47.6Very low199 Ų199153 Ų15387%0.86582%0.824SS**  trans-143.3134.9147.9-76.9-164.1176.41790110.8
471N43.1Very low49.1Very low160 Ų160151.3 Ų151.386%0.85682%0.819SS**  trans-64.6138.2174.3-65.6-19.4000110.7
472T41.9Very low50.6Low135 Ų135144 Ų14483%0.82880%0.798SS**  trans-120.6101.816348.20000109.1
473T49Very low52.5Low133 Ų133143.3 Ų143.382%0.81679%0.785SS**  trans-57135.8170.737.10000111.1N475T473-N475 PolarHBondContact O-N 2.89Å; T473-N475 VanDerWaalsContact O-N 3.11Å
474S42.7Very low54.3Low117 Ų117144.8 Ų144.882%0.81878%0.779SS**  trans-66.3106.9177.555.50000111
475N42.8Very low56Low153 Ų153147.7 Ų147.782%0.81878%0.775SS**  trans-90.1107.7174.1-150.36.8000109.2T473 R477T473-N475 PolarHBondContact O-N 2.89Å; T473-N475 VanDerWaalsContact O-N 3.11Å; N475-R477 PolarHBondContact O-N 3.09Å; N475-R477 VanDerWaalsContact O-N 3.08Å
476R45.4Very low57.5Low235 Ų235143.8 Ų143.889%0.88775%0.752SS**  trans-65.1107.1173.8-80.1-178.4171.7-178.9-3.6108.3S478R476-S478 PolarHBondContact O-N 2.87Å
477R43.7Very low59.4Low237 Ų237145.3 Ų145.389%0.89474%0.737SS**  trans-70.996.7167.5-78.4-177.2172179.1-3.8109.2N475 K479N475-R477 PolarHBondContact O-N 3.09Å; N475-R477 VanDerWaalsContact O-N 3.08Å; R477-K479 PolarHBondContact O-N 2.86Å
478S50.4Low61.4Low106 Ų106142.7 Ų142.774%0.74172%0.719SS**  trans-55.3129.4149.547.30000107.8R476 Q480R476-S478 PolarHBondContact O-N 2.87Å; S478-Q480 VanDerWaalsContact C-N 3.34Å; S478-Q480 PolarHBondContact O-N 3.43Å
479K62.1Low63Low204 Ų204136 Ų13689%0.88769%0.692SS**  trans-69.297171.2-70.4-178.4179.6179.60107.4R477 I481R477-K479 PolarHBondContact O-N 2.86Å; K479-I481 PolarHBondContact O-N 3.36Å
480Q62.5Low64.9Low173 Ų173135.2 Ų135.281%0.80868%0.679SS**  trans-62.3114.5167.1-177172.5-3.300106.7S478S478-Q480 VanDerWaalsContact C-N 3.34Å; S478-Q480 PolarHBondContact O-N 3.43Å
481I74Confident66.4Low116 Ų116131.6 Ų131.660%0.59567%0.665SS**  trans-61.7137.2172.8-61.7173000107K479 P483 W485 T486K479-I481 PolarHBondContact O-N 3.36Å; I481-P483 WeakPolarHBondContact O-CD 3.36Å; I481-W485 HydrophobicContact CG2-CE3 3.89Å; I481-W485 HydrophobicContact CG2-CZ3 4.11Å; I481-T486 WeakPolarHBondContact CG2-OG1 3.32Å
482D80.5Confident68.3Low90 Ų90130.8 Ų130.848%0.48166%0.656SS.*  trans-67.2119.7-177.7-167.3-30.5000109.6E484 W485 T486D482-E484 PolarHBondContact O-N 3.41Å; D482-E484 PolarHBondContact OD1-N 3.16Å; D482-W485 HydrophobicContact CB-CB 3.95Å; D482-W485 PolarHBondContact O-N 3.17Å; D482-T486 PolarHBondContact O-N 3.11Å; D482-T486 PolarHBondContact O-OG1 3.2Å
483P85.4Confident70.1Confident86 Ų86127.7 Ų127.756%0.55864%0.637SS**Hα-helixtrans-60-32.2178.925.3-34.3000112.3I481 T486 Q487I481-P483 WeakPolarHBondContact O-CD 3.36Å; P483-T486 PolarHBondContact O-N 2.87Å; P483-Q487 WeakPolarHBondContact O-CB 3.42Å; P483-Q487 PolarHBondContact O-N 3.49Å
484E84.5Confident71.8Confident154 Ų154124.9 Ų124.972%0.7262%0.616SS**Hα-helixtrans-70.6-38.9178.9-63.8-171.1172.300111.5D482 Q487 S488D482-E484 PolarHBondContact O-N 3.41Å; D482-E484 PolarHBondContact OD1-N 3.16Å; E484-Q487 PolarHBondContact O-N 3.42Å; E484-S488 WeakPolarHBondContact O-CB 3.41Å; E484-S488 PolarHBondContact O-N 3.39Å
485W85Confident74Confident158 Ų158123.1 Ų123.160%0.59860%0.602SS**Hα-helixtrans-64.8-43.1173.8-179.180.8000111.9I481 D482 Q487 S488 I489I481-W485 HydrophobicContact CG2-CE3 3.89Å; I481-W485 HydrophobicContact CG2-CZ3 4.11Å; D482-W485 HydrophobicContact CB-CB 3.95Å; D482-W485 PolarHBondContact O-N 3.17Å; W485-Q487 VanDerWaalsContact C-N 3.32Å; W485-Q487 PolarHBondContact O-N 2.94Å; W485-S488 PolarHBondContact O-N 2.89Å; W485-I489 HydrophobicContact CD2-CD1 3.95Å; W485-I489 VanDerWaalsContact CE2-CD1 3.47Å; W485-I489 HydrophobicContact CE3-CD1 4.13Å; W485-I489 HydrophobicContact CH2-CD1 3.52Å; W485-I489 HydrophobicContact CZ2-CD1 3.28Å; W485-I489 HydrophobicContact CZ3-CD1 3.93Å; W485-I489 PolarHBondContact O-N 3.05Å
