A0A061I8P4_CRIGR Loading...

HPS4, biogenesis of lysosomal organelles complex 3 subunit 2

AlphaFold DB , UniProt , Accession A0A061I8P4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Hps4, Length 670 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
1M33.7Very low29.3Very low243 Ų243140.5 Ų140.5100%1.19782%0.815SS**  0111.80-68.4-59.1-157.400107.3
2A28.1Very low30.5Very low101 Ų101136.5 Ų136.584%0.83581%0.812SS**  trans-101.3114.2172.200000107.9
3T23.8Very low33Very low134 Ų134129.8 Ų129.882%0.82278%0.775SS**PPolyproline II helixtrans-72.4122.2171.3-10.70000107.7T5T3-T5 PolarHBondContact O-N 2.94Å
4P30.4Very low36.1Very low118 Ų118122.5 Ų122.577%0.76673%0.728SS**PPolyproline II helixtrans-67.6122.5174.327.9-32.3000108.6
5T26.1Very low39.3Very low126 Ų126114.3 Ų114.377%0.77368%0.679SS**PPolyproline II helixtrans-61135.7163.837.50000108.4T3 S7T3-T5 PolarHBondContact O-N 2.94Å; T5-S7 PolarHBondContact O-N 3.39Å; T5-S7 VanDerWaalsContact O-N 3.13Å
6P27.3Very low42.2Very low120 Ų120110.4 Ų110.478%0.77965%0.654SS**PPolyproline II helixtrans-63.4119.2172.626.9-32000107.6E8P6-E8 PolarHBondContact O-N 2.88Å
7S26.3Very low45Very low104 Ų104106.9 Ų106.973%0.72763%0.627SS**  trans-66108.7171.650.70000107.7T5 I9T5-S7 PolarHBondContact O-N 3.39Å; T5-S7 VanDerWaalsContact O-N 3.13Å; S7-I9 PolarHBondContact O-N 3.02Å
8E26.5Very low47.6Very low169 Ų169100.9 Ų100.979%0.7959%0.592SS**  trans-54.1113169.6-74.9-164.3128.500108.6P6 K10P6-E8 PolarHBondContact O-N 2.88Å; E8-K10 PolarHBondContact O-N 3.37Å
9I29.1Very low50Low144 Ų14495.6 Ų95.674%0.73856%0.561SS**  trans-71.786.8167.3-57.4176.2000105.1S7 S11S7-I9 PolarHBondContact O-N 3.02Å; I9-S11 PolarHBondContact O-N 3.07Å
10K35.3Very low52.1Low173 Ų17390.9 Ų90.975%0.75253%0.533SS*.  trans-52.5107.6165.3-80.7-172.6174.7-179.90106.2E8 A12E8-K10 PolarHBondContact O-N 3.37Å; K10-A12 PolarHBondContact O-N 2.97Å
11S35.4Very low54Low113 Ų11387.2 Ų87.279%0.7951%0.51SS*.  trans-65.583.5177.3-67.80000108.2I9 S13I9-S11 PolarHBondContact O-N 3.07Å; S11-S13 VanDerWaalsContact C-N 3.27Å; S11-S13 PolarHBondContact O-N 2.97Å
12A44.1Very low56.7Low93 Ų9375.9 Ų75.977%0.76945%0.454SS*.  trans-63.593177.300000107.6K10 W14K10-A12 PolarHBondContact O-N 2.97Å; A12-W14 PolarHBondContact O-N 3.23Å
13S63.4Low59.4Low49 Ų4972.2 Ų72.234%0.34343%0.426SS..  trans-60.4115.2172.755.10000106.4S11 W15 N16S11-S13 VanDerWaalsContact C-N 3.27Å; S11-S13 PolarHBondContact O-N 2.97Å; S13-W15 CarbonylContact C-O 3.56Å; S13-W15 WeakPolarHBondContact CB-O 3.46Å; S13-W15 CarbonylContact O-C 3.47Å; S13-W15 PolarHBondContact O-N 2.78Å; S13-W15 VanDerWaalsContact O-O 3.06Å; S13-W15 PolarHBondContact OG-O 3.44Å; S13-N16 PolarHBondContact O-ND2 3.32Å
14W76.5Confident62.4Low28 Ų2867.8 Ų67.811%0.10640%0.401CS..SBendtrans-54.7-32.517757.2-85000110.8A12 N16 C96 G97 L100 F108 V146 L147 T150 R155A12-W14 PolarHBondContact O-N 3.23Å; W14-N16 PolarHBondContact O-ND2 2.91Å; W14-C96 CarbonylContact O-C 3.37Å; W14-C96 WeakPolarHBondContact O-CA 3.39Å; W14-G97 PolarHBondContact O-N 2.98Å; W14-L100 HydrophobicContact CB-CD1 3.94Å; W14-L100 HydrophobicContact CB-CG 4.49Å; W14-L100 HydrophobicContact CD2-CD1 4.07Å; W14-L100 HydrophobicContact CE3-CD1 3.4Å; W14-L100 VanDerWaalsContact CE3-CD1 3.4Å; W14-L100 HydrophobicContact CG-CD1 4.33Å; W14-L100 HydrophobicContact CZ3-CD1 4.18Å; W14-F108 HydrophobicContact CH2-CD1 4.08Å; W14-F108 AromaticContact CH2-CE1 3.55Å; W14-F108 HydrophobicContact CH2-CE1 3.55Å; W14-F108 HydrophobicContact CH2-CE2 4.31Å; W14-F108 AromaticContact CH2-CZ 3.71Å; W14-F108 HydrophobicContact CH2-CZ 3.71Å; W14-F108 AromaticContact CZ3-CD1 3.87Å; W14-F108 HydrophobicContact CZ3-CD1 3.87Å; W14-F108 AromaticContact CZ3-CE1 3.69Å; W14-F108 HydrophobicContact CZ3-CE1 3.69Å; W14-F108 HydrophobicContact CZ3-CZ 4.31Å; W14-V146 HydrophobicContact CH2-CG1 4.43Å; W14-V146 HydrophobicContact CZ2-CG1 4.33Å; W14-L147 HydrophobicContact CZ2-CD2 4.39Å; W14-T150 HydrophobicContact CZ2-CG2 4.26Å; W14-T150 WeakPolarHBondContact CZ2-OG1 3.43Å; W14-R155 VanDerWaalsContact CD1-NH1 3.34Å; W14-R155 HydrophobicContact CD2-CG 4.48Å; W14-R155 HydrophobicContact CZ2-CG 4.22Å
15W83.1Confident64.9Low0 Ų066.2 Ų66.20%038%0.382CS..EExtended strand (participates in β ladder)trans-81.3116.6161.4-164.7-29.9000109.2S13 Y17 F18 Y41 L94 F108 L112 F142 I143 V146 L147S13-W15 CarbonylContact C-O 3.56Å; S13-W15 WeakPolarHBondContact CB-O 3.46Å; S13-W15 CarbonylContact O-C 3.47Å; S13-W15 PolarHBondContact O-N 2.78Å; S13-W15 VanDerWaalsContact O-O 3.06Å; S13-W15 PolarHBondContact OG-O 3.44Å; W15-Y17 PolarHBondContact NE1-O 3.02Å; W15-F18 HydrophobicContact CZ2-CB 3.75Å; W15-F18 HydrophobicContact CZ2-CD1 4.19Å; W15-F18 HydrophobicContact CZ2-CD2 4.45Å; W15-F18 AromaticContact CZ2-CG 3.91Å; W15-F18 HydrophobicContact CZ2-CG 3.91Å; W15-Y41 AromaticContact CD1-CD1 3.99Å; W15-Y41 AromaticContact NE1-CD1 3.81Å; W15-L94 HydrophobicContact CD2-CD1 4.17Å; W15-L94 HydrophobicContact CG-CD1 4.31Å; W15-L94 HydrophobicContact CZ2-CD1 4.03Å; W15-F108 AromaticContact CE3-CE1 3.94Å; W15-F108 HydrophobicContact CE3-CE1 3.94Å; W15-F108 HydrophobicContact CE3-CZ 4.09Å; W15-F108 HydrophobicContact CH2-CE1 4.1Å; W15-F108 HydrophobicContact CH2-CZ 4.08Å; W15-F108 AromaticContact CZ3-CE1 3.71Å; W15-F108 HydrophobicContact CZ3-CE1 3.71Å; W15-F108 AromaticContact CZ3-CZ 3.54Å; W15-F108 HydrophobicContact CZ3-CZ 3.54Å; W15-L112 HydrophobicContact CH2-CD1 3.76Å; W15-L112 HydrophobicContact CH2-CD2 3.82Å; W15-L112 HydrophobicContact CH2-CG 4.45Å; W15-L112 HydrophobicContact CZ2-CD1 3.91Å; W15-L112 HydrophobicContact CZ3-CD2 4.43Å; W15-F142 HydrophobicContact CH2-CE1 4.35Å; W15-I143 HydrophobicContact CD2-CG2 4.2Å; W15-I143 HydrophobicContact CE3-CG2 4.13Å; W15-I143 HydrophobicContact CH2-CB 4.31Å; W15-I143 HydrophobicContact CH2-CD1 4.1Å; W15-I143 HydrophobicContact CH2-CG1 3.59Å; W15-I143 HydrophobicContact CH2-CG2 4.15Å; W15-I143 HydrophobicContact CZ2-CD1 3.66Å; W15-I143 HydrophobicContact CZ2-CG1 3.7Å; W15-I143 HydrophobicContact CZ2-CG2 4.19Å; W15-I143 HydrophobicContact CZ3-CB 4.5Å; W15-I143 HydrophobicContact CZ3-CG1 4.24Å; W15-I143 HydrophobicContact CZ3-CG2 4.08Å; W15-V146 HydrophobicContact CZ3-CB 4.26Å; W15-V146 HydrophobicContact CZ3-CG1 4.08Å; W15-L147 HydrophobicContact CB-CD2 4.04Å; W15-L147 HydrophobicContact CE3-CD2 4.48Å
16N86.6Confident67.7Low51 Ų5161.6 Ų61.627%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-107.4-42.5179.4-72.1-103.2000111.5S13 W14 P42 L80 G95 G97S13-N16 PolarHBondContact O-ND2 3.32Å; W14-N16 PolarHBondContact O-ND2 2.91Å; N16-P42 WeakPolarHBondContact O-CD 3.49Å; N16-L80 HydrophobicContact CB-CD2 3.83Å; N16-G95 WeakPolarHBondContact CA-O 3.06Å; N16-G95 PolarHBondContact N-O 2.87Å; N16-G97 PolarHBondContact ND2-N 3.32Å
17Y89.3Confident70.2Confident51 Ų5162.6 Ų62.620%0.235%0.346CS..EExtended strand (participates in β ladder)trans-139.9152.9179.1-60.8-77.6000110.9W15 F40 Y41 L53 L80 F82 G95W15-Y17 PolarHBondContact NE1-O 3.02Å; Y17-F40 HydrophobicContact CD1-CE1 4.05Å; Y17-F40 AromaticContact CD1-CZ 3.81Å; Y17-F40 HydrophobicContact CD1-CZ 3.81Å; Y17-F40 HydrophobicContact CE1-CZ 4.32Å; Y17-Y41 VanDerWaalsContact CA-O 3.29Å; Y17-Y41 WeakPolarHBondContact CA-O 3.33Å; Y17-L53 HydrophobicContact CD1-CD2 4.04Å; Y17-L53 HydrophobicContact CD2-CD2 4.37Å; Y17-L53 HydrophobicContact CE1-CD2 4.32Å; Y17-L53 HydrophobicContact CG-CD2 4.07Å; Y17-L80 HydrophobicContact CD2-CD1 4.2Å; Y17-L80 HydrophobicContact CE2-CD1 3.82Å; Y17-F82 HydrophobicContact CD2-CE1 4.4Å; Y17-F82 HydrophobicContact CD2-CZ 4.09Å; Y17-G95 PolarHBondContact N-O 2.96Å; Y17-G95 VanDerWaalsContact N-O 3.09Å; Y17-G95 PolarHBondContact O-N 3.25Å
18F91.8Very high72.7Confident0 Ų059.5 Ų59.50%033%0.33CS..EExtended strand (participates in β ladder)trans-152.9135.8161.9166.4-103.3000109.1W15 Y39 Y41 W92 A93 L94 L109 L112 W139 I143W15-F18 HydrophobicContact CZ2-CB 3.75Å; W15-F18 HydrophobicContact CZ2-CD1 4.19Å; W15-F18 HydrophobicContact CZ2-CD2 4.45Å; W15-F18 AromaticContact CZ2-CG 3.91Å; W15-F18 HydrophobicContact CZ2-CG 3.91Å; F18-Y39 AromaticContact CD1-CD1 3.98Å; F18-Y39 HydrophobicContact CD1-CD1 3.98Å; F18-Y39 AromaticContact CD1-CE1 3.85Å; F18-Y39 HydrophobicContact CD1-CE1 3.85Å; F18-Y39 HydrophobicContact CE1-CD1 4.02Å; F18-Y39 HydrophobicContact CE1-CE1 4.18Å; F18-Y41 PolarHBondContact N-O 2.97Å; F18-Y41 PolarHBondContact O-N 2.79Å; F18-W92 HydrophobicContact CE2-CE3 4.14Å; F18-W92 AromaticContact CZ-CE3 3.87Å; F18-W92 HydrophobicContact CZ-CE3 3.87Å; F18-W92 AromaticContact CZ-CZ3 3.91Å; F18-W92 HydrophobicContact CZ-CZ3 3.91Å; F18-A93 CarbonylContact C-O 3.59Å; F18-A93 VanDerWaalsContact CA-O 3.3Å; F18-A93 WeakPolarHBondContact CA-O 3.43Å; F18-A93 WeakPolarHBondContact CD2-O 3.48Å; F18-L94 HydrophobicContact CB-CD1 4.11Å; F18-L94 HydrophobicContact CD2-CB 4.24Å; F18-L94 HydrophobicContact CD2-CD1 4.19Å; F18-L109 HydrophobicContact CE2-CD1 4.02Å; F18-L112 HydrophobicContact CD2-CD1 4Å; F18-L112 HydrophobicContact CE2-CD1 3.79Å; F18-L112 HydrophobicContact CZ-CD1 4.33Å; F18-W139 HydrophobicContact CE1-CD2 4.07Å; F18-W139 AromaticContact CE1-CE3 3.85Å; F18-W139 HydrophobicContact CE1-CE3 3.85Å; F18-W139 AromaticContact CE1-CH2 3.94Å; F18-W139 HydrophobicContact CE1-CH2 3.94Å; F18-W139 HydrophobicContact CE1-CZ2 4.15Å; F18-W139 AromaticContact CE1-CZ3 3.79Å; F18-W139 HydrophobicContact CE1-CZ3 3.79Å; F18-W139 HydrophobicContact CZ-CE3 4.43Å; F18-W139 AromaticContact CZ-CH2 3.72Å; F18-W139 HydrophobicContact CZ-CH2 3.72Å; F18-W139 HydrophobicContact CZ-CZ2 4.1Å; F18-W139 AromaticContact CZ-CZ3 3.91Å; F18-W139 HydrophobicContact CZ-CZ3 3.91Å; F18-I143 HydrophobicContact CD1-CD1 4.12Å
19F92.6Very high74.9Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-147155.3176.864.6-99.1000112.7Y39 F40 L53 C54 L57 A93F19-Y39 VanDerWaalsContact CA-O 3.23Å; F19-Y39 WeakPolarHBondContact CA-O 2.94Å; F19-Y39 VanDerWaalsContact CB-O 3.24Å; F19-Y39 WeakPolarHBondContact CB-O 3.42Å; F19-F40 HydrophobicContact CB-CB 4.4Å; F19-F40 HydrophobicContact CB-CD2 3.69Å; F19-F40 HydrophobicContact CB-CE2 4.34Å; F19-F40 HydrophobicContact CB-CG 4.3Å; F19-F40 HydrophobicContact CD1-CD2 4.18Å; F19-F40 AromaticContact CD1-CE2 3.98Å; F19-F40 HydrophobicContact CD1-CE2 3.98Å; F19-F40 HydrophobicContact CG-CD2 4.18Å; F19-F40 HydrophobicContact CG-CE2 4.44Å; F19-L53 HydrophobicContact CE1-CG 4.44Å; F19-C54 HydrophobicContact CE2-CB 4.36Å; F19-L57 HydrophobicContact CE1-CD1 3.61Å; F19-L57 HydrophobicContact CZ-CB 4.03Å; F19-L57 HydrophobicContact CZ-CD1 3.61Å; F19-L57 HydrophobicContact CZ-CG 4.47Å; F19-A93 HydrophobicContact CD1-CB 4.1Å; F19-A93 HydrophobicContact CD2-CB 4.16Å; F19-A93 HydrophobicContact CE1-CB 3.63Å; F19-A93 HydrophobicContact CE2-CB 3.7Å; F19-A93 HydrophobicContact CG-CB 4.35Å; F19-A93 HydrophobicContact CZ-CB 3.42Å; F19-A93 VanDerWaalsContact CZ-CB 3.42Å; F19-A93 PolarHBondContact N-O 2.94Å; F19-A93 PolarHBondContact O-N 3.38Å