486T81.5Confident75.6Confident58 Ų58121 Ų12136%0.35659%0.587SS.*Hα-helixtrans-63.5-40.2178.1-36.70000111.1I481 D482 P483 L490I481-T486 WeakPolarHBondContact CG2-OG1 3.32Å; D482-T486 PolarHBondContact O-N 3.11Å; D482-T486 PolarHBondContact O-OG1 3.2Å; P483-T486 PolarHBondContact O-N 2.87Å; T486-L490 WeakPolarHBondContact O-CG 3.34Å; T486-L490 PolarHBondContact O-N 3.15Å; T486-L490 VanDerWaalsContact O-N 3.11Å
487Q85.5Confident77.4Confident112 Ų112115.6 Ų115.652%0.52357%0.573SS.*Hα-helixtrans-67.9-42.2175.9-174.7171.1-1600112P483 E484 W485 I489 L490 E491P483-Q487 WeakPolarHBondContact O-CB 3.42Å; P483-Q487 PolarHBondContact O-N 3.49Å; E484-Q487 PolarHBondContact O-N 3.42Å; W485-Q487 VanDerWaalsContact C-N 3.32Å; W485-Q487 PolarHBondContact O-N 2.94Å; Q487-I489 VanDerWaalsContact C-N 3.32Å; Q487-I489 PolarHBondContact O-N 3.45Å; Q487-L490 PolarHBondContact O-N 3.23Å; Q487-E491 HydrophobicContact CG-CG 4.42Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.46Å; Q487-E491 PolarHBondContact NE2-OE1 3.44Å; Q487-E491 WeakPolarHBondContact O-CG 3.47Å; Q487-E491 PolarHBondContact O-N 2.91Å
488S85.2Confident79.5Confident54 Ų54110.9 Ų110.938%0.37856%0.559SS.*Hα-helixtrans-59.6-39.2175.6-176.50000112.7E484 W485 Q492E484-S488 WeakPolarHBondContact O-CB 3.41Å; E484-S488 PolarHBondContact O-N 3.39Å; W485-S488 PolarHBondContact O-N 2.89Å; S488-Q492 WeakPolarHBondContact O-CG 3.29Å; S488-Q492 PolarHBondContact O-N 2.96Å; S488-Q492 VanDerWaalsContact O-N 3.16Å
489I79Confident81.2Confident67 Ų67115 Ų11534%0.34456%0.559SS.*Hα-helixtrans-67.5-44.3173.8-71.8-178.7000111.4W485 Q487 E491 Q492 V493W485-I489 HydrophobicContact CD2-CD1 3.95Å; W485-I489 VanDerWaalsContact CE2-CD1 3.47Å; W485-I489 HydrophobicContact CE3-CD1 4.13Å; W485-I489 HydrophobicContact CH2-CD1 3.52Å; W485-I489 HydrophobicContact CZ2-CD1 3.28Å; W485-I489 HydrophobicContact CZ3-CD1 3.93Å; W485-I489 PolarHBondContact O-N 3.05Å; Q487-I489 VanDerWaalsContact C-N 3.32Å; Q487-I489 PolarHBondContact O-N 3.45Å; I489-E491 VanDerWaalsContact C-N 3.33Å; I489-E491 PolarHBondContact O-N 3.08Å; I489-Q492 PolarHBondContact O-N 3.31Å; I489-V493 HydrophobicContact CG2-CG2 3.99Å; I489-V493 WeakPolarHBondContact O-CB 3.37Å; I489-V493 VanDerWaalsContact O-CG2 3.31Å; I489-V493 WeakPolarHBondContact O-CG2 3.25Å; I489-V493 PolarHBondContact O-N 3.08Å
490L84.8Confident82.1Confident93 Ų93109.8 Ų109.849%0.48754%0.538SS..Hα-helixtrans-60.2-42.9176.6-78161.8000111.7T486 Q487 Q492 V493 I494T486-L490 WeakPolarHBondContact O-CG 3.34Å; T486-L490 PolarHBondContact O-N 3.15Å; T486-L490 VanDerWaalsContact O-N 3.11Å; Q487-L490 PolarHBondContact O-N 3.23Å; L490-Q492 VanDerWaalsContact C-N 3.28Å; L490-Q492 PolarHBondContact O-N 2.97Å; L490-V493 PolarHBondContact O-N 3.28Å; L490-I494 HydrophobicContact CB-CD1 4.12Å; L490-I494 HydrophobicContact CD2-CD1 4.15Å; L490-I494 VanDerWaalsContact O-CB 3.23Å; L490-I494 WeakPolarHBondContact O-CB 3.36Å; L490-I494 WeakPolarHBondContact O-CD1 3.36Å; L490-I494 WeakPolarHBondContact O-CG1 3.48Å; L490-I494 PolarHBondContact O-N 3.17Å
491E84.8Confident83.1Confident123 Ų123106 Ų10658%0.57552%0.522SS*.Hα-helixtrans-65.4-27.6177.8-73.4177.3-168.100113.2Q487 I489 P495Q487-E491 HydrophobicContact CG-CG 4.42Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.46Å; Q487-E491 PolarHBondContact NE2-OE1 3.44Å; Q487-E491 WeakPolarHBondContact O-CG 3.47Å; Q487-E491 PolarHBondContact O-N 2.91Å; I489-E491 VanDerWaalsContact C-N 3.33Å; I489-E491 PolarHBondContact O-N 3.08Å; E491-P495 WeakPolarHBondContact O-CD 3.34Å; E491-P495 WeakPolarHBondContact O-CG 3.11Å
492Q82.9Confident83.8Confident142 Ų142104.2 Ų104.266%0.66452%0.518SS*.Hα-helixtrans-83.8-40173.6-69.8179.12100113.5S488 I489 L490S488-Q492 WeakPolarHBondContact O-CG 3.29Å; S488-Q492 PolarHBondContact O-N 2.96Å; S488-Q492 VanDerWaalsContact O-N 3.16Å; I489-Q492 PolarHBondContact O-N 3.31Å; L490-Q492 VanDerWaalsContact C-N 3.28Å; L490-Q492 PolarHBondContact O-N 2.97Å
493V81.5Confident83.9Confident70 Ų70106.6 Ų106.642%0.42452%0.524SS..Hα-helixtrans-79-38.8-174.6173.90000112.2I489 L490 H496 M497I489-V493 HydrophobicContact CG2-CG2 3.99Å; I489-V493 WeakPolarHBondContact O-CB 3.37Å; I489-V493 VanDerWaalsContact O-CG2 3.31Å; I489-V493 WeakPolarHBondContact O-CG2 3.25Å; I489-V493 PolarHBondContact O-N 3.08Å; L490-V493 PolarHBondContact O-N 3.28Å; V493-H496 PolarHBondContact O-N 3.23Å; V493-H496 VanDerWaalsContact O-N 3.09Å; V493-M497 HydrophobicContact CG1-CG 4.2Å; V493-M497 HydrophobicContact CG1-SD 4.23Å; V493-M497 PolarHBondContact O-N 3.38Å
494I84.3Confident83.6Confident75 Ų75107.3 Ų107.339%0.38552%0.523SS..Hα-helixtrans-57.7-48.4-176.4-72.7168.8000112.4L490 H496 M497 F498L490-I494 HydrophobicContact CB-CD1 4.12Å; L490-I494 HydrophobicContact CD2-CD1 4.15Å; L490-I494 VanDerWaalsContact O-CB 3.23Å; L490-I494 WeakPolarHBondContact O-CB 3.36Å; L490-I494 WeakPolarHBondContact O-CD1 3.36Å; L490-I494 WeakPolarHBondContact O-CG1 3.48Å; L490-I494 PolarHBondContact O-N 3.17Å; I494-H496 VanDerWaalsContact C-N 3.28Å; I494-H496 PolarHBondContact O-N 3.1Å; I494-M497 PolarHBondContact O-N 2.95Å; I494-F498 HydrophobicContact CG2-CD2 3.63Å; I494-F498 HydrophobicContact CG2-CE2 3.62Å; I494-F498 WeakPolarHBondContact O-CD2 3.43Å; I494-F498 PolarHBondContact O-N 3.18Å
495P88.2Confident83.5Confident79 Ų79103.8 Ų103.851%0.51351%0.508SS..Hα-helixtrans-59.7-36.6175.5-24.635000113.2E491 R499E491-P495 WeakPolarHBondContact O-CD 3.34Å; E491-P495 WeakPolarHBondContact O-CG 3.11Å; P495-R499 WeakPolarHBondContact O-CB 3.41Å; P495-R499 PolarHBondContact O-N 3.19Å
496H77.3Confident83.4Confident110 Ų110102 Ų10251%0.50951%0.506SS..Hα-helixtrans-71.7-37.3178.7-158.5-42.6000111.9V493 I494 R499 M500V493-H496 PolarHBondContact O-N 3.23Å; V493-H496 VanDerWaalsContact O-N 3.09Å; I494-H496 VanDerWaalsContact C-N 3.28Å; I494-H496 PolarHBondContact O-N 3.1Å; H496-R499 PolarHBondContact O-N 2.8Å; H496-M500 VanDerWaalsContact O-CG 3.31Å; H496-M500 WeakPolarHBondContact O-CG 3.4Å; H496-M500 PolarHBondContact O-N 2.99Å; H496-M500 VanDerWaalsContact O-N 3.1Å
497M81.7Confident83.3Confident120 Ų120106.9 Ų106.959%0.59152%0.518SS*.Hα-helixtrans-62.3-47.8171.3-83.8-174.661.700111.8V493 I494 R499 M500 M501V493-M497 HydrophobicContact CG1-CG 4.2Å; V493-M497 HydrophobicContact CG1-SD 4.23Å; V493-M497 PolarHBondContact O-N 3.38Å; I494-M497 PolarHBondContact O-N 2.95Å; M497-R499 VanDerWaalsContact C-N 3.26Å; M497-R499 PolarHBondContact O-N 3.41Å; M497-M500 PolarHBondContact O-N 3.14Å; M497-M501 PolarHBondContact O-N 3.33Å
498F88.4Confident82.9Confident138 Ų138105.2 Ų105.261%0.60551%0.511SS*.Hα-helixtrans-62.1-32.6177.2-84.6-68.3000112.8I494 M501 P502I494-F498 HydrophobicContact CG2-CD2 3.63Å; I494-F498 HydrophobicContact CG2-CE2 3.62Å; I494-F498 WeakPolarHBondContact O-CD2 3.43Å; I494-F498 PolarHBondContact O-N 3.18Å; F498-M501 HydrophobicContact CD1-CE 4.24Å; F498-M501 HydrophobicContact CE1-CE 4.19Å; F498-P502 VanDerWaalsContact O-CD 3.27Å; F498-P502 WeakPolarHBondContact O-CD 3.44Å
499R85.5Confident82.8Confident193 Ų193107.2 Ų107.273%0.72852%0.518SS*.Hα-helixtrans-70.6-28.8173.5-174.1174.3122.5124.1-3.1113.5P495 H496 M497P495-R499 WeakPolarHBondContact O-CB 3.41Å; P495-R499 PolarHBondContact O-N 3.19Å; H496-R499 PolarHBondContact O-N 2.8Å; M497-R499 VanDerWaalsContact C-N 3.26Å; M497-R499 PolarHBondContact O-N 3.41Å