20L92.2Very high77.2Confident0 Ų058.2 Ų58.20%034%0.341CS..EExtended strand (participates in β ladder)trans-117.8121.1171.8172.759.6000107.9C38 Y39 Y90 W92 V123 Y127L20-C38 HydrophobicContact CB-CB 4.37Å; L20-C38 HydrophobicContact CD2-CB 4.12Å; L20-C38 HydrophobicContact CG-CB 3.91Å; L20-C38 WeakPolarHBondContact O-CB 3.33Å; L20-C38 PolarHBondContact O-N 3.14Å; L20-Y39 PolarHBondContact N-O 3.33Å; L20-Y39 PolarHBondContact O-N 2.94Å; L20-Y90 HydrophobicContact CD1-CD1 4.24Å; L20-W92 HydrophobicContact CB-CE3 4.3Å; L20-W92 HydrophobicContact CB-CZ3 4.39Å; L20-W92 HydrophobicContact CD1-CD2 3.73Å; L20-W92 HydrophobicContact CD1-CE3 3.93Å; L20-W92 HydrophobicContact CD1-CG 4.25Å; L20-W92 HydrophobicContact CD1-CH2 4.33Å; L20-W92 HydrophobicContact CD1-CZ2 4.15Å; L20-W92 HydrophobicContact CD1-CZ3 4.21Å; L20-W92 HydrophobicContact CD2-CH2 4.07Å; L20-W92 HydrophobicContact CD2-CZ2 4.5Å; L20-W92 HydrophobicContact CD2-CZ3 4.12Å; L20-W92 HydrophobicContact CG-CZ3 4.48Å; L20-V123 HydrophobicContact CD2-CG1 3.87Å; L20-Y127 HydrophobicContact CD2-CE2 3.62Å
21Y91.8Very high79.5Confident15 Ų1553.1 Ų53.16%0.05932%0.322CS..EExtended strand (participates in β ladder)trans-120.3132.4-176.3-179-91.7000110.8V26 T33 G36 I37 C54 A58 Y90 L91Y21-V26 WeakPolarHBondContact OH-CB 3.41Å; Y21-V26 WeakPolarHBondContact OH-CG2 3.38Å; Y21-T33 HydrophobicContact CE2-CG2 3.88Å; Y21-T33 WeakPolarHBondContact CE2-O 3.25Å; Y21-G36 CarbonylContact C-O 3.46Å; Y21-G36 WeakPolarHBondContact CA-O 3.18Å; Y21-I37 HydrophobicContact CD2-CG1 4.2Å; Y21-C54 HydrophobicContact CD2-CB 4.08Å; Y21-C54 HydrophobicContact CE2-CB 4.39Å; Y21-A58 HydrophobicContact CD1-CB 4.31Å; Y21-A58 HydrophobicContact CE1-CB 4Å; Y21-Y90 CarbonylContact O-C 3.54Å; Y21-Y90 WeakPolarHBondContact O-CA 3.37Å; Y21-L91 HydrophobicContact CD1-CB 4.35Å; Y21-L91 HydrophobicContact CD1-CD2 4.37Å; Y21-L91 PolarHBondContact N-O 3.03Å; Y21-L91 PolarHBondContact O-N 2.98Å
22D91.3Very high81.8Confident4 Ų450.5 Ų50.52%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-103.596.1-177.9-175.7-17.1000109.5S24 K25 G36 Y90D22-S24 PolarHBondContact O-N 3.13Å; D22-S24 WeakPolarHBondContact OD1-CA 3.16Å; D22-S24 WeakPolarHBondContact OD1-CB 3.17Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 PolarHBondContact OD1-OG 3.29Å; D22-K25 HydrophobicContact CB-CD 4.1Å; D22-K25 HydrophobicContact CB-CG 4.43Å; D22-K25 PolarHBondContact O-N 2.88Å; D22-K25 WeakPolarHBondContact OD2-CE 3.26Å; D22-K25 IonicContact OD2-NZ 3.32Å; D22-K25 PolarHBondContact OD2-NZ 2.84Å; D22-K25 VanDerWaalsContact OD2-NZ 3.13Å; D22-G36 PolarHBondContact N-O 2.82Å; D22-Y90 HydrophobicContact CB-CD1 3.99Å; D22-Y90 HydrophobicContact CB-CE1 3.75Å; D22-Y90 VanDerWaalsContact CG-CE1 3.43Å; D22-Y90 WeakPolarHBondContact OD2-CE1 3.49Å
23G85.4Confident83.7Confident24 Ų2447.7 Ų47.725%0.24728%0.276CS..THydrogen-bonded Turntrans-68.3-7.7177.200000113.6K25 D89G23-K25 PolarHBondContact O-N 3.27Å; G23-D89 PolarHBondContact N-O 3.22Å
24S85.9Confident84.8Confident41 Ų4152 Ų5229%0.28729%0.285SS..THydrogen-bonded Turntrans-71.2-24.3176.883.10000112.5D22 K27 D89D22-S24 PolarHBondContact O-N 3.13Å; D22-S24 WeakPolarHBondContact OD1-CA 3.16Å; D22-S24 WeakPolarHBondContact OD1-CB 3.17Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 PolarHBondContact OD1-OG 3.29Å; S24-K27 WeakPolarHBondContact O-CD 3.35Å; S24-K27 WeakPolarHBondContact O-CE 3.3Å; S24-K27 PolarHBondContact O-NZ 2.87Å; S24-D89 WeakPolarHBondContact CB-OD2 3.25Å
25K84Confident85.2Confident86 Ų8653 Ų5337%0.37430%0.299SS..SBendtrans-93.8-12.8-172.7-64.2175.9-177.2150.60115.5D22 G23 A35 C38D22-K25 HydrophobicContact CB-CD 4.1Å; D22-K25 HydrophobicContact CB-CG 4.43Å; D22-K25 PolarHBondContact O-N 2.88Å; D22-K25 WeakPolarHBondContact OD2-CE 3.26Å; D22-K25 IonicContact OD2-NZ 3.32Å; D22-K25 PolarHBondContact OD2-NZ 2.84Å; D22-K25 VanDerWaalsContact OD2-NZ 3.13Å; G23-K25 PolarHBondContact O-N 3.27Å; K25-A35 WeakPolarHBondContact CD-O 3.3Å; K25-C38 PolarHBondContact NZ-SG 2.8Å
26V83.8Confident85.4Confident29 Ų2953 Ų5318%0.17630%0.299CS..  trans-126.796.4-175.7-177.70000107.8Y21 D31 A35Y21-V26 WeakPolarHBondContact OH-CB 3.41Å; Y21-V26 WeakPolarHBondContact OH-CG2 3.38Å; V26-D31 HydrophobicContact CB-CB 4.41Å; V26-D31 HydrophobicContact CG1-CB 3.99Å; V26-A35 HydrophobicContact CG2-CB 4.46Å
27K80.5Confident85.6Confident140 Ų14051.5 Ų51.561%0.60929%0.291SS*.  trans-133.1-18.8-169.6-75.1177.5173.5153.50114.2S24 D31S24-K27 WeakPolarHBondContact O-CD 3.35Å; S24-K27 WeakPolarHBondContact O-CE 3.3Å; S24-K27 PolarHBondContact O-NZ 2.87Å; K27-D31 PolarHBondContact N-OD2 3.37Å
28G77.6Confident85.5Confident39 Ų3949 Ų4940%0.40228%0.281SS..SBendtrans-105.6155.7168.400000112.2G30 D31G28-G30 PolarHBondContact O-N 2.86Å; G28-D31 PolarHBondContact N-OD2 2.83Å; G28-D31 WeakPolarHBondContact O-CB 3.23Å; G28-D31 PolarHBondContact O-N 2.66Å
29E74.3Confident85.5Confident212 Ų21249.5 Ų49.599%0.99128%0.283SS*.THydrogen-bonded Turntrans-61.4-24.9177.8-172.2178.2-179.800113.4
30G76.5Confident85.4Confident75 Ų7550 Ų5077%0.77329%0.285SS*.THydrogen-bonded Turntrans-90.5-0.6174.600000115.2G28G28-G30 PolarHBondContact O-N 2.86Å
31D83.3Confident85.3Confident65 Ų6551.9 Ų51.935%0.34829%0.292SS..SBendtrans-76.6121.7177.1-66.8-21.4000109.1V26 K27 G28 T33V26-D31 HydrophobicContact CB-CB 4.41Å; V26-D31 HydrophobicContact CG1-CB 3.99Å; K27-D31 PolarHBondContact N-OD2 3.37Å; G28-D31 PolarHBondContact N-OD2 2.83Å; G28-D31 WeakPolarHBondContact O-CB 3.23Å; G28-D31 PolarHBondContact O-N 2.66Å; D31-T33 PolarHBondContact O-N 2.65Å
32P83Confident85.1Confident58 Ų5852.9 Ų52.938%0.37730%0.301SS..  trans-68126.5-179.529.1-34.3000109.3R34 A35P32-R34 HydrophobicContact CB-CG 3.92Å; P32-R34 PolarHBondContact O-N 2.89Å; P32-R34 VanDerWaalsContact O-N 3.11Å; P32-A35 HydrophobicContact CG-CB 4.35Å; P32-A35 VanDerWaalsContact O-CB 3.23Å; P32-A35 WeakPolarHBondContact O-CB 3.48Å; P32-A35 PolarHBondContact O-N 3.34Å
33T85.5Confident84.7Confident34 Ų3456.2 Ų56.221%0.20932%0.324CS..G310 helixtrans-58.1-29.8-175.3-72.70000112Y21 D31 A35 G36 E51 C54Y21-T33 HydrophobicContact CE2-CG2 3.88Å; Y21-T33 WeakPolarHBondContact CE2-O 3.25Å; D31-T33 PolarHBondContact O-N 2.65Å; T33-A35 PolarHBondContact O-N 3.36Å; T33-A35 VanDerWaalsContact O-N 3.15Å; T33-G36 PolarHBondContact O-N 3.14Å; T33-E51 WeakPolarHBondContact CA-OE1 3.19Å; T33-E51 HydrophobicContact CG2-CG 3.98Å; T33-E51 PolarHBondContact N-OE1 3.08Å; T33-C54 HydrophobicContact CG2-CB 4.38Å
34R85.3Confident84.6Confident140 Ų14064.4 Ų64.453%0.52835%0.353SS..G310 helixtrans-55.7-25.5170.555.2-179.9165.2-106.24.2114.8P32 G36 I37 E51P32-R34 HydrophobicContact CB-CG 3.92Å; P32-R34 PolarHBondContact O-N 2.89Å; P32-R34 VanDerWaalsContact O-N 3.11Å; R34-G36 PolarHBondContact O-N 3Å; R34-I37 PolarHBondContact O-N 3.22Å; R34-I37 VanDerWaalsContact O-N 3.11Å; R34-E51 HydrophobicContact CB-CG 4.35Å; R34-E51 WeakPolarHBondContact CB-OE2 3.3Å; R34-E51 WeakPolarHBondContact CD-OE2 3.46Å; R34-E51 VanDerWaalsContact CG-OE2 3.32Å; R34-E51 WeakPolarHBondContact CG-OE2 3.35Å; R34-E51 IonicContact CZ-OE2 3.32Å; R34-E51 VanDerWaalsContact N-CD 3.3Å; R34-E51 PolarHBondContact N-OE1 3Å; R34-E51 IonicContact NE-OE2 3.17Å; R34-E51 IonicContact NH1-OE1 2.9Å; R34-E51 IonicContact NH1-OE2 3.13Å; R34-E51 PolarHBondContact NH1-OE2 3.25Å
35A85.9Confident84.6Confident50 Ų5063.5 Ų63.541%0.41335%0.346SS..G310 helixtrans-65.8-25.3175.300000112.9K25 V26 P32 T33K25-A35 WeakPolarHBondContact CD-O 3.3Å; V26-A35 HydrophobicContact CG2-CB 4.46Å; P32-A35 HydrophobicContact CG-CB 4.35Å; P32-A35 VanDerWaalsContact O-CB 3.23Å; P32-A35 WeakPolarHBondContact O-CB 3.48Å; P32-A35 PolarHBondContact O-N 3.34Å; T33-A35 PolarHBondContact O-N 3.36Å; T33-A35 VanDerWaalsContact O-N 3.15Å
36G86.8Confident84.8Confident0 Ų065.5 Ų65.50%036%0.36CS..G310 helixtrans-78.4-16.4172.700000114.1Y21 D22 T33 R34 C38Y21-G36 CarbonylContact C-O 3.46Å; Y21-G36 WeakPolarHBondContact CA-O 3.18Å; D22-G36 PolarHBondContact N-O 2.82Å; T33-G36 PolarHBondContact O-N 3.14Å; R34-G36 PolarHBondContact O-N 3Å; G36-C38 PolarHBondContact O-N 3.1Å; G36-C38 VanDerWaalsContact O-N 3.09Å
37I90.8Very high85Confident18 Ų1869.9 Ų69.99%0.09238%0.382CS..EExtended strand (participates in β ladder)trans-77.4103.8-173.2-57.4178.3000110.3Y21 R34 F40 Q50 C54 Q132Y21-I37 HydrophobicContact CD2-CG1 4.2Å; R34-I37 PolarHBondContact O-N 3.22Å; R34-I37 VanDerWaalsContact O-N 3.11Å; I37-F40 HydrophobicContact CG2-CB 3.97Å; I37-Q50 HydrophobicContact CD1-CB 4.14Å; I37-C54 HydrophobicContact CD1-CB 4.16Å; I37-C54 HydrophobicContact CG1-CB 4.26Å; I37-Q132 PolarHBondContact O-NE2 3Å
38C88.3Confident85.4Confident0 Ų068.9 Ų68.90%038%0.383CS..EExtended strand (participates in β ladder)trans-85.3-28.6177.9-94.20000112.9L20 K25 G36 Y127 Q132L20-C38 HydrophobicContact CB-CB 4.37Å; L20-C38 HydrophobicContact CD2-CB 4.12Å; L20-C38 HydrophobicContact CG-CB 3.91Å; L20-C38 WeakPolarHBondContact O-CB 3.33Å; L20-C38 PolarHBondContact O-N 3.14Å; K25-C38 PolarHBondContact NZ-SG 2.8Å; G36-C38 PolarHBondContact O-N 3.1Å; G36-C38 VanDerWaalsContact O-N 3.09Å; C38-Y127 HydrophobicContact CB-CD1 4.46Å; C38-Y127 HydrophobicContact CB-CE1 3.81Å; C38-Y127 HydrophobicContact CB-CE2 4.32Å; C38-Y127 WeakPolarHBondContact O-CE1 3.22Å; C38-Y127 PolarHBondContact O-OH 3.24Å; C38-Q132 PolarHBondContact O-NE2 2.85Å; C38-Q132 VanDerWaalsContact O-NE2 3.16Å
39Y90.9Very high85.9Confident9 Ų971.5 Ų71.54%0.03539%0.385CS..EExtended strand (participates in β ladder)trans-161.3145.8169.2176.8-105.6000110.1F18 F19 L20 W139 D140 I143F18-Y39 AromaticContact CD1-CD1 3.98Å; F18-Y39 HydrophobicContact CD1-CD1 3.98Å; F18-Y39 AromaticContact CD1-CE1 3.85Å; F18-Y39 HydrophobicContact CD1-CE1 3.85Å; F18-Y39 HydrophobicContact CE1-CD1 4.02Å; F18-Y39 HydrophobicContact CE1-CE1 4.18Å; F19-Y39 VanDerWaalsContact CA-O 3.23Å; F19-Y39 WeakPolarHBondContact CA-O 2.94Å; F19-Y39 VanDerWaalsContact CB-O 3.24Å; F19-Y39 WeakPolarHBondContact CB-O 3.42Å; L20-Y39 PolarHBondContact N-O 3.33Å; L20-Y39 PolarHBondContact O-N 2.94Å; Y39-W139 HydrophobicContact CD1-CB 4.09Å; Y39-W139 AromaticContact CD1-CG 3.97Å; Y39-W139 HydrophobicContact CD1-CG 3.97Å; Y39-W139 HydrophobicContact CD2-CB 4.05Å; Y39-W139 HydrophobicContact CD2-CG 4.35Å; Y39-W139 HydrophobicContact CE1-CB 3.65Å; Y39-W139 AromaticContact CE1-CG 3.98Å; Y39-W139 HydrophobicContact CE1-CG 3.98Å; Y39-W139 HydrophobicContact CE2-CB 3.61Å; Y39-W139 HydrophobicContact CE2-CG 4.36Å; Y39-W139 HydrophobicContact CG-CB 4.27Å; Y39-W139 AromaticContact CG-CD1 3.83Å; Y39-W139 HydrophobicContact CG-CG 4.16Å; Y39-D140 PolarHBondContact OH-OD1 3.21Å; Y39-I143 HydrophobicContact CE1-CD1 3.95Å; Y39-I143 WeakPolarHBondContact OH-CD1 3.39Å