500M80.9Confident83Confident94 Ų94109.5 Ų109.546%0.46353%0.53SS..Hα-helixtrans-91-30-178.9-70-65.3-69.700113.6H496 M497 K503 L504H496-M500 VanDerWaalsContact O-CG 3.31Å; H496-M500 WeakPolarHBondContact O-CG 3.4Å; H496-M500 PolarHBondContact O-N 2.99Å; H496-M500 VanDerWaalsContact O-N 3.1Å; M497-M500 PolarHBondContact O-N 3.14Å; M500-K503 PolarHBondContact O-N 2.88Å; M500-K503 VanDerWaalsContact O-N 3.1Å; M500-L504 PolarHBondContact O-N 3.32Å; M500-L504 VanDerWaalsContact O-N 3.1Å
501M84.1Confident82.5Confident94 Ų94109.3 Ų109.346%0.46353%0.529SS..Hα-helixtrans-50.7-46.7-177.1-106.8-132.5-6400114.6M497 F498 K503 L504 I505M497-M501 PolarHBondContact O-N 3.33Å; F498-M501 HydrophobicContact CD1-CE 4.24Å; F498-M501 HydrophobicContact CE1-CE 4.19Å; M501-K503 VanDerWaalsContact C-N 3.32Å; M501-K503 PolarHBondContact O-N 2.79Å; M501-L504 PolarHBondContact O-N 3.22Å; M501-L504 VanDerWaalsContact O-N 3.15Å; M501-I505 WeakPolarHBondContact O-CG1 3.48Å; M501-I505 PolarHBondContact O-N 3.12Å
502P88.5Confident81.8Confident78 Ų78109.8 Ų109.851%0.50654%0.535SS..Hα-helixtrans-59.2-40.8179-26.135.6000113F498 L504 I505 E506F498-P502 VanDerWaalsContact O-CD 3.27Å; F498-P502 WeakPolarHBondContact O-CD 3.44Å; P502-L504 VanDerWaalsContact C-N 3.35Å; P502-I505 PolarHBondContact O-N 2.96Å; P502-E506 WeakPolarHBondContact O-CB 3.26Å; P502-E506 PolarHBondContact O-N 3.01Å
503K82.9Confident80.4Confident141 Ų141107.1 Ų107.161%0.61353%0.533SS*.Hα-helixtrans-67.4-35.5177-65.5-168.9172.1-163.60112.4M500 M501 W507M500-K503 PolarHBondContact O-N 2.88Å; M500-K503 VanDerWaalsContact O-N 3.1Å; M501-K503 VanDerWaalsContact C-N 3.32Å; M501-K503 PolarHBondContact O-N 2.79Å; K503-W507 VanDerWaalsContact O-CB 3.32Å; K503-W507 WeakPolarHBondContact O-CB 3.38Å; K503-W507 PolarHBondContact O-N 2.88Å
504L78.4Confident78.8Confident101 Ų101109.4 Ų109.453%0.52955%0.551SS.*Hα-helixtrans-68.1-40.8176.3-156101.8000111.1M500 M501 P502 W507 M508M500-L504 PolarHBondContact O-N 3.32Å; M500-L504 VanDerWaalsContact O-N 3.1Å; M501-L504 PolarHBondContact O-N 3.22Å; M501-L504 VanDerWaalsContact O-N 3.15Å; P502-L504 VanDerWaalsContact C-N 3.35Å; L504-W507 PolarHBondContact O-N 2.94Å; L504-M508 HydrophobicContact CD2-CE 4.04Å; L504-M508 HydrophobicContact CD2-SD 4.42Å; L504-M508 WeakPolarHBondContact O-CB 3.31Å; L504-M508 VanDerWaalsContact O-CG 3.29Å; L504-M508 WeakPolarHBondContact O-CG 3.28Å; L504-M508 PolarHBondContact O-N 3.31Å
505I84Confident76.9Confident80 Ų80110.9 Ų110.941%0.4157%0.568SS.*Hα-helixtrans-64.6-44.2174.8-66.5164.3000110.8M501 P502 M508 N509M501-I505 WeakPolarHBondContact O-CG1 3.48Å; M501-I505 PolarHBondContact O-N 3.12Å; P502-I505 PolarHBondContact O-N 2.96Å; I505-M508 HydrophobicContact CG1-CE 4.28Å; I505-M508 PolarHBondContact O-N 3.3Å; I505-N509 WeakPolarHBondContact O-CB 3.46Å; I505-N509 VanDerWaalsContact O-CG 3.26Å; I505-N509 PolarHBondContact O-N 3.29Å
506E81.9Confident74.8Confident120 Ų120115 Ų11556%0.56159%0.586SS**Hα-helixtrans-59.4-48.3175.4-174.9174.4-158.900111.6P502 M508 N509 I510P502-E506 WeakPolarHBondContact O-CB 3.26Å; P502-E506 PolarHBondContact O-N 3.01Å; E506-M508 PolarHBondContact O-N 3.04Å; E506-N509 PolarHBondContact O-N 3.29Å; E506-I510 HydrophobicContact CG-CD1 4.08Å; E506-I510 VanDerWaalsContact O-CG1 3.31Å; E506-I510 WeakPolarHBondContact O-CG1 3.5Å; E506-I510 PolarHBondContact O-N 3.48Å
507W79.2Confident73.3Confident160 Ų160114.7 Ų114.761%0.60659%0.588SS**Hα-helixtrans-61.6-42.8176.4-177.883.4000113K503 L504 N509 I510 N511K503-W507 VanDerWaalsContact O-CB 3.32Å; K503-W507 WeakPolarHBondContact O-CB 3.38Å; K503-W507 PolarHBondContact O-N 2.88Å; L504-W507 PolarHBondContact O-N 2.94Å; W507-N509 PolarHBondContact O-N 3.01Å; W507-I510 PolarHBondContact O-N 3.12Å; W507-N511 WeakPolarHBondContact CZ2-ND2 3.48Å; W507-N511 PolarHBondContact NE1-ND2 3.43Å; W507-N511 PolarHBondContact O-N 2.76Å; W507-N511 VanDerWaalsContact O-N 3.08Å
508M77.9Confident71.8Confident77 Ų77114.7 Ų114.738%0.37960%0.597SS.*Hα-helixtrans-65.2-36.7174.8-73-173.9-59.700112.6L504 I505 E506 N512L504-M508 HydrophobicContact CD2-CE 4.04Å; L504-M508 HydrophobicContact CD2-SD 4.42Å; L504-M508 WeakPolarHBondContact O-CB 3.31Å; L504-M508 VanDerWaalsContact O-CG 3.29Å; L504-M508 WeakPolarHBondContact O-CG 3.28Å; L504-M508 PolarHBondContact O-N 3.31Å; I505-M508 HydrophobicContact CG1-CE 4.28Å; I505-M508 PolarHBondContact O-N 3.3Å; E506-M508 PolarHBondContact O-N 3.04Å; M508-N512 WeakPolarHBondContact O-CB 3.2Å; M508-N512 PolarHBondContact O-N 3.18Å; M508-N512 PolarHBondContact O-ND2 3.35Å
509N83Confident70.2Confident97 Ų97116.5 Ų116.552%0.51961%0.607SS.*Hα-helixtrans-70-39.8177.1-75.7-14000111.9I505 E506 W507 S513I505-N509 WeakPolarHBondContact O-CB 3.46Å; I505-N509 VanDerWaalsContact O-CG 3.26Å; I505-N509 PolarHBondContact O-N 3.29Å; E506-N509 PolarHBondContact O-N 3.29Å; W507-N509 PolarHBondContact O-N 3.01Å; N509-S513 WeakPolarHBondContact O-CB 3.44Å; N509-S513 PolarHBondContact O-N 2.88Å; N509-S513 PolarHBondContact O-OG 3.23Å
510I82.4Confident68.3Low115 Ų115115.5 Ų115.559%0.5961%0.608SS**Hα-helixtrans-60.9-46.8174.8-69.3164.2000110.3E506 W507 S513E506-I510 HydrophobicContact CG-CD1 4.08Å; E506-I510 VanDerWaalsContact O-CG1 3.31Å; E506-I510 WeakPolarHBondContact O-CG1 3.5Å; E506-I510 PolarHBondContact O-N 3.48Å; W507-I510 PolarHBondContact O-N 3.12Å; I510-S513 PolarHBondContact O-N 3.2Å
511N74.8Confident66.8Low88 Ų88121.1 Ų121.147%0.47162%0.624SS.*Hα-helixtrans-75.4-25.2-175.8-69.5-11.7000114.4W507W507-N511 WeakPolarHBondContact CZ2-ND2 3.48Å; W507-N511 PolarHBondContact NE1-ND2 3.43Å; W507-N511 PolarHBondContact O-N 2.76Å; W507-N511 VanDerWaalsContact O-N 3.08Å
512N69.6Low65.3Low133 Ų133125.2 Ų125.271%0.71164%0.642SS**Hα-helixtrans-88.5-4.6175.4-74.7-37000114.1M508 S514M508-N512 WeakPolarHBondContact O-CB 3.2Å; M508-N512 PolarHBondContact O-N 3.18Å; M508-N512 PolarHBondContact O-ND2 3.35Å; N512-S514 VanDerWaalsContact C-N 3.33Å; N512-S514 PolarHBondContact O-N 3.08Å
513S54.4Low63.3Low87 Ų87129.4 Ų129.461%0.60866%0.655SS**  trans-93.447.6-177.7-61.60000113.1N509 I510 S515N509-S513 WeakPolarHBondContact O-CB 3.44Å; N509-S513 PolarHBondContact O-N 2.88Å; N509-S513 PolarHBondContact O-OG 3.23Å; I510-S513 PolarHBondContact O-N 3.2Å; S513-S515 PolarHBondContact O-N 3.39Å
514S47.5Very low61.7Low117 Ų117128.6 Ų128.682%0.81866%0.662SS**  trans-78.945.5177.550.10000113.5N512N512-S514 VanDerWaalsContact C-N 3.33Å; N512-S514 PolarHBondContact O-N 3.08Å
515S43.7Very low60.4Low106 Ų106129.4 Ų129.474%0.74167%0.671SS**  trans-163.286.6173.6172.80000111.3S513S513-S515 PolarHBondContact O-N 3.39Å
516L45.5Very low58.6Low167 Ų167132.7 Ų132.787%0.87469%0.689SS**  trans-163.1113.2158.3-108.3156.9000112
517D44.6Very low56.6Low103 Ų103135.6 Ų135.655%0.55171%0.705SS**  trans30.6118.9153.8-139.5-37.4000121.2Q519D517-Q519 PolarHBondContact O-N 2.97Å; D517-Q519 VanDerWaalsContact O-N 3.1Å; D517-Q519 PolarHBondContact OD1-N 2.9Å
518P50.8Low54.8Low120 Ų120134.7 Ų134.778%0.77972%0.717SS**G310 helixtrans-59.3-18.3173.6-24.835.1000115.9F520P518-F520 VanDerWaalsContact C-N 3.31Å; P518-F520 PolarHBondContact O-N 3.47Å
519Q53.9Low53.3Low175 Ų175136.1 Ų136.182%0.81873%0.732SS**G310 helixtrans-75.9-12.1-168-157.4168.4-12.600114.9D517D517-Q519 PolarHBondContact O-N 2.97Å; D517-Q519 VanDerWaalsContact O-N 3.1Å; D517-Q519 PolarHBondContact OD1-N 2.9Å
520F47Very low51.1Low173 Ų173138.8 Ų138.876%0.75975%0.746SS**G310 helixtrans-94.4-1.5-177.3-123.8-87.3000115.5P518P518-F520 VanDerWaalsContact C-N 3.31Å; P518-F520 PolarHBondContact O-N 3.47Å