40F91.3Very high86.7Confident10 Ų1062.4 Ų62.44%0.04434%0.342CS..EExtended strand (participates in β ladder)trans-142.1128174.6-168.7-77.9000111.3Y17 F19 I37 T45 Q50 L53Y17-F40 HydrophobicContact CD1-CE1 4.05Å; Y17-F40 AromaticContact CD1-CZ 3.81Å; Y17-F40 HydrophobicContact CD1-CZ 3.81Å; Y17-F40 HydrophobicContact CE1-CZ 4.32Å; F19-F40 HydrophobicContact CB-CB 4.4Å; F19-F40 HydrophobicContact CB-CD2 3.69Å; F19-F40 HydrophobicContact CB-CE2 4.34Å; F19-F40 HydrophobicContact CB-CG 4.3Å; F19-F40 HydrophobicContact CD1-CD2 4.18Å; F19-F40 AromaticContact CD1-CE2 3.98Å; F19-F40 HydrophobicContact CD1-CE2 3.98Å; F19-F40 HydrophobicContact CG-CD2 4.18Å; F19-F40 HydrophobicContact CG-CE2 4.44Å; I37-F40 HydrophobicContact CG2-CB 3.97Å; F40-T45 HydrophobicContact CE1-CG2 3.92Å; F40-T45 HydrophobicContact CZ-CG2 4.26Å; F40-Q50 HydrophobicContact CD1-CB 4.39Å; F40-Q50 HydrophobicContact CD1-CG 3.67Å; F40-Q50 HydrophobicContact CD2-CB 3.91Å; F40-Q50 HydrophobicContact CD2-CG 4.11Å; F40-Q50 HydrophobicContact CE1-CB 4.46Å; F40-Q50 HydrophobicContact CE1-CG 3.79Å; F40-Q50 HydrophobicContact CE2-CB 3.97Å; F40-Q50 HydrophobicContact CE2-CG 4.19Å; F40-Q50 HydrophobicContact CG-CB 4.14Å; F40-Q50 HydrophobicContact CG-CG 3.86Å; F40-Q50 HydrophobicContact CZ-CB 4.25Å; F40-Q50 HydrophobicContact CZ-CG 4.04Å; F40-L53 HydrophobicContact CE2-CD2 4.18Å; F40-L53 HydrophobicContact CZ-CD2 4.02Å
41Y88.6Confident87.4Confident40 Ų4060.3 Ų60.316%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-115.1134.4171.5-179.8-89.3000110W15 Y17 F18 I143 L147W15-Y41 AromaticContact CD1-CD1 3.99Å; W15-Y41 AromaticContact NE1-CD1 3.81Å; Y17-Y41 VanDerWaalsContact CA-O 3.29Å; Y17-Y41 WeakPolarHBondContact CA-O 3.33Å; F18-Y41 PolarHBondContact N-O 2.97Å; F18-Y41 PolarHBondContact O-N 2.79Å; Y41-I143 HydrophobicContact CD1-CD1 4.44Å; Y41-I143 HydrophobicContact CD1-CG2 4.49Å; Y41-I143 HydrophobicContact CD2-CB 4.47Å; Y41-I143 HydrophobicContact CD2-CD1 3.7Å; Y41-I143 HydrophobicContact CD2-CG2 4Å; Y41-I143 HydrophobicContact CE1-CG2 4.17Å; Y41-I143 HydrophobicContact CE2-CB 4.38Å; Y41-I143 HydrophobicContact CE2-CD1 4.41Å; Y41-I143 HydrophobicContact CE2-CG2 3.63Å; Y41-I143 HydrophobicContact CG-CD1 3.73Å; Y41-I143 HydrophobicContact CG-CG2 4.42Å; Y41-L147 WeakPolarHBondContact OH-CD1 3.48Å
42P88.6Confident87.8Confident37 Ų3762 Ų6224%0.2432%0.321CS..SBendcis-78.1140.30.3-14.431.3000112.7N16 K44 T45N16-P42 WeakPolarHBondContact O-CD 3.49Å; P42-K44 PolarHBondContact O-N 3.47Å; P42-T45 WeakPolarHBondContact O-CB 3.45Å; P42-T45 PolarHBondContact O-N 2.98Å; P42-T45 PolarHBondContact O-OG1 3.25Å
43S82Confident88.1Confident73 Ų7360.7 Ų60.751%0.5131%0.311SS..THydrogen-bonded Turntrans-61.9-7.6177.247.30000114.7D140S43-D140 PolarHBondContact OG-OD2 2.91Å
44K84.1Confident88.4Confident196 Ų19659.1 Ų59.185%0.85230%0.301SS*.THydrogen-bonded Turntrans-89-7.8175.4-61.1-178.6-178.8179.10114.5P42P42-K44 PolarHBondContact O-N 3.47Å
45T85.8Confident88.7Confident22 Ų2253.6 Ų53.614%0.13529%0.288CS..SBendtrans-69.8137.2179-65.90000110.7F40 P42 Q49 Q50F40-T45 HydrophobicContact CE1-CG2 3.92Å; F40-T45 HydrophobicContact CZ-CG2 4.26Å; P42-T45 WeakPolarHBondContact O-CB 3.45Å; P42-T45 PolarHBondContact O-N 2.98Å; P42-T45 PolarHBondContact O-OG1 3.25Å; T45-Q49 HydrophobicContact CG2-CB 3.96Å; T45-Q49 HydrophobicContact CG2-CG 4.01Å; T45-Q50 HydrophobicContact CG2-CG 3.76Å; T45-Q50 PolarHBondContact O-NE2 2.75Å
46L88.8Confident88.9Confident128 Ų12856.6 Ų56.667%0.6729%0.293SS*.  trans-60.1139.4179.4-63.3176.6000111.3D48 Q49 Q50L46-D48 VanDerWaalsContact C-N 3.32Å; L46-D48 PolarHBondContact O-N 2.65Å; L46-Q49 HydrophobicContact CB-CB 4.42Å; L46-Q49 WeakPolarHBondContact O-CA 3.27Å; L46-Q49 WeakPolarHBondContact O-CB 3.48Å; L46-Q49 PolarHBondContact O-N 2.78Å; L46-Q50 PolarHBondContact O-N 3.1Å
47L87.2Confident89.2Confident121 Ų12157.1 Ų57.163%0.63430%0.296SS*.Hα-helixtrans-55.7-43.8-172.8-65.9176.8000112.9Q49 Q50 E51L47-Q49 PolarHBondContact O-N 2.98Å; L47-Q50 WeakPolarHBondContact O-CB 3.39Å; L47-Q50 PolarHBondContact O-N 2.97Å; L47-Q50 VanDerWaalsContact O-N 3.12Å; L47-E51 WeakPolarHBondContact O-CB 3.26Å; L47-E51 PolarHBondContact O-N 3.13Å
48D89.5Confident89.2Confident120 Ų12057.1 Ų57.164%0.64230%0.299SS*.Hα-helixtrans-62.5-31.7178.5-49.6-50.3000112.2L46 L52L46-D48 VanDerWaalsContact C-N 3.32Å; L46-D48 PolarHBondContact O-N 2.65Å; D48-L52 VanDerWaalsContact O-CB 3.25Å; D48-L52 WeakPolarHBondContact O-CB 3.3Å; D48-L52 PolarHBondContact O-N 3.19Å
49Q88.4Confident89.2Confident93 Ų9359.1 Ų59.144%0.43532%0.319SS..Hα-helixtrans-76.5-35.9175.4-171.2-178.415.500112T45 L46 L47 L53T45-Q49 HydrophobicContact CG2-CB 3.96Å; T45-Q49 HydrophobicContact CG2-CG 4.01Å; L46-Q49 HydrophobicContact CB-CB 4.42Å; L46-Q49 WeakPolarHBondContact O-CA 3.27Å; L46-Q49 WeakPolarHBondContact O-CB 3.48Å; L46-Q49 PolarHBondContact O-N 2.78Å; L47-Q49 PolarHBondContact O-N 2.98Å; Q49-L53 WeakPolarHBondContact O-CB 3.4Å; Q49-L53 PolarHBondContact O-N 3.29Å; Q49-L53 VanDerWaalsContact O-N 3.07Å
50Q90.5Very high89.3Confident21 Ų2161.8 Ų61.810%0.09834%0.336CS..Hα-helixtrans-62.1-46.8171.1-56.5-174.119.400110.2I37 F40 T45 L46 L47 L53 C54I37-Q50 HydrophobicContact CD1-CB 4.14Å; F40-Q50 HydrophobicContact CD1-CB 4.39Å; F40-Q50 HydrophobicContact CD1-CG 3.67Å; F40-Q50 HydrophobicContact CD2-CB 3.91Å; F40-Q50 HydrophobicContact CD2-CG 4.11Å; F40-Q50 HydrophobicContact CE1-CB 4.46Å; F40-Q50 HydrophobicContact CE1-CG 3.79Å; F40-Q50 HydrophobicContact CE2-CB 3.97Å; F40-Q50 HydrophobicContact CE2-CG 4.19Å; F40-Q50 HydrophobicContact CG-CB 4.14Å; F40-Q50 HydrophobicContact CG-CG 3.86Å; F40-Q50 HydrophobicContact CZ-CB 4.25Å; F40-Q50 HydrophobicContact CZ-CG 4.04Å; T45-Q50 HydrophobicContact CG2-CG 3.76Å; T45-Q50 PolarHBondContact O-NE2 2.75Å; L46-Q50 PolarHBondContact O-N 3.1Å; L47-Q50 WeakPolarHBondContact O-CB 3.39Å; L47-Q50 PolarHBondContact O-N 2.97Å; L47-Q50 VanDerWaalsContact O-N 3.12Å; Q50-L53 PolarHBondContact O-N 2.66Å; Q50-C54 WeakPolarHBondContact O-CB 3.43Å; Q50-C54 PolarHBondContact O-N 2.93Å; Q50-C54 PolarHBondContact O-SG 2.69Å
51E90.6Very high89.3Confident31 Ų3161.8 Ų61.815%0.14534%0.337CS..Hα-helixtrans-65.2-45.2-178.3-169.9159.1-168.500111.9T33 R34 L47 G55T33-E51 WeakPolarHBondContact CA-OE1 3.19Å; T33-E51 HydrophobicContact CG2-CG 3.98Å; T33-E51 PolarHBondContact N-OE1 3.08Å; R34-E51 HydrophobicContact CB-CG 4.35Å; R34-E51 WeakPolarHBondContact CB-OE2 3.3Å; R34-E51 WeakPolarHBondContact CD-OE2 3.46Å; R34-E51 VanDerWaalsContact CG-OE2 3.32Å; R34-E51 WeakPolarHBondContact CG-OE2 3.35Å; R34-E51 IonicContact CZ-OE2 3.32Å; R34-E51 VanDerWaalsContact N-CD 3.3Å; R34-E51 PolarHBondContact N-OE1 3Å; R34-E51 IonicContact NE-OE2 3.17Å; R34-E51 IonicContact NH1-OE1 2.9Å; R34-E51 IonicContact NH1-OE2 3.13Å; R34-E51 PolarHBondContact NH1-OE2 3.25Å; L47-E51 WeakPolarHBondContact O-CB 3.26Å; L47-E51 PolarHBondContact O-N 3.13Å; E51-G55 PolarHBondContact O-N 3.48Å
52L91.1Very high89.3Confident102 Ų10264.9 Ų64.953%0.53435%0.348SS..Hα-helixtrans-58.8-47.5173.6-17865.1000112.2D48 Q56D48-L52 VanDerWaalsContact O-CB 3.25Å; D48-L52 WeakPolarHBondContact O-CB 3.3Å; D48-L52 PolarHBondContact O-N 3.19Å; L52-Q56 HydrophobicContact CD1-CG 4.26Å; L52-Q56 WeakPolarHBondContact O-CB 3.31Å; L52-Q56 VanDerWaalsContact O-CG 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.27Å; L52-Q56 PolarHBondContact O-N 3.25Å
53L90.8Very high89.4Confident30 Ų3066.4 Ų66.416%0.15736%0.359CS..Hα-helixtrans-67.7-42.7-177.9-17763.3000112Y17 F19 F40 Q49 Q50 L57 F82Y17-L53 HydrophobicContact CD1-CD2 4.04Å; Y17-L53 HydrophobicContact CD2-CD2 4.37Å; Y17-L53 HydrophobicContact CE1-CD2 4.32Å; Y17-L53 HydrophobicContact CG-CD2 4.07Å; F19-L53 HydrophobicContact CE1-CG 4.44Å; F40-L53 HydrophobicContact CE2-CD2 4.18Å; F40-L53 HydrophobicContact CZ-CD2 4.02Å; Q49-L53 WeakPolarHBondContact O-CB 3.4Å; Q49-L53 PolarHBondContact O-N 3.29Å; Q49-L53 VanDerWaalsContact O-N 3.07Å; Q50-L53 PolarHBondContact O-N 2.66Å; L53-L57 HydrophobicContact CD1-CD1 3.81Å; L53-L57 HydrophobicContact CD1-CG 4.39Å; L53-L57 HydrophobicContact CG-CD1 4.02Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 2.9Å; L53-L57 VanDerWaalsContact O-N 3.09Å; L53-F82 HydrophobicContact CD1-CZ 4.01Å; L53-F82 HydrophobicContact CD2-CE1 4.47Å; L53-F82 HydrophobicContact CD2-CZ 4.24Å
54C91.7Very high89.9Confident0 Ų066.2 Ų66.20%035%0.352CS..Hα-helixtrans-65-45.7176.9-65.50000111.1F19 Y21 T33 I37 Q50 L57 A58F19-C54 HydrophobicContact CE2-CB 4.36Å; Y21-C54 HydrophobicContact CD2-CB 4.08Å; Y21-C54 HydrophobicContact CE2-CB 4.39Å; T33-C54 HydrophobicContact CG2-CB 4.38Å; I37-C54 HydrophobicContact CD1-CB 4.16Å; I37-C54 HydrophobicContact CG1-CB 4.26Å; Q50-C54 WeakPolarHBondContact O-CB 3.43Å; Q50-C54 PolarHBondContact O-N 2.93Å; Q50-C54 PolarHBondContact O-SG 2.69Å; C54-L57 PolarHBondContact O-N 3.48Å; C54-A58 WeakPolarHBondContact O-CB 3.39Å; C54-A58 PolarHBondContact O-N 3.49Å
55G90.4Very high90.1Very high24 Ų2461.7 Ų61.725%0.24733%0.33CS..Hα-helixtrans-62.9-45.3178.800000113E51 G59E51-G55 PolarHBondContact O-N 3.48Å; G55-G59 PolarHBondContact O-N 3.46Å
56Q91.5Very high90.3Very high113 Ų11365.3 Ų65.353%0.52835%0.349SS..Hα-helixtrans-60.6-47.5175.7-76.4179.8-4.800112L52 G59 V60L52-Q56 HydrophobicContact CD1-CG 4.26Å; L52-Q56 WeakPolarHBondContact O-CB 3.31Å; L52-Q56 VanDerWaalsContact O-CG 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.27Å; L52-Q56 PolarHBondContact O-N 3.25Å; Q56-G59 PolarHBondContact O-N 2.89Å; Q56-V60 WeakPolarHBondContact O-CB 3.3Å; Q56-V60 VanDerWaalsContact O-CG2 3.3Å; Q56-V60 WeakPolarHBondContact O-CG2 3.09Å; Q56-V60 PolarHBondContact O-N 3.39Å