521R49.5Very low49.1Very low212 Ų212143.1 Ų143.180%0.876%0.761SS**THydrogen-bonded Turntrans-84.8-2.7-173.1-84.4-166.1172.8-147.9-0.5116.5
522Q52.3Low47.5Very low180 Ų180143.9 Ų143.984%0.84177%0.774SS**THydrogen-bonded Turntrans-90.4-12.7-176.4-74.8-171.7-10.300115.5
523E46.7Very low46Very low166 Ų166144.8 Ų144.878%0.77678%0.778SS**SBendtrans-97.1-11.4-174.9-70.7-168.9134.400115.4
524T48.3Very low45.6Very low124 Ų124146.2 Ų146.276%0.76179%0.786SS**SBendtrans-97.39.2-176.356.30000115.2
525V51.2Low45.3Very low118 Ų118143.5 Ų143.572%0.71578%0.776SS**SBendtrans-98.9-4.5-177.4-177.40000112.9
526N46.7Very low45Very low149 Ų149146.9 Ų146.980%0.79778%0.782SS**  trans-115.836.8-170.2-87.1-22.6000115.5
527M40Very low44.9Very low181 Ų181147.4 Ų147.489%0.89278%0.782SS**  trans-132.676.4171.7-72-157.5-178.700114.2
528T41.8Very low44.8Very low140 Ų140147.6 Ų147.686%0.85979%0.789SS**  trans-133.3111155.946.70000110.3
529P45.2Very low44.6Very low107 Ų107149.9 Ų149.970%0.69579%0.794SS**  trans-115.9131.9159.233.3-22.6000111.8
530N38.4Very low43.9Very low153 Ų153147.2 Ų147.282%0.81879%0.792SS**  trans-35135.9166.5-63.4-41.7000114.1
531F39.4Very low43.2Very low206 Ų206147.2 Ų147.290%0.90480%0.796SS**  trans-125.4108.6151-96.5-82000111.3
532S41.7Very low42.7Very low104 Ų104144.9 Ų144.973%0.72780%0.8SS**  trans-73.5149.1174.3-53.60000111.5P534S532-P534 WeakPolarHBondContact O-CD 3.47Å
533N38.4Very low41.9Very low152 Ų152142 Ų14281%0.81379%0.79SS**  trans-64.6137.5174.9-173.31000112.2
534P46.1Very low41.6Very low118 Ų118145.8 Ų145.877%0.76680%0.799SS**  trans-140.6118.6141.734.7-18.1000114.9S532S532-P534 WeakPolarHBondContact O-CD 3.47Å
535G40.4Very low41.2Very low59 Ų59144.1 Ų144.161%0.60880%0.798SS**  56.1116.3118.400000122.1
536M37.6Very low40.6Very low178 Ų178144.7 Ų144.788%0.87779%0.788SS**  trans68.2113.9134.5-62-87.2-85.500120
537M43.5Very low40.3Very low177 Ų177147.5 Ų147.587%0.87279%0.788SS**  178.9137.4112.6-95.2-68-143.800111.7
538P42.6Very low40.4Very low107 Ų107142 Ų14270%0.69578%0.778SS**  trans-105136179.737.1-30.3000113.7
539L45.4Very low40.7Very low169 Ų169140.2 Ų140.289%0.88578%0.777SS**  trans-151.4162.8174.7-77.1-174000109.9
540P40Very low40.9Very low119 Ų119140.9 Ų140.977%0.77378%0.781SS**  -123.7174.6-97.221.72.8000114.6
541M31.9Very low41.2Very low172 Ų172138.2 Ų138.285%0.84778%0.775SS**  trans-61.2154.6173.8-81.2-162.816900113.8
542N40.2Very low41.6Very low163 Ų163134.8 Ų134.887%0.87277%0.771SS**  trans-141.7142.2146.2-130.9-15.6000112.1
543N35.4Very low42.1Very low121 Ų121134.9 Ų134.965%0.64777%0.769SS**  trans-89.8164.3-169-64.7-70.2000113.4
544Y40.4Very low43Very low244 Ų244134.4 Ų134.496%0.95777%0.771SS**  -162.5154.1129.4-91-62.5000110.7
545A38.8Very low42.8Very low90 Ų90132 Ų13274%0.74477%0.768SS**  trans-148.4151.2-15600000117.9
546Y39.1Very low43.2Very low129 Ų129135.3 Ų135.351%0.50678%0.778SS.*  trans72.3150.4137-112.6-88.1000126.4T434 S435T434-Y546 PolarHBondContact O-OH 3.33Å; S435-Y546 WeakPolarHBondContact OG-CE2 3.45Å; S435-Y546 PolarHBondContact OG-OH 2.96Å; S435-Y546 VanDerWaalsContact OG-OH 3.08Å
547R40.7Very low44.1Very low208 Ų208132.3 Ų132.379%0.78577%0.772SS**  trans85140.9164.8-62-174.7-179.5-119.40.8117.5S432S432-R547 CarbonylContact C-O 3.59Å; S432-R547 CarbonylContact O-C 3.52Å; S432-R547 VanDerWaalsContact O-O 3.12Å
548G41.1Very low44.5Very low67 Ų67135.6 Ų135.669%0.69178%0.776SS**  cis158.8154-4.500000115S432S432-G548 PolarHBondContact O-N 3.42Å
549A48.3Very low44.4Very low102 Ų102134.8 Ų134.884%0.84378%0.779SS**  trans-127.2170.5-17300000115.7
550P50.5Low44.5Very low120 Ų120132.5 Ų132.578%0.77977%0.774SS**  trans-133.9169.5165.737.4-20.9000115.3
551S44Very low44.8Very low98 Ų98132.8 Ų132.869%0.68578%0.776SS**  cis-176.6119.3-24.162.40000114.7