57L91.9Very high90.4Very high11 Ų1165.7 Ų65.76%0.05835%0.35CS..Hα-helixtrans-70.1-41.3-178.9-74.5167.8000112.1F19 L53 C54 V60 V61 I75 F82 I84F19-L57 HydrophobicContact CE1-CD1 3.61Å; F19-L57 HydrophobicContact CZ-CB 4.03Å; F19-L57 HydrophobicContact CZ-CD1 3.61Å; F19-L57 HydrophobicContact CZ-CG 4.47Å; L53-L57 HydrophobicContact CD1-CD1 3.81Å; L53-L57 HydrophobicContact CD1-CG 4.39Å; L53-L57 HydrophobicContact CG-CD1 4.02Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 2.9Å; L53-L57 VanDerWaalsContact O-N 3.09Å; C54-L57 PolarHBondContact O-N 3.48Å; L57-V60 PolarHBondContact O-N 3.35Å; L57-V61 WeakPolarHBondContact O-CB 3.19Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 3.28Å; L57-I75 HydrophobicContact CD2-CD1 4Å; L57-F82 HydrophobicContact CD1-CD1 3.72Å; L57-F82 HydrophobicContact CD1-CD2 4.33Å; L57-F82 HydrophobicContact CD1-CE1 3.73Å; L57-F82 HydrophobicContact CD1-CE2 4.34Å; L57-F82 HydrophobicContact CD1-CG 4.03Å; L57-F82 HydrophobicContact CD1-CZ 4.06Å; L57-F82 HydrophobicContact CD2-CB 4.42Å; L57-F82 HydrophobicContact CD2-CD2 4.26Å; L57-F82 HydrophobicContact CD2-CG 4.2Å; L57-I84 HydrophobicContact CD2-CD1 4.44Å
58A90.4Very high90.5Very high19 Ų1963.3 Ų63.316%0.15734%0.344CS..Hα-helixtrans-62-43.4174.400000111.8Y21 C54 V61 R62 L91Y21-A58 HydrophobicContact CD1-CB 4.31Å; Y21-A58 HydrophobicContact CE1-CB 4Å; C54-A58 WeakPolarHBondContact O-CB 3.39Å; C54-A58 PolarHBondContact O-N 3.49Å; A58-V61 PolarHBondContact O-N 2.95Å; A58-R62 VanDerWaalsContact O-CB 3.3Å; A58-R62 WeakPolarHBondContact O-CB 3.39Å; A58-R62 PolarHBondContact O-N 2.9Å; A58-L91 HydrophobicContact CB-CD2 3.84Å
59G90.1Very high90.4Very high41 Ų4160.1 Ų60.142%0.42334%0.339SS..Hα-helixtrans-62.8-44.117600000113.1G55 Q56 R62 C63G55-G59 PolarHBondContact O-N 3.46Å; Q56-G59 PolarHBondContact O-N 2.89Å; G59-R62 PolarHBondContact O-N 3.32Å; G59-C63 VanDerWaalsContact O-CB 3.27Å; G59-C63 WeakPolarHBondContact O-CB 3.4Å; G59-C63 PolarHBondContact O-N 3.05Å
60V92.3Very high90.4Very high66 Ų6659.6 Ų59.640%0.434%0.343SS..Hα-helixtrans-67.4-41.4176.51720000111.6Q56 L57 R62 C63 L64 I75Q56-V60 WeakPolarHBondContact O-CB 3.3Å; Q56-V60 VanDerWaalsContact O-CG2 3.3Å; Q56-V60 WeakPolarHBondContact O-CG2 3.09Å; Q56-V60 PolarHBondContact O-N 3.39Å; L57-V60 PolarHBondContact O-N 3.35Å; V60-R62 VanDerWaalsContact C-N 3.35Å; V60-C63 PolarHBondContact O-N 3.43Å; V60-L64 HydrophobicContact CG1-CD1 3.78Å; V60-L64 HydrophobicContact CG1-CG 4.43Å; V60-L64 WeakPolarHBondContact O-CB 3.41Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.05Å; V60-I75 HydrophobicContact CB-CD1 4.38Å; V60-I75 HydrophobicContact CG1-CD1 3.67Å
61V91.5Very high90.2Very high10 Ų1060.6 Ų60.66%0.06135%0.351CS..Hα-helixtrans-60.8-44.4174.2167.40000111L57 A58 L64 W65 P72 I84 V86 L91L57-V61 WeakPolarHBondContact O-CB 3.19Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 3.28Å; A58-V61 PolarHBondContact O-N 2.95Å; V61-L64 PolarHBondContact O-N 3.18Å; V61-W65 WeakPolarHBondContact O-CB 3.49Å; V61-W65 PolarHBondContact O-N 3.09Å; V61-P72 HydrophobicContact CB-CG 4.48Å; V61-P72 HydrophobicContact CG2-CG 3.94Å; V61-I84 HydrophobicContact CG2-CD1 3.67Å; V61-I84 HydrophobicContact CG2-CG2 3.9Å; V61-V86 HydrophobicContact CG1-CG2 3.91Å; V61-L91 HydrophobicContact CG1-CD1 4.21Å; V61-L91 HydrophobicContact CG2-CD1 4.16Å
62R88.7Confident90.3Very high104 Ų10460.2 Ų60.239%0.39235%0.351SS..Hα-helixtrans-64.9-46.3178.2-176.767.8-148.2-178.8-0.3112A58 G59 V60 L64 W65 D66 F489A58-R62 VanDerWaalsContact O-CB 3.3Å; A58-R62 WeakPolarHBondContact O-CB 3.39Å; A58-R62 PolarHBondContact O-N 2.9Å; G59-R62 PolarHBondContact O-N 3.32Å; V60-R62 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 2.69Å; R62-W65 WeakPolarHBondContact O-CB 3.41Å; R62-W65 PolarHBondContact O-N 3.5Å; R62-D66 IonicContact CZ-OD1 3.39Å; R62-D66 VanDerWaalsContact CZ-OD1 3.29Å; R62-D66 IonicContact CZ-OD2 2.68Å; R62-D66 IonicContact NE-OD1 3.4Å; R62-D66 IonicContact NE-OD2 2.77Å; R62-D66 PolarHBondContact NE-OD2 3.48Å; R62-D66 VanDerWaalsContact NH2-CG 3.3Å; R62-D66 IonicContact NH2-OD1 3.97Å; R62-D66 PolarHBondContact NH2-OD1 3.13Å; R62-D66 IonicContact NH2-OD2 3.69Å; R62-D66 PolarHBondContact NH2-OD2 2.72Å; R62-D66 VanDerWaalsContact NH2-OD2 3.13Å; R62-D66 PolarHBondContact O-N 3.37Å; R62-F489 VanDerWaalsContact NH1-CE1 3.31Å
63C90.9Very high90.3Very high69 Ų6958.7 Ų58.747%0.46635%0.346SS..Hα-helixtrans-58.8-46.7176.3-177.70000111.7G59 V60 W65 D66 L67G59-C63 VanDerWaalsContact O-CB 3.27Å; G59-C63 WeakPolarHBondContact O-CB 3.4Å; G59-C63 PolarHBondContact O-N 3.05Å; V60-C63 PolarHBondContact O-N 3.43Å; C63-W65 VanDerWaalsContact C-N 3.35Å; C63-W65 PolarHBondContact O-N 2.9Å; C63-D66 PolarHBondContact O-N 2.86Å; C63-L67 WeakPolarHBondContact O-CB 3.47Å; C63-L67 VanDerWaalsContact O-CG 3.26Å; C63-L67 WeakPolarHBondContact O-CG 3.34Å; C63-L67 PolarHBondContact O-N 2.79Å
64L91Very high90.3Very high70 Ų7059.3 Ų59.337%0.36635%0.349SS..Hα-helixtrans-69.6-30.5178.1-70.7171.2000113V60 V61 R62 S68 P72V60-L64 HydrophobicContact CG1-CD1 3.78Å; V60-L64 HydrophobicContact CG1-CG 4.43Å; V60-L64 WeakPolarHBondContact O-CB 3.41Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.05Å; V61-L64 PolarHBondContact O-N 3.18Å; R62-L64 PolarHBondContact O-N 2.69Å; L64-S68 VanDerWaalsContact O-CB 3.31Å; L64-S68 WeakPolarHBondContact O-CB 3.36Å; L64-S68 PolarHBondContact O-N 2.57Å; L64-S68 PolarHBondContact O-OG 3.1Å; L64-P72 HydrophobicContact CB-CG 4.22Å; L64-P72 HydrophobicContact CD1-CB 4Å; L64-P72 HydrophobicContact CD1-CG 3.88Å
65W88.6Confident90.3Very high100 Ų10060.5 Ų60.538%0.37936%0.355SS..Hα-helixtrans-62.2-51.6168.5-174.9-66.8000111V61 R62 C63 L67 S68 G69 T70 P71 V86V61-W65 WeakPolarHBondContact O-CB 3.49Å; V61-W65 PolarHBondContact O-N 3.09Å; R62-W65 WeakPolarHBondContact O-CB 3.41Å; R62-W65 PolarHBondContact O-N 3.5Å; C63-W65 VanDerWaalsContact C-N 3.35Å; C63-W65 PolarHBondContact O-N 2.9Å; W65-L67 VanDerWaalsContact C-N 3.26Å; W65-L67 PolarHBondContact O-N 3.14Å; W65-S68 PolarHBondContact O-N 3.46Å; W65-G69 VanDerWaalsContact O-CA 3.3Å; W65-G69 WeakPolarHBondContact O-CA 3.31Å; W65-G69 PolarHBondContact O-N 3.06Å; W65-T70 WeakPolarHBondContact CA-O 3.48Å; W65-P71 HydrophobicContact CE3-CB 3.82Å; W65-P71 HydrophobicContact CE3-CG 4.05Å; W65-P71 HydrophobicContact CZ3-CB 4.03Å; W65-P71 HydrophobicContact CZ3-CG 3.79Å; W65-V86 HydrophobicContact CZ3-CG1 4.35Å
66D89.9Confident90.3Very high99 Ų9966.5 Ų66.553%0.52937%0.37SS..Hα-helixtrans-68.8-24.1-176.5-71.4-32.5000113.1R62 C63R62-D66 IonicContact CZ-OD1 3.39Å; R62-D66 VanDerWaalsContact CZ-OD1 3.29Å; R62-D66 IonicContact CZ-OD2 2.68Å; R62-D66 IonicContact NE-OD1 3.4Å; R62-D66 IonicContact NE-OD2 2.77Å; R62-D66 PolarHBondContact NE-OD2 3.48Å; R62-D66 VanDerWaalsContact NH2-CG 3.3Å; R62-D66 IonicContact NH2-OD1 3.97Å; R62-D66 PolarHBondContact NH2-OD1 3.13Å; R62-D66 IonicContact NH2-OD2 3.69Å; R62-D66 PolarHBondContact NH2-OD2 2.72Å; R62-D66 VanDerWaalsContact NH2-OD2 3.13Å; R62-D66 PolarHBondContact O-N 3.37Å; C63-D66 PolarHBondContact O-N 2.86Å
67L91.2Very high90.2Very high135 Ų13565.3 Ų65.371%0.70737%0.367SS*.Hα-helixtrans-84.3-30.8174-70.8171000114.5C63 W65C63-L67 WeakPolarHBondContact O-CB 3.47Å; C63-L67 VanDerWaalsContact O-CG 3.26Å; C63-L67 WeakPolarHBondContact O-CG 3.34Å; C63-L67 PolarHBondContact O-N 2.79Å; W65-L67 VanDerWaalsContact C-N 3.26Å; W65-L67 PolarHBondContact O-N 3.14Å
68S89.6Confident89.9Confident72 Ų7276.8 Ų76.850%0.50341%0.41SS..Hα-helixtrans-118.6-12.6-170.975.60000115.6L64 W65 T70L64-S68 VanDerWaalsContact O-CB 3.31Å; L64-S68 WeakPolarHBondContact O-CB 3.36Å; L64-S68 PolarHBondContact O-N 2.57Å; L64-S68 PolarHBondContact O-OG 3.1Å; W65-S68 PolarHBondContact O-N 3.46Å; S68-T70 PolarHBondContact O-N 3.41Å; S68-T70 PolarHBondContact OG-N 3.39Å; S68-T70 PolarHBondContact OG-O 2.79Å; S68-T70 PolarHBondContact OG-OG1 3.21Å; S68-T70 VanDerWaalsContact OG-OG1 3.14Å
69G87Confident89.6Confident52 Ų5284.5 Ų84.554%0.53644%0.44SS..SBendtrans74.93.7-169.900000114.7W65W65-G69 VanDerWaalsContact O-CA 3.3Å; W65-G69 WeakPolarHBondContact O-CA 3.31Å; W65-G69 PolarHBondContact O-N 3.06Å
70T87.8Confident89.5Confident83 Ų8384.1 Ų84.151%0.50943%0.428SS..SBendtrans-141.2150.6-176.456.70000112.6W65 S68W65-T70 WeakPolarHBondContact CA-O 3.48Å; S68-T70 PolarHBondContact O-N 3.41Å; S68-T70 PolarHBondContact OG-N 3.39Å; S68-T70 PolarHBondContact OG-O 2.79Å; S68-T70 PolarHBondContact OG-OG1 3.21Å; S68-T70 VanDerWaalsContact OG-OG1 3.14Å
71P88.3Confident89.5Confident42 Ų4281.3 Ų81.327%0.27341%0.411SS..  trans-75143.6174.830.4-31000110.8W65 T73 V86W65-P71 HydrophobicContact CE3-CB 3.82Å; W65-P71 HydrophobicContact CE3-CG 4.05Å; W65-P71 HydrophobicContact CZ3-CB 4.03Å; W65-P71 HydrophobicContact CZ3-CG 3.79Å; P71-T73 PolarHBondContact O-N 3.48Å; P71-V86 HydrophobicContact CB-CB 4.29Å; P71-V86 HydrophobicContact CB-CG2 3.75Å; P71-V86 HydrophobicContact CG-CB 4.46Å; P71-V86 HydrophobicContact CG-CG2 4.43Å
72P92.1Very high89.6Confident23 Ų2380.9 Ų80.915%0.14941%0.408CS..  trans-66.1128.5169.230-35.1000109.7V61 L64 L74 I75 I84V61-P72 HydrophobicContact CB-CG 4.48Å; V61-P72 HydrophobicContact CG2-CG 3.94Å; L64-P72 HydrophobicContact CB-CG 4.22Å; L64-P72 HydrophobicContact CD1-CB 4Å; L64-P72 HydrophobicContact CD1-CG 3.88Å; P72-L74 VanDerWaalsContact C-N 3.33Å; P72-I75 HydrophobicContact CB-CG1 4.43Å; P72-I75 HydrophobicContact CG-CD1 4.41Å; P72-I75 HydrophobicContact CG-CG1 4.47Å; P72-I84 WeakPolarHBondContact O-CB 3.23Å
73T90.4Very high89.8Confident69 Ų6976 Ų7642%0.42339%0.389SS..SBendtrans-81.7-14.1176.261.70000113.4P71 I84P71-T73 PolarHBondContact O-N 3.48Å; T73-I84 PolarHBondContact O-N 2.74Å
74L91.6Very high89.9Confident43 Ų4372.8 Ų72.823%0.22537%0.368CS..EExtended strand (participates in β ladder)trans-153.3136.6-179-168.681.8000110.4P72 F82 A83 D102P72-L74 VanDerWaalsContact C-N 3.33Å; L74-F82 CarbonylContact C-O 3.51Å; L74-F82 VanDerWaalsContact CA-O 3.29Å; L74-F82 WeakPolarHBondContact CA-O 3.37Å; L74-A83 HydrophobicContact CD1-CB 4.4Å; L74-D102 HydrophobicContact CD2-CB 3.74Å
75I91.8Very high90Very high25 Ų2573.4 Ų73.413%0.12837%0.365CS..EExtended strand (participates in β ladder)trans-120.2125.6167-63.1178.9000108.3L57 V60 P72 L77 K81 F82 I84L57-I75 HydrophobicContact CD2-CD1 4Å; V60-I75 HydrophobicContact CB-CD1 4.38Å; V60-I75 HydrophobicContact CG1-CD1 3.67Å; P72-I75 HydrophobicContact CB-CG1 4.43Å; P72-I75 HydrophobicContact CG-CD1 4.41Å; P72-I75 HydrophobicContact CG-CG1 4.47Å; I75-L77 HydrophobicContact CG2-CD2 4.12Å; I75-K81 CarbonylContact O-C 3.55Å; I75-F82 HydrophobicContact CB-CB 4.44Å; I75-F82 PolarHBondContact N-O 3.14Å; I75-F82 PolarHBondContact O-N 2.82Å; I75-I84 HydrophobicContact CB-CD1 4.48Å; I75-I84 HydrophobicContact CD1-CD1 3.53Å; I75-I84 HydrophobicContact CG1-CD1 3.84Å
76R90.4Very high90Very high150 Ų15070.8 Ų70.857%0.56636%0.36SS*.EExtended strand (participates in β ladder)trans-110.7118.4-176.5-174.9162.7-179.9154.5-6.8111.2K81 D102R76-K81 HydrophobicContact CG-CG 4.26Å; R76-D102 IonicContact NH1-OD1 2.97Å; R76-D102 PolarHBondContact NH1-OD1 2.84Å; R76-D102 IonicContact NH1-OD2 3.04Å; R76-D102 PolarHBondContact NH1-OD2 2.72Å