552V47.8Very low45Very low134 Ų134132.7 Ų132.781%0.81278%0.776SS**  trans62177.8144.1-104.20000123
553P51.9Low45.1Very low106 Ų106131 Ų13169%0.68877%0.771SS**  cis-147179.2-12.731.7-7.1000121.5
554V57.4Low45.2Very low142 Ų142129 Ų12986%0.86177%0.771SS**  trans71.3139.3157.8-1530000119.2
555G42.7Very low45Very low68 Ų68124.3 Ų124.370%0.70176%0.763SS**  cis135177.13.100000111.1
556P48Very low45Very low127 Ų127127.2 Ų127.283%0.82577%0.765SS**  cis-131.3-175.1-30.542.2-24.1000114.8
557P56.7Low44.8Very low115 Ų115127.9 Ų127.975%0.74778%0.777SS**  trans-119.6-178.6-170.943-32.3000116.9
558Y50.9Low45Very low246 Ų246123.7 Ų123.797%0.96578%0.775SS**  trans-149.4158.7166.5-106.9-84000114.5
559A40.6Very low45.2Very low91 Ų91125.5 Ų125.575%0.75278%0.775SS**  trans-119.4171.1-162.800000115.5
560P48.6Very low45.2Very low121 Ų121126.6 Ų126.679%0.78677%0.773SS**  trans-107.3173.9-171.641.3-34.5000115.5
561P46.9Very low45.2Very low125 Ų125126.1 Ų126.181%0.81277%0.77SS**  trans-117.2163.9169.739.5-29.2000116
562M36.3Very low45.3Very low169 Ų169128.8 Ų128.883%0.83378%0.775SS**  trans-71.1178.3173.9-59.5158.571.700111.6
563V42.2Very low44.8Very low127 Ų127128.8 Ų128.877%0.7777%0.77SS**  cis-164.7151.635.4-143.10000113.1
564A37.4Very low44.5Very low80 Ų80130.2 Ų130.266%0.66178%0.777SS**  trans66.2134.3137.800000125.7
565N35.4Very low43.7Very low145 Ų145127.7 Ų127.778%0.77577%0.765SS**  76109.7128-86.3-5.6000122.6
566L38.3Very low43.8Very low151 Ų151133.1 Ų133.179%0.79177%0.773SS**  164114.5102-91.1151.9000115.3
567N36Very low43.6Very low143 Ų143131.5 Ų131.577%0.76576%0.762SS**  76.8163.2121.2-141.19.6000123.4
568V44.8Very low42.8Very low120 Ų120133.4 Ų133.473%0.72777%0.765SS**  trans76.6158.5164.7-116.50000118.6
569P43.7Very low42.5Very low106 Ų106133.4 Ų133.469%0.68877%0.765SS**  -128.6178.2-98.345.4-30.2000115.4
570P49.1Very low42.4Very low125 Ų125132 Ų13281%0.81276%0.759SS**  trans-93.3150.7-179.336.3-34.9000114.8
571P50.4Low42.3Very low110 Ų110132.2 Ų132.271%0.71476%0.758SS**  trans-129.5165.4158.539.7-27.8000113.1
572I46.6Very low42Very low153 Ų153133.6 Ų133.679%0.78576%0.759SS**  cis-154.4147.6-23.2-104.7159.1000105.1
573N37.4Very low42Very low134 Ų134131.7 Ų131.772%0.71776%0.762SS**  trans-75.3137.3-179.3-168.5-9.5000112S575N573-S575 PolarHBondContact OD1-N 3.04Å
574V45.8Very low42Very low137 Ų137130.5 Ų130.583%0.8376%0.76SS**  trans-132.295.9162.3-173.10000109.1
575S39.9Very low42Very low88 Ų88131.2 Ų131.262%0.61577%0.766SS**  trans-84.6161.5168.345.80000111.3N573N573-S575 PolarHBondContact OD1-N 3.04Å
576Q45.2Very low42.3Very low183 Ų183135.1 Ų135.186%0.85577%0.771SS**  trans173.3154.3148.6-87.1-87-32.500108.5
577P44.6Very low42.5Very low92 Ų92132.9 Ų132.960%0.59777%0.768SS**  -140.3170.7-115.542.8-25.8000118.5
578L38.9Very low42.5Very low156 Ų156137.4 Ų137.482%0.81778%0.776SS**  trans40.4113.5140.4-69.5166.5000121.1
579Y44.1Very low42.5Very low245 Ų245137.1 Ų137.196%0.96178%0.779SS**  -169.6140.3124.4-88.5-75.7000106.3
580G39.7Very low42.1Very low62 Ų62135.6 Ų135.664%0.63978%0.782SS**  cis159142.1-8.600000111.4
581V45Very low41.8Very low126 Ų126133.7 Ų133.776%0.76478%0.777SS**  trans74.789.1147-173.90000118.4
582N42.4Very low41.2Very low153 Ų153135 Ų13582%0.81878%0.784SS**  144.4115.8107.7-91.4-9.2000115.8
583S34.5Very low41.1Very low129 Ų129134.3 Ų134.390%0.90278%0.78SS**  trans-98131.5155.9-51.70000109
584S43.1Very low41.3Very low103 Ų103139.1 Ų139.172%0.7279%0.788SS**  trans-127.7128.8167.860.80000110.2
585A36.3Very low41.6Very low95 Ų95139.6 Ų139.679%0.78578%0.783SS**  trans-64.4143.8-177.400000112.6
586Y43.3Very low42.6Very low227 Ų227141 Ų14189%0.8979%0.79SS**  trans-105116.1158.1-98.5-86.8000109.7