77L88.9Confident89.8Confident88 Ų8867.3 Ų67.346%0.46134%0.342SS..  trans-103.9173.3177.1-52.8-178.7000110.6I75 K79 L80 F82I75-L77 HydrophobicContact CG2-CD2 4.12Å; L77-K79 VanDerWaalsContact C-N 3.28Å; L77-K79 PolarHBondContact O-N 2.91Å; L77-L80 CarbonylContact C-O 3.59Å; L77-L80 WeakPolarHBondContact CA-O 3.31Å; L77-L80 WeakPolarHBondContact CB-O 3.43Å; L77-L80 PolarHBondContact N-O 2.8Å; L77-F82 HydrophobicContact CD1-CD2 4.14Å; L77-F82 HydrophobicContact CD1-CE2 3.84Å
78R85.3Confident89.4Confident252 Ų25263.7 Ų63.795%0.95134%0.336SS*.SBendtrans-60.9-30.9-178.9-64-177.8-177.2169.51.8114.2
79K83.8Confident89.3Confident182 Ų18264 Ų6479%0.79133%0.332SS*.SBendtrans-123.9-10.1-174.9-65.9-179.8179.1174.60114.2L77L77-K79 VanDerWaalsContact C-N 3.28Å; L77-K79 PolarHBondContact O-N 2.91Å
80L88.7Confident89.4Confident33 Ų3363 Ų6317%0.17331%0.313CS..EExtended strand (participates in β ladder)trans-146.5160.5-171.4-70.2172.8000111N16 Y17 L77 F82N16-L80 HydrophobicContact CB-CD2 3.83Å; Y17-L80 HydrophobicContact CD2-CD1 4.2Å; Y17-L80 HydrophobicContact CE2-CD1 3.82Å; L77-L80 CarbonylContact C-O 3.59Å; L77-L80 WeakPolarHBondContact CA-O 3.31Å; L77-L80 WeakPolarHBondContact CB-O 3.43Å; L77-L80 PolarHBondContact N-O 2.8Å; L80-F82 HydrophobicContact CB-CE2 4.4Å
81K91.9Very high89.6Confident7 Ų759.7 Ų59.73%0.0329%0.292CS..EExtended strand (participates in β ladder)trans-126.9135171.8-61.8172.1179.9178.60108.6I75 R76 G95 C96 V98 L100 D102I75-K81 CarbonylContact O-C 3.55Å; R76-K81 HydrophobicContact CG-CG 4.26Å; K81-G95 CarbonylContact O-C 3.59Å; K81-G95 WeakPolarHBondContact O-CA 3.46Å; K81-C96 PolarHBondContact N-O 2.88Å; K81-C96 PolarHBondContact O-N 3.48Å; K81-V98 VanDerWaalsContact CE-O 3.31Å; K81-V98 WeakPolarHBondContact CE-O 3.48Å; K81-V98 PolarHBondContact NZ-O 2.8Å; K81-L100 PolarHBondContact NZ-O 3.37Å; K81-D102 VanDerWaalsContact CD-OD1 3.31Å; K81-D102 WeakPolarHBondContact CD-OD1 3.19Å; K81-D102 WeakPolarHBondContact CE-OD1 3.35Å; K81-D102 IonicContact NZ-OD1 2.67Å; K81-D102 PolarHBondContact NZ-OD1 2.85Å
82F92.8Very high89.9Confident1 Ų157.7 Ų57.70%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-108.4112.7171.1-73-87000109.3Y17 L53 L57 L74 I75 L77 L80 I84 L94Y17-F82 HydrophobicContact CD2-CE1 4.4Å; Y17-F82 HydrophobicContact CD2-CZ 4.09Å; L53-F82 HydrophobicContact CD1-CZ 4.01Å; L53-F82 HydrophobicContact CD2-CE1 4.47Å; L53-F82 HydrophobicContact CD2-CZ 4.24Å; L57-F82 HydrophobicContact CD1-CD1 3.72Å; L57-F82 HydrophobicContact CD1-CD2 4.33Å; L57-F82 HydrophobicContact CD1-CE1 3.73Å; L57-F82 HydrophobicContact CD1-CE2 4.34Å; L57-F82 HydrophobicContact CD1-CG 4.03Å; L57-F82 HydrophobicContact CD1-CZ 4.06Å; L57-F82 HydrophobicContact CD2-CB 4.42Å; L57-F82 HydrophobicContact CD2-CD2 4.26Å; L57-F82 HydrophobicContact CD2-CG 4.2Å; L74-F82 CarbonylContact C-O 3.51Å; L74-F82 VanDerWaalsContact CA-O 3.29Å; L74-F82 WeakPolarHBondContact CA-O 3.37Å; I75-F82 HydrophobicContact CB-CB 4.44Å; I75-F82 PolarHBondContact N-O 3.14Å; I75-F82 PolarHBondContact O-N 2.82Å; L77-F82 HydrophobicContact CD1-CD2 4.14Å; L77-F82 HydrophobicContact CD1-CE2 3.84Å; L80-F82 HydrophobicContact CB-CE2 4.4Å; F82-I84 HydrophobicContact CB-CD1 4.42Å; F82-I84 HydrophobicContact CB-CG1 4.31Å; F82-L94 CarbonylContact C-O 3.51Å; F82-L94 VanDerWaalsContact CA-O 3.27Å; F82-L94 WeakPolarHBondContact CA-O 3.48Å
83A93.4Very high89.9Confident0 Ų056.6 Ų56.60%027%0.272CS..EExtended strand (participates in β ladder)trans-76.5139.7161.800000108.3L74 A93 L94 C105 R106 L109L74-A83 HydrophobicContact CD1-CB 4.4Å; A83-A93 WeakPolarHBondContact O-CA 3.42Å; A83-L94 HydrophobicContact CB-CB 4.46Å; A83-L94 PolarHBondContact N-O 2.85Å; A83-L94 PolarHBondContact O-N 2.89Å; A83-C105 HydrophobicContact CB-CB 4.28Å; A83-C105 WeakPolarHBondContact CB-O 3.48Å; A83-R106 HydrophobicContact CB-CG 4.2Å; A83-L109 VanDerWaalsContact C-CD2 3.47Å; A83-L109 HydrophobicContact CB-CB 4.29Å; A83-L109 HydrophobicContact CB-CD2 3.9Å; A83-L109 WeakPolarHBondContact O-CD2 3.11Å
84I93.8Very high90Very high3 Ų353.3 Ų53.32%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-136.8137.8-171.6-63.6-178.8000110.6L57 V61 P72 T73 I75 F82 L91 W92 A93L57-I84 HydrophobicContact CD2-CD1 4.44Å; V61-I84 HydrophobicContact CG2-CD1 3.67Å; V61-I84 HydrophobicContact CG2-CG2 3.9Å; P72-I84 WeakPolarHBondContact O-CB 3.23Å; T73-I84 PolarHBondContact O-N 2.74Å; I75-I84 HydrophobicContact CB-CD1 4.48Å; I75-I84 HydrophobicContact CD1-CD1 3.53Å; I75-I84 HydrophobicContact CG1-CD1 3.84Å; F82-I84 HydrophobicContact CB-CD1 4.42Å; F82-I84 HydrophobicContact CB-CG1 4.31Å; I84-L91 HydrophobicContact CG2-CD1 3.6Å; I84-W92 WeakPolarHBondContact CA-O 3.5Å; I84-A93 HydrophobicContact CG1-CB 4.48Å
85R92.5Very high89.9Confident82 Ų8251.3 Ų51.331%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-135.1138.7171-66-70.1-67.1-126.40.8109.2W92 L109 D110 I113R85-W92 HydrophobicContact CB-CB 4.3Å; R85-W92 PolarHBondContact N-O 3.19Å; R85-W92 PolarHBondContact O-N 2.95Å; R85-L109 HydrophobicContact CB-CD2 4.32Å; R85-L109 HydrophobicContact CG-CD2 3.81Å; R85-L109 HydrophobicContact CG-CG 4.04Å; R85-D110 WeakPolarHBondContact CD-OD1 3.35Å; R85-D110 WeakPolarHBondContact CG-OD1 3.49Å; R85-D110 IonicContact CZ-OD1 2.88Å; R85-D110 IonicContact CZ-OD2 3.79Å; R85-D110 IonicContact NE-OD1 2.66Å; R85-D110 PolarHBondContact NE-OD1 2.82Å; R85-D110 IonicContact NH1-OD1 3.71Å; R85-D110 PolarHBondContact NH1-OD1 2.91Å; R85-D110 IonicContact NH1-OD2 3.02Å; R85-D110 PolarHBondContact NH1-OD2 3.37Å; R85-I113 HydrophobicContact CB-CD1 3.6Å; R85-I113 HydrophobicContact CG-CD1 3.73Å
86V89.1Confident89.7Confident46 Ų4650.1 Ų50.128%0.27924%0.235SC..EExtended strand (participates in β ladder)trans-112.9132.9172.7-179.70000107.8V61 W65 P71 Y90 L91V61-V86 HydrophobicContact CG1-CG2 3.91Å; W65-V86 HydrophobicContact CZ3-CG1 4.35Å; P71-V86 HydrophobicContact CB-CB 4.29Å; P71-V86 HydrophobicContact CB-CG2 3.75Å; P71-V86 HydrophobicContact CG-CB 4.46Å; P71-V86 HydrophobicContact CG-CG2 4.43Å; V86-Y90 WeakPolarHBondContact CA-O 3.47Å; V86-L91 HydrophobicContact CG2-CD1 4.01Å
87D84.6Confident89.5Confident26 Ų2643.8 Ų43.814%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-138.197.1-179.4-170.932.3000109.6D89 Y90 H117 Y497D87-D89 PolarHBondContact O-N 3.03Å; D87-Y90 PolarHBondContact N-O 2.75Å; D87-Y90 WeakPolarHBondContact O-CB 3.29Å; D87-Y90 PolarHBondContact O-N 2.8Å; D87-H117 IonicContact OD2-CE1 2.75Å; D87-H117 PolarHBondContact OD2-CE1 3.36Å; D87-H117 IonicContact OD2-NE2 3.5Å; D87-Y497 WeakPolarHBondContact OD2-CD2 3.49Å
88G83.3Confident89Confident58 Ų5842.2 Ų42.260%0.59821%0.21SC*.THydrogen-bonded Turntrans60.6-126.3-168.300000111.9Y90G88-Y90 VanDerWaalsContact C-N 3.28Å
89D86.7Confident88.6Confident78 Ų7836.1 Ų36.142%0.41719%0.192SC..THydrogen-bonded Turntrans-79.1-5.4174.8-74-33.1000113.3G23 S24 D87G23-D89 PolarHBondContact N-O 3.22Å; S24-D89 WeakPolarHBondContact CB-OD2 3.25Å; D87-D89 PolarHBondContact O-N 3.03Å
90Y90.3Very high88.4Confident33 Ų3328.4 Ų28.413%0.12916%0.16CC..EExtended strand (participates in β ladder)trans-94.9133.6-176.2-61-75.2000112.9L20 Y21 D22 V86 D87 G88 V123L20-Y90 HydrophobicContact CD1-CD1 4.24Å; Y21-Y90 CarbonylContact O-C 3.54Å; Y21-Y90 WeakPolarHBondContact O-CA 3.37Å; D22-Y90 HydrophobicContact CB-CD1 3.99Å; D22-Y90 HydrophobicContact CB-CE1 3.75Å; D22-Y90 VanDerWaalsContact CG-CE1 3.43Å; D22-Y90 WeakPolarHBondContact OD2-CE1 3.49Å; V86-Y90 WeakPolarHBondContact CA-O 3.47Å; D87-Y90 PolarHBondContact N-O 2.75Å; D87-Y90 WeakPolarHBondContact O-CB 3.29Å; D87-Y90 PolarHBondContact O-N 2.8Å; G88-Y90 VanDerWaalsContact C-N 3.28Å; Y90-V123 HydrophobicContact CD1-CB 4.41Å; Y90-V123 HydrophobicContact CD1-CG1 3.7Å; Y90-V123 HydrophobicContact CD2-CB 3.89Å; Y90-V123 HydrophobicContact CD2-CG1 4.08Å; Y90-V123 HydrophobicContact CD2-CG2 4.39Å; Y90-V123 HydrophobicContact CE1-CB 4.38Å; Y90-V123 HydrophobicContact CE1-CG1 3.61Å; Y90-V123 HydrophobicContact CE2-CB 3.87Å; Y90-V123 HydrophobicContact CE2-CG1 4.01Å; Y90-V123 HydrophobicContact CG-CB 4.18Å; Y90-V123 HydrophobicContact CG-CG1 3.95Å; Y90-V123 HydrophobicContact CG-CG2 4.49Å
91L92.3Very high88.2Confident12 Ų1227 Ų276%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-110.1118.5174.3170.764000109.4Y21 A58 V61 I84 V86Y21-L91 HydrophobicContact CD1-CB 4.35Å; Y21-L91 HydrophobicContact CD1-CD2 4.37Å; Y21-L91 PolarHBondContact N-O 3.03Å; Y21-L91 PolarHBondContact O-N 2.98Å; A58-L91 HydrophobicContact CB-CD2 3.84Å; V61-L91 HydrophobicContact CG1-CD1 4.21Å; V61-L91 HydrophobicContact CG2-CD1 4.16Å; I84-L91 HydrophobicContact CG2-CD1 3.6Å; V86-L91 HydrophobicContact CG2-CD1 4.01Å
92W93.4Very high87.9Confident0 Ų028.7 Ų28.70%016%0.162CC..EExtended strand (participates in β ladder)trans-101.7129.9172.2-58.788.5000109.7F18 L20 I84 R85 L109 I113 F116 V123 W139F18-W92 HydrophobicContact CE2-CE3 4.14Å; F18-W92 AromaticContact CZ-CE3 3.87Å; F18-W92 HydrophobicContact CZ-CE3 3.87Å; F18-W92 AromaticContact CZ-CZ3 3.91Å; F18-W92 HydrophobicContact CZ-CZ3 3.91Å; L20-W92 HydrophobicContact CB-CE3 4.3Å; L20-W92 HydrophobicContact CB-CZ3 4.39Å; L20-W92 HydrophobicContact CD1-CD2 3.73Å; L20-W92 HydrophobicContact CD1-CE3 3.93Å; L20-W92 HydrophobicContact CD1-CG 4.25Å; L20-W92 HydrophobicContact CD1-CH2 4.33Å; L20-W92 HydrophobicContact CD1-CZ2 4.15Å; L20-W92 HydrophobicContact CD1-CZ3 4.21Å; L20-W92 HydrophobicContact CD2-CH2 4.07Å; L20-W92 HydrophobicContact CD2-CZ2 4.5Å; L20-W92 HydrophobicContact CD2-CZ3 4.12Å; L20-W92 HydrophobicContact CG-CZ3 4.48Å; I84-W92 WeakPolarHBondContact CA-O 3.5Å; R85-W92 HydrophobicContact CB-CB 4.3Å; R85-W92 PolarHBondContact N-O 3.19Å; R85-W92 PolarHBondContact O-N 2.95Å; W92-L109 HydrophobicContact CB-CD1 4.2Å; W92-I113 HydrophobicContact CB-CD1 3.93Å; W92-I113 HydrophobicContact CB-CG1 4.39Å; W92-I113 HydrophobicContact CD2-CD1 4.05Å; W92-I113 HydrophobicContact CD2-CG1 3.66Å; W92-I113 HydrophobicContact CE3-CG1 3.99Å; W92-I113 HydrophobicContact CG-CD1 3.71Å; W92-I113 HydrophobicContact CG-CG1 3.89Å; W92-I113 HydrophobicContact CZ2-CG1 4.28Å; W92-I113 HydrophobicContact CZ2-CG2 4.24Å; W92-I113 HydrophobicContact CZ3-CG1 4.45Å; W92-F116 HydrophobicContact CH2-CB 4.12Å; W92-F116 AromaticContact CH2-CD1 3.72Å; W92-F116 HydrophobicContact CH2-CD1 3.72Å; W92-F116 HydrophobicContact CH2-CE1 4.31Å; W92-F116 AromaticContact CH2-CG 3.87Å; W92-F116 HydrophobicContact CH2-CG 3.87Å; W92-F116 HydrophobicContact CZ2-CD1 4.2Å; W92-V123 HydrophobicContact CH2-CG2 4.29Å; W92-V123 HydrophobicContact CZ2-CG2 3.51Å; W92-W139 HydrophobicContact CH2-CZ2 4.04Å; W92-W139 HydrophobicContact CZ3-CH2 4.04Å; W92-W139 AromaticContact CZ3-CZ2 3.66Å; W92-W139 HydrophobicContact CZ3-CZ2 3.66Å