587S41.6Very low43.2Very low103 Ų103141.9 Ų141.972%0.7279%0.791SS**  trans-72.6130.4-177.2-58.10000111.8S589S587-S589 PolarHBondContact O-N 3.48Å; S587-S589 VanDerWaalsContact O-N 3.14Å
588Y36.3Very low44.2Very low239 Ų239143.1 Ų143.194%0.93780%0.799SS**  trans-62.6109.8165.5-120.2-105.2000109.6
589S45.3Very low45.4Very low113 Ų113141.3 Ų141.379%0.7980%0.8SS**  trans-102.5107.3164.8-74.30000109S587 A591S587-S589 PolarHBondContact O-N 3.48Å; S587-S589 VanDerWaalsContact O-N 3.14Å; S589-A591 PolarHBondContact O-N 2.92Å
590G35.8Very low46.8Very low74 Ų74133.9 Ų133.976%0.76379%0.789SS**  trans-71.8118.8177.600000111.7
591A41.4Very low48.6Very low85 Ų85136.5 Ų136.570%0.70280%0.795SS**  trans-102.7102.8166.600000109.3S589 I593S589-A591 PolarHBondContact O-N 2.92Å; A591-I593 PolarHBondContact O-N 3.09Å
592T38.4Very low50.2Low138 Ų138136 Ų13685%0.84779%0.794SS**  trans-73.189179.9-52.20000110.8R594T592-R594 PolarHBondContact O-N 2.96Å
593I44.9Very low51.8Low138 Ų138134.2 Ų134.271%0.70879%0.791SS**  trans-79.3103.3172.9-59.1-179.5000109.1A591 M595A591-I593 PolarHBondContact O-N 3.09Å; I593-M595 HydrophobicContact CG2-CG 4.29Å; I593-M595 HydrophobicContact CG2-SD 4.18Å; I593-M595 PolarHBondContact O-N 3.2Å; I593-M595 VanDerWaalsContact O-N 3.15Å
594R40.2Very low53.9Low235 Ų235133.6 Ų133.689%0.88778%0.784SS**  trans-70.599.1167.9-108.1-176.2168.6-164.3-2.3109.2T592T592-R594 PolarHBondContact O-N 2.96Å
595M53.8Low55.5Low148 Ų148134.3 Ų134.373%0.72979%0.786SS**PPolyproline II helixtrans-78.3139165.2-67.6-66.3-89.700109.8I593 F597I593-M595 HydrophobicContact CG2-CG 4.29Å; I593-M595 HydrophobicContact CG2-SD 4.18Å; I593-M595 PolarHBondContact O-N 3.2Å; I593-M595 VanDerWaalsContact O-N 3.15Å; M595-F597 PolarHBondContact O-N 2.7Å
596P60.2Low56.7Low116 Ų116137.6 Ų137.675%0.75379%0.791SS**PPolyproline II helixtrans-76.1124.4-179.930.2-32.9000110.5
597F57.4Low57.8Low202 Ų202138.4 Ų138.489%0.88679%0.792SS**PPolyproline II helixtrans-68130.3168.7-78.1-85.9000109.8M595M595-F597 PolarHBondContact O-N 2.7Å
598P66.5Low58.4Low118 Ų118141.9 Ų141.977%0.76680%0.797SS**PPolyproline II helixtrans-63.4144.4169.727.2-33.1000110.1A600P598-A600 PolarHBondContact O-N 3.34Å
599S63.9Low59.4Low118 Ų118145 Ų14583%0.82581%0.809SS**PPolyproline II helixtrans-58.5133.8-176.3-41.60000111.5
600A73.6Confident60.1Low90 Ų90146.6 Ų146.674%0.74481%0.81SS**PPolyproline II helixtrans-59.5139.3172.300000110.6P598P598-A600 PolarHBondContact O-N 3.34Å
601P77.5Confident61.4Low116 Ų116150.4 Ų150.475%0.75381%0.812SS**PPolyproline II helixtrans-64.1147.3177.226.9-34.1000110.9
602P78.5Confident62.5Low115 Ų115154 Ų15475%0.74782%0.818SS**PPolyproline II helixtrans-65.7147179.728.1-34.8000111.2
603P76.4Confident64Low116 Ų116154.9 Ų154.975%0.75382%0.817SS**PPolyproline II helixtrans-64.5145176.328.1-34.5000110.8
604P77.4Confident65.2Low116 Ų116156 Ų15675%0.75382%0.824SS**PPolyproline II helixtrans-62.5145.9177.226.5-34.1000111N606P604-N606 PolarHBondContact O-N 3.44Å
605P76.5Confident66.8Low119 Ų119150.7 Ų150.777%0.77382%0.819SS**PPolyproline II helixtrans-67.7130.8-175.327-34.2000111.6R607P605-R607 PolarHBondContact O-N 3.36Å
606N63.1Low67.8Low164 Ų164150.9 Ų150.988%0.87783%0.826SS**  trans-54.1110.5170.4-96.4-21.9000110.4P604 Q608P604-N606 PolarHBondContact O-N 3.44Å; N606-Q608 PolarHBondContact O-N 3.08Å
607R64.9Low68.3Low243 Ų243153.6 Ų153.692%0.91783%0.831SS**  trans-78.3107.3161.6-84.4-170.4171.2-169.2-1.3108.8P605P605-R607 PolarHBondContact O-N 3.36Å
608Q54.9Low69.2Low176 Ų176149.6 Ų149.682%0.82283%0.827SS**  trans-72122.2158.3-66.8176.1-26.600108.6N606N606-Q608 PolarHBondContact O-N 3.08Å
609Y57.9Low69.5Low304 Ų304152.5 Ų152.5100%1.19283%0.832SS**  trans-158.40148.5-95.3-65.5000108.8

Retrieved 609 of 609 residues in 390.7 ms (Link to these results)

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