93A93.6Very high87.5Confident1 Ų129.6 Ų29.61%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-135.2133.7177.100000111.8F18 F19 A83 I84F18-A93 CarbonylContact C-O 3.59Å; F18-A93 VanDerWaalsContact CA-O 3.3Å; F18-A93 WeakPolarHBondContact CA-O 3.43Å; F18-A93 WeakPolarHBondContact CD2-O 3.48Å; F19-A93 HydrophobicContact CD1-CB 4.1Å; F19-A93 HydrophobicContact CD2-CB 4.16Å; F19-A93 HydrophobicContact CE1-CB 3.63Å; F19-A93 HydrophobicContact CE2-CB 3.7Å; F19-A93 HydrophobicContact CG-CB 4.35Å; F19-A93 HydrophobicContact CZ-CB 3.42Å; F19-A93 VanDerWaalsContact CZ-CB 3.42Å; F19-A93 PolarHBondContact N-O 2.94Å; F19-A93 PolarHBondContact O-N 3.38Å; A83-A93 WeakPolarHBondContact O-CA 3.42Å; I84-A93 HydrophobicContact CG1-CB 4.48Å
94L91.6Very high87Confident0 Ų029.7 Ų29.70%017%0.169CC..EExtended strand (participates in β ladder)trans-123.7112.7177.8172.673.3000109.9W15 F18 F82 A83 F108 L109 L112W15-L94 HydrophobicContact CD2-CD1 4.17Å; W15-L94 HydrophobicContact CG-CD1 4.31Å; W15-L94 HydrophobicContact CZ2-CD1 4.03Å; F18-L94 HydrophobicContact CB-CD1 4.11Å; F18-L94 HydrophobicContact CD2-CB 4.24Å; F18-L94 HydrophobicContact CD2-CD1 4.19Å; F82-L94 CarbonylContact C-O 3.51Å; F82-L94 VanDerWaalsContact CA-O 3.27Å; F82-L94 WeakPolarHBondContact CA-O 3.48Å; A83-L94 HydrophobicContact CB-CB 4.46Å; A83-L94 PolarHBondContact N-O 2.85Å; A83-L94 PolarHBondContact O-N 2.89Å; L94-F108 HydrophobicContact CD1-CE1 4.47Å; L94-F108 HydrophobicContact CD2-CD1 3.6Å; L94-F108 HydrophobicContact CD2-CE1 4.17Å; L94-L109 HydrophobicContact CB-CB 4.32Å; L94-L109 HydrophobicContact CB-CD1 4.11Å; L94-L109 HydrophobicContact CB-CD2 4.3Å; L94-L109 HydrophobicContact CB-CG 4.48Å; L94-L109 HydrophobicContact CD2-CB 4.06Å; L94-L112 HydrophobicContact CD1-CD1 4.19Å
95G90.3Very high86.6Confident0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-88.1104.9176.500000112.1N16 Y17 K81N16-G95 WeakPolarHBondContact CA-O 3.06Å; N16-G95 PolarHBondContact N-O 2.87Å; Y17-G95 PolarHBondContact N-O 2.96Å; Y17-G95 VanDerWaalsContact N-O 3.09Å; Y17-G95 PolarHBondContact O-N 3.25Å; K81-G95 CarbonylContact O-C 3.59Å; K81-G95 WeakPolarHBondContact O-CA 3.46Å
96C87.4Confident86.4Confident1 Ų130.1 Ų30.11%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-103155.3176-70.10000113.2W14 K81 C105W14-C96 CarbonylContact O-C 3.37Å; W14-C96 WeakPolarHBondContact O-CA 3.39Å; K81-C96 PolarHBondContact N-O 2.88Å; K81-C96 PolarHBondContact O-N 3.48Å; C96-C105 VanDerWaalsContact CB-SG 3.58Å
97G85.1Confident86.1Confident16 Ų1631.6 Ų31.617%0.16517%0.174CC..EExtended strand (participates in β ladder)trans-68.5154.9169.700000112.3W14 N16 E99 L100W14-G97 PolarHBondContact O-N 2.98Å; N16-G97 PolarHBondContact ND2-N 3.32Å; G97-E99 PolarHBondContact O-N 3.09Å; G97-E99 VanDerWaalsContact O-N 3.15Å; G97-L100 PolarHBondContact O-N 2.88Å
98V80.1Confident86.1Confident55 Ų5531.1 Ų31.133%0.33317%0.171SC..THydrogen-bonded Turntrans-64.4-20.4-173.3-69.20000115.1K81 L100K81-V98 VanDerWaalsContact CE-O 3.31Å; K81-V98 WeakPolarHBondContact CE-O 3.48Å; K81-V98 PolarHBondContact NZ-O 2.8Å; V98-L100 PolarHBondContact O-N 3.4Å
99E76.3Confident86.3Confident124 Ų12428.4 Ų28.458%0.57914%0.143SC*.THydrogen-bonded Turntrans-68.4-24.8-177.8-62.9-61.7116.200114.4G97 Q593 N596G97-E99 PolarHBondContact O-N 3.09Å; G97-E99 VanDerWaalsContact O-N 3.15Å; E99-Q593 PolarHBondContact OE2-NE2 3.16Å; E99-N596 PolarHBondContact O-ND2 3.44Å
100L79.7Confident86.3Confident20 Ų2027 Ų2711%0.10514%0.135CC..SBendtrans-83.5150.4179-72177.4000111.9W14 K81 G97 V98 R155W14-L100 HydrophobicContact CB-CD1 3.94Å; W14-L100 HydrophobicContact CB-CG 4.49Å; W14-L100 HydrophobicContact CD2-CD1 4.07Å; W14-L100 HydrophobicContact CE3-CD1 3.4Å; W14-L100 VanDerWaalsContact CE3-CD1 3.4Å; W14-L100 HydrophobicContact CG-CD1 4.33Å; W14-L100 HydrophobicContact CZ3-CD1 4.18Å; K81-L100 PolarHBondContact NZ-O 3.37Å; G97-L100 PolarHBondContact O-N 2.88Å; V98-L100 PolarHBondContact O-N 3.4Å; L100-R155 HydrophobicContact CD2-CB 3.97Å
101S83.1Confident85.9Confident3 Ų328.5 Ų28.52%0.02114%0.143CC..  trans-69.3154.9-179.686.50000113.5V103 S104 C105 N596 S600S101-V103 PolarHBondContact O-N 2.83Å; S101-V103 PolarHBondContact OG-N 2.77Å; S101-S104 PolarHBondContact O-N 3.01Å; S101-S104 WeakPolarHBondContact OG-CB 3.3Å; S101-S104 PolarHBondContact OG-N 3.07Å; S101-S104 PolarHBondContact OG-OG 3.44Å; S101-C105 PolarHBondContact O-N 3.42Å; S101-C105 VanDerWaalsContact O-N 3.15Å; S101-C105 PolarHBondContact O-SG 2.9Å; S101-N596 WeakPolarHBondContact CB-OD1 3.33Å; S101-N596 PolarHBondContact N-ND2 2.96Å; S101-N596 PolarHBondContact N-OD1 2.77Å; S101-S600 WeakPolarHBondContact CB-OG 3.45Å
102D87Confident85.5Confident44 Ų4428 Ų2824%0.23514%0.14CC..THydrogen-bonded Turntrans-71.6-8.5177.6-63.58.3000111.4L74 R76 K81 R106L74-D102 HydrophobicContact CD2-CB 3.74Å; R76-D102 IonicContact NH1-OD1 2.97Å; R76-D102 PolarHBondContact NH1-OD1 2.84Å; R76-D102 IonicContact NH1-OD2 3.04Å; R76-D102 PolarHBondContact NH1-OD2 2.72Å; K81-D102 VanDerWaalsContact CD-OD1 3.31Å; K81-D102 WeakPolarHBondContact CD-OD1 3.19Å; K81-D102 WeakPolarHBondContact CE-OD1 3.35Å; K81-D102 IonicContact NZ-OD1 2.67Å; K81-D102 PolarHBondContact NZ-OD1 2.85Å; D102-R106 PolarHBondContact O-NE 3.15Å; D102-R106 PolarHBondContact O-NH2 3.19Å
103V84.1Confident85.2Confident20 Ų2028 Ų2812%0.12114%0.141CC..THydrogen-bonded Turntrans-93.2-51.9172.9176.40000110.4S101 C105 R106 Q107 A603S101-V103 PolarHBondContact O-N 2.83Å; S101-V103 PolarHBondContact OG-N 2.77Å; V103-C105 VanDerWaalsContact C-N 3.3Å; V103-C105 PolarHBondContact O-N 2.79Å; V103-R106 PolarHBondContact O-N 2.84Å; V103-R106 VanDerWaalsContact O-N 3.07Å; V103-Q107 HydrophobicContact CG1-CG 4.37Å; V103-Q107 PolarHBondContact O-N 3.27Å; V103-A603 HydrophobicContact CB-CB 4.46Å; V103-A603 HydrophobicContact CG1-CB 4.17Å; V103-A603 HydrophobicContact CG2-CB 3.85Å
104S82.9Confident84.7Confident2 Ų228.3 Ų28.31%0.01414%0.144CC..Hα-helixtrans-56.6-43.2-179.4-43.10000111.3S101 R106 F108 R155 I156 N158S101-S104 PolarHBondContact O-N 3.01Å; S101-S104 WeakPolarHBondContact OG-CB 3.3Å; S101-S104 PolarHBondContact OG-N 3.07Å; S101-S104 PolarHBondContact OG-OG 3.44Å; S104-R106 VanDerWaalsContact C-N 3.35Å; S104-R106 PolarHBondContact O-N 3.21Å; S104-F108 WeakPolarHBondContact O-CB 3.4Å; S104-F108 PolarHBondContact O-N 2.68Å; S104-R155 WeakPolarHBondContact CB-O 3.36Å; S104-I156 WeakPolarHBondContact CB-O 3.39Å; S104-I156 PolarHBondContact OG-O 2.88Å; S104-N158 WeakPolarHBondContact CA-ND2 3.3Å; S104-N158 PolarHBondContact O-ND2 3.31Å
105C85.1Confident84.3Confident2 Ų229.1 Ų29.11%0.01415%0.147CC..Hα-helixtrans-62.2-36.1177.8-66.50000113.6A83 C96 S101 V103 L109A83-C105 HydrophobicContact CB-CB 4.28Å; A83-C105 WeakPolarHBondContact CB-O 3.48Å; C96-C105 VanDerWaalsContact CB-SG 3.58Å; S101-C105 PolarHBondContact O-N 3.42Å; S101-C105 VanDerWaalsContact O-N 3.15Å; S101-C105 PolarHBondContact O-SG 2.9Å; V103-C105 VanDerWaalsContact C-N 3.3Å; V103-C105 PolarHBondContact O-N 2.79Å; C105-L109 PolarHBondContact O-N 2.91Å
106R87.7Confident84.1Confident92 Ų9229.3 Ų29.335%0.34715%0.148SC..Hα-helixtrans-75.7-49.2178.7-75.7-178.2-68.6155.94.2111.1A83 D102 V103 S104 F108 L109 D110A83-R106 HydrophobicContact CB-CG 4.2Å; D102-R106 PolarHBondContact O-NE 3.15Å; D102-R106 PolarHBondContact O-NH2 3.19Å; V103-R106 PolarHBondContact O-N 2.84Å; V103-R106 VanDerWaalsContact O-N 3.07Å; S104-R106 VanDerWaalsContact C-N 3.35Å; S104-R106 PolarHBondContact O-N 3.21Å; R106-F108 VanDerWaalsContact C-N 3.26Å; R106-F108 PolarHBondContact O-N 3.24Å; R106-L109 PolarHBondContact O-N 3.38Å; R106-D110 VanDerWaalsContact O-CG 3.22Å; R106-D110 PolarHBondContact O-N 3.05Å
107Q84.1Confident83.9Confident76 Ų7629.4 Ų29.436%0.35515%0.148SC..Hα-helixtrans-56.3-40.4174.2-74.5174.5-13.700112.4V103 D110 Q111 N158V103-Q107 HydrophobicContact CG1-CG 4.37Å; V103-Q107 PolarHBondContact O-N 3.27Å; Q107-D110 PolarHBondContact O-N 3.4Å; Q107-Q111 WeakPolarHBondContact O-CG 3.29Å; Q107-Q111 PolarHBondContact O-N 2.64Å; Q107-N158 VanDerWaalsContact CB-ND2 3.28Å; Q107-N158 WeakPolarHBondContact CB-ND2 3.41Å; Q107-N158 PolarHBondContact OE1-ND2 2.66Å
108F83.8Confident83.9Confident17 Ų1728.7 Ų28.78%0.07514%0.141CC..Hα-helixtrans-67.1-43.2178-178.6-113.7000111.5W14 W15 L94 S104 R106 D110 Q111 L112 V146W14-F108 HydrophobicContact CH2-CD1 4.08Å; W14-F108 AromaticContact CH2-CE1 3.55Å; W14-F108 HydrophobicContact CH2-CE1 3.55Å; W14-F108 HydrophobicContact CH2-CE2 4.31Å; W14-F108 AromaticContact CH2-CZ 3.71Å; W14-F108 HydrophobicContact CH2-CZ 3.71Å; W14-F108 AromaticContact CZ3-CD1 3.87Å; W14-F108 HydrophobicContact CZ3-CD1 3.87Å; W14-F108 AromaticContact CZ3-CE1 3.69Å; W14-F108 HydrophobicContact CZ3-CE1 3.69Å; W14-F108 HydrophobicContact CZ3-CZ 4.31Å; W15-F108 AromaticContact CE3-CE1 3.94Å; W15-F108 HydrophobicContact CE3-CE1 3.94Å; W15-F108 HydrophobicContact CE3-CZ 4.09Å; W15-F108 HydrophobicContact CH2-CE1 4.1Å; W15-F108 HydrophobicContact CH2-CZ 4.08Å; W15-F108 AromaticContact CZ3-CE1 3.71Å; W15-F108 HydrophobicContact CZ3-CE1 3.71Å; W15-F108 AromaticContact CZ3-CZ 3.54Å; W15-F108 HydrophobicContact CZ3-CZ 3.54Å; L94-F108 HydrophobicContact CD1-CE1 4.47Å; L94-F108 HydrophobicContact CD2-CD1 3.6Å; L94-F108 HydrophobicContact CD2-CE1 4.17Å; S104-F108 WeakPolarHBondContact O-CB 3.4Å; S104-F108 PolarHBondContact O-N 2.68Å; R106-F108 VanDerWaalsContact C-N 3.26Å; R106-F108 PolarHBondContact O-N 3.24Å; F108-D110 VanDerWaalsContact C-N 3.29Å; F108-D110 PolarHBondContact O-N 2.67Å; F108-Q111 WeakPolarHBondContact O-CB 3.39Å; F108-Q111 PolarHBondContact O-N 3.31Å; F108-Q111 VanDerWaalsContact O-N 3.17Å; F108-L112 HydrophobicContact CD1-CD1 4.34Å; F108-L112 HydrophobicContact CD1-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.84Å; F108-L112 HydrophobicContact CE1-CD2 4.14Å; F108-L112 HydrophobicContact CE1-CG 4.05Å; F108-L112 HydrophobicContact CE2-CD2 4.11Å; F108-L112 HydrophobicContact CE2-CG 4.45Å; F108-L112 HydrophobicContact CZ-CD1 4.23Å; F108-L112 HydrophobicContact CZ-CD2 3.65Å; F108-L112 HydrophobicContact CZ-CG 4.01Å; F108-L112 WeakPolarHBondContact O-CG 3.4Å; F108-L112 PolarHBondContact O-N 2.89Å; F108-V146 HydrophobicContact CE2-CG1 4.08Å; F108-V146 HydrophobicContact CZ-CG1 3.85Å
109L87.8Confident84Confident1 Ų126.4 Ų26.41%0.00513%0.126CC..Hα-helixtrans-59.1-40.4171.3176.156.6000112F18 A83 R85 W92 L94 C105 R106 Q111 L112 I113F18-L109 HydrophobicContact CE2-CD1 4.02Å; A83-L109 VanDerWaalsContact C-CD2 3.47Å; A83-L109 HydrophobicContact CB-CB 4.29Å; A83-L109 HydrophobicContact CB-CD2 3.9Å; A83-L109 WeakPolarHBondContact O-CD2 3.11Å; R85-L109 HydrophobicContact CB-CD2 4.32Å; R85-L109 HydrophobicContact CG-CD2 3.81Å; R85-L109 HydrophobicContact CG-CG 4.04Å; W92-L109 HydrophobicContact CB-CD1 4.2Å; L94-L109 HydrophobicContact CB-CB 4.32Å; L94-L109 HydrophobicContact CB-CD1 4.11Å; L94-L109 HydrophobicContact CB-CD2 4.3Å; L94-L109 HydrophobicContact CB-CG 4.48Å; L94-L109 HydrophobicContact CD2-CB 4.06Å; C105-L109 PolarHBondContact O-N 2.91Å; R106-L109 PolarHBondContact O-N 3.38Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.78Å; L109-L112 WeakPolarHBondContact O-CB 3.31Å; L109-L112 PolarHBondContact O-N 2.82Å; L109-I113 HydrophobicContact CD1-CD1 3.96Å; L109-I113 HydrophobicContact CD1-CG1 4.18Å; L109-I113 HydrophobicContact CG-CD1 3.99Å; L109-I113 WeakPolarHBondContact O-CG1 3.41Å; L109-I113 PolarHBondContact O-N 2.79Å
110D87.3Confident84.3Confident48 Ų4821.4 Ų21.426%0.25710%0.103SC..Hα-helixtrans-65.1-36.2176.5-63.6-16.1000111.9R85 R106 Q107 F108 G114R85-D110 WeakPolarHBondContact CD-OD1 3.35Å; R85-D110 WeakPolarHBondContact CG-OD1 3.49Å; R85-D110 IonicContact CZ-OD1 2.88Å; R85-D110 IonicContact CZ-OD2 3.79Å; R85-D110 IonicContact NE-OD1 2.66Å; R85-D110 PolarHBondContact NE-OD1 2.82Å; R85-D110 IonicContact NH1-OD1 3.71Å; R85-D110 PolarHBondContact NH1-OD1 2.91Å; R85-D110 IonicContact NH1-OD2 3.02Å; R85-D110 PolarHBondContact NH1-OD2 3.37Å; R106-D110 VanDerWaalsContact O-CG 3.22Å; R106-D110 PolarHBondContact O-N 3.05Å; Q107-D110 PolarHBondContact O-N 3.4Å; F108-D110 VanDerWaalsContact C-N 3.29Å; F108-D110 PolarHBondContact O-N 2.67Å; D110-G114 PolarHBondContact O-N 3.41Å
111Q82.2Confident84.4Confident64 Ų6420.4 Ų20.430%0.29910%0.098SC..Hα-helixtrans-66-39.3170.5-74178.3-13.900112.4Q107 F108 L109 G114 F115 N158Q107-Q111 WeakPolarHBondContact O-CG 3.29Å; Q107-Q111 PolarHBondContact O-N 2.64Å; F108-Q111 WeakPolarHBondContact O-CB 3.39Å; F108-Q111 PolarHBondContact O-N 3.31Å; F108-Q111 VanDerWaalsContact O-N 3.17Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.78Å; Q111-G114 PolarHBondContact O-N 2.8Å; Q111-F115 WeakPolarHBondContact O-CB 3.31Å; Q111-F115 PolarHBondContact O-N 3.45Å; Q111-N158 PolarHBondContact NE2-O 2.76Å
112L83.9Confident84.5Confident1 Ų122 Ų221%0.00511%0.108CC..Hα-helixtrans-60.6-47.1175-67.1-177.3000111.8W15 F18 L94 F108 L109 F115 F116 F142W15-L112 HydrophobicContact CH2-CD1 3.76Å; W15-L112 HydrophobicContact CH2-CD2 3.82Å; W15-L112 HydrophobicContact CH2-CG 4.45Å; W15-L112 HydrophobicContact CZ2-CD1 3.91Å; W15-L112 HydrophobicContact CZ3-CD2 4.43Å; F18-L112 HydrophobicContact CD2-CD1 4Å; F18-L112 HydrophobicContact CE2-CD1 3.79Å; F18-L112 HydrophobicContact CZ-CD1 4.33Å; L94-L112 HydrophobicContact CD1-CD1 4.19Å; F108-L112 HydrophobicContact CD1-CD1 4.34Å; F108-L112 HydrophobicContact CD1-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.84Å; F108-L112 HydrophobicContact CE1-CD2 4.14Å; F108-L112 HydrophobicContact CE1-CG 4.05Å; F108-L112 HydrophobicContact CE2-CD2 4.11Å; F108-L112 HydrophobicContact CE2-CG 4.45Å; F108-L112 HydrophobicContact CZ-CD1 4.23Å; F108-L112 HydrophobicContact CZ-CD2 3.65Å; F108-L112 HydrophobicContact CZ-CG 4.01Å; F108-L112 WeakPolarHBondContact O-CG 3.4Å; F108-L112 PolarHBondContact O-N 2.89Å; L109-L112 WeakPolarHBondContact O-CB 3.31Å; L109-L112 PolarHBondContact O-N 2.82Å; L112-F115 PolarHBondContact O-N 2.84Å; L112-F116 PolarHBondContact O-N 2.83Å; L112-F142 HydrophobicContact CD2-CE1 3.33Å; L112-F142 HydrophobicContact CD2-CZ 3.63Å
113I86.6Confident84.4Confident1 Ų120 Ų201%0.00510%0.097CC..Hα-helixtrans-65.6-45.3178.6-63.9165.8000109.9R85 W92 L109 F115 F116 H117 Y497R85-I113 HydrophobicContact CB-CD1 3.6Å; R85-I113 HydrophobicContact CG-CD1 3.73Å; W92-I113 HydrophobicContact CB-CD1 3.93Å; W92-I113 HydrophobicContact CB-CG1 4.39Å; W92-I113 HydrophobicContact CD2-CD1 4.05Å; W92-I113 HydrophobicContact CD2-CG1 3.66Å; W92-I113 HydrophobicContact CE3-CG1 3.99Å; W92-I113 HydrophobicContact CG-CD1 3.71Å; W92-I113 HydrophobicContact CG-CG1 3.89Å; W92-I113 HydrophobicContact CZ2-CG1 4.28Å; W92-I113 HydrophobicContact CZ2-CG2 4.24Å; W92-I113 HydrophobicContact CZ3-CG1 4.45Å; L109-I113 HydrophobicContact CD1-CD1 3.96Å; L109-I113 HydrophobicContact CD1-CG1 4.18Å; L109-I113 HydrophobicContact CG-CD1 3.99Å; L109-I113 WeakPolarHBondContact O-CG1 3.41Å; L109-I113 PolarHBondContact O-N 2.79Å; I113-F115 VanDerWaalsContact C-N 3.33Å; I113-F115 PolarHBondContact O-N 2.87Å; I113-F116 PolarHBondContact O-N 3.47Å; I113-H117 WeakPolarHBondContact O-CB 3.38Å; I113-H117 PolarHBondContact O-N 2.85Å; I113-Y497 HydrophobicContact CG2-CD2 4.37Å; I113-Y497 HydrophobicContact CG2-CE2 3.66Å
114G83.6Confident84.2Confident7 Ų721.4 Ų21.47%0.07211%0.108CC..Hα-helixtrans-60.4-38.2175.900000113.6D110 Q111 F118 K212D110-G114 PolarHBondContact O-N 3.41Å; Q111-G114 PolarHBondContact O-N 2.8Å; G114-F118 VanDerWaalsContact O-CB 3.28Å; G114-F118 WeakPolarHBondContact O-CB 3.46Å; G114-F118 PolarHBondContact O-N 3.18Å; G114-K212 VanDerWaalsContact O-CE 3.23Å; G114-K212 WeakPolarHBondContact O-CE 3.37Å
115F82.9Confident84.2Confident17 Ų1725.2 Ų25.28%0.07513%0.128CC..Hα-helixtrans-67.4-46.6174.8176.5-88.6000112Q111 L112 I113 F118 Y119 F142 L215 Y216Q111-F115 WeakPolarHBondContact O-CB 3.31Å; Q111-F115 PolarHBondContact O-N 3.45Å; L112-F115 PolarHBondContact O-N 2.84Å; I113-F115 VanDerWaalsContact C-N 3.33Å; I113-F115 PolarHBondContact O-N 2.87Å; F115-F118 PolarHBondContact O-N 3.17Å; F115-Y119 AromaticContact CD2-CD2 3.97Å; F115-Y119 HydrophobicContact CD2-CD2 3.97Å; F115-Y119 AromaticContact CD2-CE2 3.98Å; F115-Y119 HydrophobicContact CD2-CE2 3.98Å; F115-Y119 HydrophobicContact CE1-CD2 4.12Å; F115-Y119 AromaticContact CE2-CD2 3.53Å; F115-Y119 HydrophobicContact CE2-CD2 3.53Å; F115-Y119 AromaticContact CE2-CE2 3.42Å; F115-Y119 HydrophobicContact CE2-CE2 3.42Å; F115-Y119 VanDerWaalsContact CE2-CE2 3.42Å; F115-Y119 HydrophobicContact CG-CD2 4.45Å; F115-Y119 AromaticContact CZ-CD2 3.61Å; F115-Y119 HydrophobicContact CZ-CD2 3.61Å; F115-Y119 AromaticContact CZ-CE2 3.89Å; F115-Y119 HydrophobicContact CZ-CE2 3.89Å; F115-Y119 PolarHBondContact O-N 3.15Å; F115-F142 AromaticContact CD1-CD2 3.72Å; F115-F142 HydrophobicContact CD1-CD2 3.72Å; F115-F142 AromaticContact CD1-CE2 3.44Å; F115-F142 HydrophobicContact CD1-CE2 3.44Å; F115-F142 VanDerWaalsContact CD1-CE2 3.44Å; F115-F142 HydrophobicContact CD1-CZ 4.14Å; F115-F142 AromaticContact CD2-CE2 3.94Å; F115-F142 HydrophobicContact CD2-CE2 3.94Å; F115-F142 AromaticContact CE1-CD2 3.25Å; F115-F142 HydrophobicContact CE1-CD2 3.25Å; F115-F142 AromaticContact CE1-CE2 3.45Å; F115-F142 HydrophobicContact CE1-CE2 3.45Å; F115-F142 VanDerWaalsContact CE1-CE2 3.45Å; F115-F142 HydrophobicContact CE1-CG 4.13Å; F115-F142 HydrophobicContact CE1-CZ 4.49Å; F115-F142 HydrophobicContact CE2-CD2 4.2Å; F115-F142 AromaticContact CE2-CE2 3.92Å; F115-F142 HydrophobicContact CE2-CE2 3.92Å; F115-F142 HydrophobicContact CG-CD2 4.38Å; F115-F142 AromaticContact CG-CE2 3.7Å; F115-F142 HydrophobicContact CG-CE2 3.7Å; F115-F142 HydrophobicContact CG-CZ 4.33Å; F115-F142 AromaticContact CZ-CD2 3.52Å; F115-F142 HydrophobicContact CZ-CD2 3.52Å; F115-F142 AromaticContact CZ-CE2 3.69Å; F115-F142 HydrophobicContact CZ-CE2 3.69Å; F115-L215 HydrophobicContact CD2-CB 3.74Å; F115-L215 HydrophobicContact CD2-CD1 4.12Å; F115-L215 HydrophobicContact CE2-CB 3.54Å; F115-L215 HydrophobicContact CZ-CB 4.46Å; F115-Y216 HydrophobicContact CZ-CD2 4.34Å
116F84.9Confident84.1Confident5 Ų525.2 Ų25.22%0.02213%0.128CC..Hα-helixtrans-60.5-49177.8178.3-91.1000111.2W92 L112 I113 F118 Y119 M120 V123 A126 Y127 L135 W139W92-F116 HydrophobicContact CH2-CB 4.12Å; W92-F116 AromaticContact CH2-CD1 3.72Å; W92-F116 HydrophobicContact CH2-CD1 3.72Å; W92-F116 HydrophobicContact CH2-CE1 4.31Å; W92-F116 AromaticContact CH2-CG 3.87Å; W92-F116 HydrophobicContact CH2-CG 3.87Å; W92-F116 HydrophobicContact CZ2-CD1 4.2Å; L112-F116 PolarHBondContact O-N 2.83Å; I113-F116 PolarHBondContact O-N 3.47Å; F116-F118 VanDerWaalsContact C-N 3.26Å; F116-F118 PolarHBondContact O-N 2.93Å; F116-Y119 PolarHBondContact O-N 2.86Å; F116-M120 HydrophobicContact CD1-CB 4.35Å; F116-M120 HydrophobicContact CD2-CB 4.14Å; F116-M120 HydrophobicContact CD2-CG 3.74Å; F116-M120 HydrophobicContact CE1-CB 4.02Å; F116-M120 HydrophobicContact CE2-CB 3.84Å; F116-M120 HydrophobicContact CE2-CG 3.65Å; F116-M120 HydrophobicContact CG-CB 4.4Å; F116-M120 HydrophobicContact CG-CG 4.34Å; F116-M120 HydrophobicContact CZ-CB 3.77Å; F116-M120 HydrophobicContact CZ-CG 4.14Å; F116-M120 WeakPolarHBondContact O-CA 3.39Å; F116-M120 VanDerWaalsContact O-CB 3.29Å; F116-M120 WeakPolarHBondContact O-CB 3.34Å; F116-M120 PolarHBondContact O-N 2.82Å; F116-V123 HydrophobicContact CD1-CG2 4.42Å; F116-V123 HydrophobicContact CE1-CB 4.4Å; F116-V123 HydrophobicContact CE1-CG2 3.96Å; F116-A126 HydrophobicContact CE1-CB 4.18Å; F116-A126 HydrophobicContact CZ-CB 3.72Å; F116-Y127 HydrophobicContact CZ-CE2 4.15Å; F116-L135 HydrophobicContact CE2-CD2 4.46Å; F116-W139 HydrophobicContact CB-CH2 3.78Å; F116-W139 HydrophobicContact CB-CZ2 3.72Å; F116-W139 AromaticContact CD2-CE2 3.66Å; F116-W139 HydrophobicContact CD2-CH2 4.1Å; F116-W139 AromaticContact CD2-CZ2 3.24Å; F116-W139 HydrophobicContact CD2-CZ2 3.24Å; F116-W139 AromaticContact CD2-NE1 3.83Å; F116-W139 HydrophobicContact CE2-CZ2 4.05Å; F116-W139 AromaticContact CE2-NE1 3.8Å; F116-W139 HydrophobicContact CG-CH2 4.26Å; F116-W139 AromaticContact CG-CZ2 3.67Å; F116-W139 HydrophobicContact CG-CZ2 3.67Å
117H85Confident83.8Confident2 Ų222.6 Ų22.61%0.00912%0.118CC..Hα-helixtrans-60.6-35.4176.8-71.9161.8000112.4D87 I113 G121 V123 Y497 L500D87-H117 IonicContact OD2-CE1 2.75Å; D87-H117 PolarHBondContact OD2-CE1 3.36Å; D87-H117 IonicContact OD2-NE2 3.5Å; I113-H117 WeakPolarHBondContact O-CB 3.38Å; I113-H117 PolarHBondContact O-N 2.85Å; H117-G121 PolarHBondContact CD2-O 2.99Å; H117-G121 VanDerWaalsContact CD2-O 3.32Å; H117-G121 VanDerWaalsContact O-CA 3.25Å; H117-G121 WeakPolarHBondContact O-CA 3.35Å; H117-G121 PolarHBondContact O-N 2.78Å; H117-V123 WeakPolarHBondContact NE2-CG2 3.27Å; H117-Y497 AromaticContact CE1-CD1 3.98Å; H117-Y497 AromaticContact CE1-CD2 3.4Å; H117-Y497 VanDerWaalsContact CE1-CD2 3.4Å; H117-Y497 WeakPolarHBondContact CE1-CD2 3.5Å; H117-Y497 AromaticContact CE1-CE2 3.97Å; H117-Y497 AromaticContact CE1-CG 3.4Å; H117-Y497 AromaticContact ND1-CD1 3.21Å; H117-Y497 WeakPolarHBondContact ND1-CD1 3.29Å; H117-Y497 AromaticContact ND1-CD2 3.47Å; H117-Y497 WeakPolarHBondContact ND1-CD2 3.27Å; H117-Y497 AromaticContact ND1-CE1 3.63Å; H117-Y497 AromaticContact ND1-CE2 3.86Å; H117-Y497 AromaticContact ND1-CG 3.12Å; H117-Y497 AromaticContact ND1-CZ 3.94Å; H117-L500 HydrophobicContact CB-CD1 3.93Å
118F84.4Confident83.8Confident1 Ų127.1 Ų27.10%0.00414%0.137CC..Hα-helixtrans-66.2-38.9178.1-178-110000114G114 F115 F116 K212 V213 V248 F249 L250 L505G114-F118 VanDerWaalsContact O-CB 3.28Å; G114-F118 WeakPolarHBondContact O-CB 3.46Å; G114-F118 PolarHBondContact O-N 3.18Å; F115-F118 PolarHBondContact O-N 3.17Å; F116-F118 VanDerWaalsContact C-N 3.26Å; F116-F118 PolarHBondContact O-N 2.93Å; F118-K212 HydrophobicContact CB-CB 4.41Å; F118-K212 HydrophobicContact CB-CD 3.8Å; F118-K212 HydrophobicContact CB-CG 4.24Å; F118-K212 HydrophobicContact CD1-CB 3.67Å; F118-K212 HydrophobicContact CD1-CD 4.34Å; F118-K212 HydrophobicContact CD1-CG 4.41Å; F118-K212 HydrophobicContact CD2-CD 4.04Å; F118-K212 HydrophobicContact CE1-CB 4.02Å; F118-K212 HydrophobicContact CG-CB 4.04Å; F118-K212 HydrophobicContact CG-CD 3.83Å; F118-K212 HydrophobicContact CG-CG 4.32Å; F118-V213 HydrophobicContact CE1-CG2 4.06Å; F118-V213 HydrophobicContact CZ-CG2 4.03Å; F118-V248 HydrophobicContact CD1-CB 4.5Å; F118-V248 HydrophobicContact CD1-CG1 4.28Å; F118-V248 HydrophobicContact CD2-CB 4.04Å; F118-V248 HydrophobicContact CD2-CG2 4.48Å; F118-V248 HydrophobicContact CE1-CB 4.25Å; F118-V248 HydrophobicContact CE1-CG1 3.88Å; F118-V248 HydrophobicContact CE2-CB 3.73Å; F118-V248 HydrophobicContact CE2-CG1 4.25Å; F118-V248 HydrophobicContact CE2-CG2 3.76Å; F118-V248 HydrophobicContact CG-CB 4.41Å; F118-V248 HydrophobicContact CZ-CB 3.85Å; F118-V248 HydrophobicContact CZ-CG1 3.86Å; F118-V248 HydrophobicContact CZ-CG2 3.91Å; F118-V248 CarbonylContact O-C 3.59Å; F118-V248 WeakPolarHBondContact O-CA 3.21Å; F118-V248 VanDerWaalsContact O-CB 3.29Å; F118-V248 WeakPolarHBondContact O-CB 3.47Å; F118-F249 WeakPolarHBondContact CA-O 3.34Å; F118-F249 VanDerWaalsContact CD2-O 3.31Å; F118-F249 WeakPolarHBondContact CD2-O 3.3Å; F118-F249 PolarHBondContact O-N 3.2Å; F118-L250 HydrophobicContact CD2-CD2 3.8Å; F118-L250 HydrophobicContact CE2-CD2 3.65Å; F118-L250 HydrophobicContact CE2-CG 4.41Å; F118-L505 HydrophobicContact CE1-CD2 4.37Å
119Y81.6Confident83.6Confident8 Ų830 Ų303%0.03116%0.159CC..Hα-helixtrans-99-21.7-178.7-76.6-69.6000115.7F115 F116 Y216 T246 V248 L505F115-Y119 AromaticContact CD2-CD2 3.97Å; F115-Y119 HydrophobicContact CD2-CD2 3.97Å; F115-Y119 AromaticContact CD2-CE2 3.98Å; F115-Y119 HydrophobicContact CD2-CE2 3.98Å; F115-Y119 HydrophobicContact CE1-CD2 4.12Å; F115-Y119 AromaticContact CE2-CD2 3.53Å; F115-Y119 HydrophobicContact CE2-CD2 3.53Å; F115-Y119 AromaticContact CE2-CE2 3.42Å; F115-Y119 HydrophobicContact CE2-CE2 3.42Å; F115-Y119 VanDerWaalsContact CE2-CE2 3.42Å; F115-Y119 HydrophobicContact CG-CD2 4.45Å; F115-Y119 AromaticContact CZ-CD2 3.61Å; F115-Y119 HydrophobicContact CZ-CD2 3.61Å; F115-Y119 AromaticContact CZ-CE2 3.89Å; F115-Y119 HydrophobicContact CZ-CE2 3.89Å; F115-Y119 PolarHBondContact O-N 3.15Å; F116-Y119 PolarHBondContact O-N 2.86Å; Y119-Y216 AromaticContact CD1-CD2 3.73Å; Y119-Y216 HydrophobicContact CD1-CD2 3.73Å; Y119-Y216 AromaticContact CD1-CE2 3.7Å; Y119-Y216 HydrophobicContact CD1-CE2 3.7Å; Y119-Y216 HydrophobicContact CD1-CG 4.26Å; Y119-Y216 AromaticContact CD2-CD2 3.93Å; Y119-Y216 HydrophobicContact CD2-CD2 3.93Å; Y119-Y216 HydrophobicContact CD2-CG 4.44Å; Y119-Y216 AromaticContact CE1-CD1 3.88Å; Y119-Y216 HydrophobicContact CE1-CD1 3.88Å; Y119-Y216 AromaticContact CE1-CD2 3.58Å; Y119-Y216 HydrophobicContact CE1-CD2 3.58Å; Y119-Y216 HydrophobicContact CE1-CE1 4.08Å; Y119-Y216 AromaticContact CE1-CE2 3.81Å; Y119-Y216 HydrophobicContact CE1-CE2 3.81Å; Y119-Y216 AromaticContact CE1-CG 3.62Å; Y119-Y216 HydrophobicContact CE1-CG 3.62Å; Y119-Y216 AromaticContact CE2-CD2 3.79Å; Y119-Y216 HydrophobicContact CE2-CD2 3.79Å; Y119-Y216 AromaticContact CE2-CG 3.83Å; Y119-Y216 HydrophobicContact CE2-CG 3.83Å; Y119-Y216 AromaticContact CG-CD2 3.91Å; Y119-Y216 HydrophobicContact CG-CD2 3.91Å; Y119-Y216 HydrophobicContact CG-CE2 4.12Å; Y119-Y216 AromaticContact CZ-CD1 3.92Å; Y119-Y216 AromaticContact CZ-CD2 3.62Å; Y119-Y216 AromaticContact CZ-CG 3.38Å; Y119-Y216 WeakPolarHBondContact OH-CB 3.29Å; Y119-T246 HydrophobicContact CD1-CG2 4.23Å; Y119-T246 HydrophobicContact CE1-CG2 4.29Å; Y119-V248 HydrophobicContact CD1-CG1 3.98Å; Y119-V248 HydrophobicContact CE1-CG1 3.86Å; Y119-L505 HydrophobicContact CE1-CD2 4.13Å; Y119-L505 WeakPolarHBondContact OH-CD2 3.11Å
120M82Confident83.3Confident18 Ų1835.1 Ų35.19%0.08918%0.178CC..Hα-helixtrans-116.5-11.8-174.1-49.6-59.2173.100113.1F116 A126 R130 L135 Q138F116-M120 HydrophobicContact CD1-CB 4.35Å; F116-M120 HydrophobicContact CD2-CB 4.14Å; F116-M120 HydrophobicContact CD2-CG 3.74Å; F116-M120 HydrophobicContact CE1-CB 4.02Å; F116-M120 HydrophobicContact CE2-CB 3.84Å; F116-M120 HydrophobicContact CE2-CG 3.65Å; F116-M120 HydrophobicContact CG-CB 4.4Å; F116-M120 HydrophobicContact CG-CG 4.34Å; F116-M120 HydrophobicContact CZ-CB 3.77Å; F116-M120 HydrophobicContact CZ-CG 4.14Å; F116-M120 WeakPolarHBondContact O-CA 3.39Å; F116-M120 VanDerWaalsContact O-CB 3.29Å; F116-M120 WeakPolarHBondContact O-CB 3.34Å; F116-M120 PolarHBondContact O-N 2.82Å; M120-A126 HydrophobicContact CB-CB 4Å; M120-R130 PolarHBondContact SD-NH1 2.97Å; M120-L135 HydrophobicContact CG-CD2 4.45Å; M120-L135 HydrophobicContact SD-CD2 4.16Å; M120-Q138 HydrophobicContact CE-CB 4.1Å; M120-Q138 HydrophobicContact CE-CG 4.12Å
121G83.2Confident83.2Confident0 Ų034.7 Ų34.70%018%0.179CC..  trans72.7-165.5-172.700000112.5H117 F249H117-G121 PolarHBondContact CD2-O 2.99Å; H117-G121 VanDerWaalsContact CD2-O 3.32Å; H117-G121 VanDerWaalsContact O-CA 3.25Å; H117-G121 WeakPolarHBondContact O-CA 3.35Å; H117-G121 PolarHBondContact O-N 2.78Å; G121-F249 VanDerWaalsContact N-CD2 3.32Å
122P84.1Confident83.4Confident35 Ų3535.6 Ų35.623%0.22718%0.184CC..SBendtrans-55139.6177.9-20.628.3000112.2S124 L125 A126 L500P122-S124 PolarHBondContact O-N 3.2Å; P122-S124 VanDerWaalsContact O-N 3.14Å; P122-L125 HydrophobicContact CB-CB 4.33Å; P122-L125 WeakPolarHBondContact O-CA 3.32Å; P122-L125 WeakPolarHBondContact O-CB 3.48Å; P122-L125 PolarHBondContact O-N 3.12Å; P122-A126 PolarHBondContact O-N 3.2Å; P122-L500 HydrophobicContact CG-CB 4.44Å; P122-L500 HydrophobicContact CG-CD1 3.97Å
123V84.6Confident83.3Confident3 Ų341.9 Ų41.92%0.01821%0.213CC..Hα-helixtrans-49.9-44.1179.2-171.30000112.4L20 Y90 W92 F116 H117 L125 A126 Y127L20-V123 HydrophobicContact CD2-CG1 3.87Å; Y90-V123 HydrophobicContact CD1-CB 4.41Å; Y90-V123 HydrophobicContact CD1-CG1 3.7Å; Y90-V123 HydrophobicContact CD2-CB 3.89Å; Y90-V123 HydrophobicContact CD2-CG1 4.08Å; Y90-V123 HydrophobicContact CD2-CG2 4.39Å; Y90-V123 HydrophobicContact CE1-CB 4.38Å; Y90-V123 HydrophobicContact CE1-CG1 3.61Å; Y90-V123 HydrophobicContact CE2-CB 3.87Å; Y90-V123 HydrophobicContact CE2-CG1 4.01Å; Y90-V123 HydrophobicContact CG-CB 4.18Å; Y90-V123 HydrophobicContact CG-CG1 3.95Å; Y90-V123 HydrophobicContact CG-CG2 4.49Å; W92-V123 HydrophobicContact CH2-CG2 4.29Å; W92-V123 HydrophobicContact CZ2-CG2 3.51Å; F116-V123 HydrophobicContact CD1-CG2 4.42Å; F116-V123 HydrophobicContact CE1-CB 4.4Å; F116-V123 HydrophobicContact CE1-CG2 3.96Å; H117-V123 WeakPolarHBondContact NE2-CG2 3.27Å; V123-L125 PolarHBondContact O-N 3.47Å; V123-A126 PolarHBondContact O-N 3.28Å; V123-Y127 HydrophobicContact CG1-CD2 3.71Å; V123-Y127 HydrophobicContact CG1-CE2 4.01Å; V123-Y127 PolarHBondContact O-N 3.3Å
124S81.6Confident83.2Confident50 Ų5046.6 Ų46.635%0.3524%0.235SC..Hα-helixtrans-71.7-6.2-179.268.80000114.7P122 K128P122-S124 PolarHBondContact O-N 3.2Å; P122-S124 VanDerWaalsContact O-N 3.14Å; S124-K128 WeakPolarHBondContact O-CD 3.38Å; S124-K128 WeakPolarHBondContact O-CE 3.41Å; S124-K128 VanDerWaalsContact O-CG 3.32Å; S124-K128 WeakPolarHBondContact O-CG 3.44Å; S124-K128 PolarHBondContact O-NZ 3.02Å
125L81.9Confident83.3Confident82 Ų8246.3 Ų46.343%0.42923%0.231SC..Hα-helixtrans-103.6-43.4171.2-175.4153.3000110.2P122 V123 Y127 K128 S129P122-L125 HydrophobicContact CB-CB 4.33Å; P122-L125 WeakPolarHBondContact O-CA 3.32Å; P122-L125 WeakPolarHBondContact O-CB 3.48Å; P122-L125 PolarHBondContact O-N 3.12Å; V123-L125 PolarHBondContact O-N 3.47Å; L125-Y127 PolarHBondContact O-N 2.84Å; L125-K128 PolarHBondContact O-N 3.05Å; L125-K128 VanDerWaalsContact O-N 3.1Å; L125-S129 WeakPolarHBondContact O-CB 3.44Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-S129 VanDerWaalsContact O-N 3.07Å; L125-S129 PolarHBondContact O-OG 2.89Å
126A82.7Confident83.4Confident1 Ų147.4 Ų47.41%0.00824%0.241CC..Hα-helixtrans-54.7-54.7175.900000111.7F116 M120 P122 V123 K128 S129 R130 L135F116-A126 HydrophobicContact CE1-CB 4.18Å; F116-A126 HydrophobicContact CZ-CB 3.72Å; M120-A126 HydrophobicContact CB-CB 4Å; P122-A126 PolarHBondContact O-N 3.2Å; V123-A126 PolarHBondContact O-N 3.28Å; A126-K128 PolarHBondContact O-N 3.37Å; A126-K128 VanDerWaalsContact O-N 3.12Å; A126-S129 PolarHBondContact O-N 2.91Å; A126-S129 VanDerWaalsContact O-N 3.13Å; A126-S129 PolarHBondContact O-OG 3.1Å; A126-R130 PolarHBondContact O-N 3.1Å; A126-R130 VanDerWaalsContact O-N 3.1Å; A126-L135 HydrophobicContact CB-CD1 4.4Å
127Y82.3Confident83.4Confident37 Ų3752.3 Ų52.315%0.14527%0.267CS..Hα-helixtrans-74.56178.7-77-89.7000114.8L20 C38 F116 V123 L125 Q132 L135L20-Y127 HydrophobicContact CD2-CE2 3.62Å; C38-Y127 HydrophobicContact CB-CD1 4.46Å; C38-Y127 HydrophobicContact CB-CE1 3.81Å; C38-Y127 HydrophobicContact CB-CE2 4.32Å; C38-Y127 WeakPolarHBondContact O-CE1 3.22Å; C38-Y127 PolarHBondContact O-OH 3.24Å; F116-Y127 HydrophobicContact CZ-CE2 4.15Å; V123-Y127 HydrophobicContact CG1-CD2 3.71Å; V123-Y127 HydrophobicContact CG1-CE2 4.01Å; V123-Y127 PolarHBondContact O-N 3.3Å; L125-Y127 PolarHBondContact O-N 2.84Å; Y127-Q132 HydrophobicContact CE1-CB 4.49Å; Y127-Q132 HydrophobicContact CE1-CG 4.23Å; Y127-L135 HydrophobicContact CD1-CD1 3.75Å; Y127-L135 HydrophobicContact CD2-CD1 3.86Å; Y127-L135 HydrophobicContact CE1-CB 4.49Å; Y127-L135 HydrophobicContact CE1-CD1 3.78Å; Y127-L135 HydrophobicContact CE2-CD1 3.86Å; Y127-L135 HydrophobicContact CG-CD1 3.81Å
128K83Confident83.3Confident171 Ų17156.3 Ų56.374%0.74329%0.286SS*.Hα-helixtrans-108.3-17.9167.1-69-177.4-168.5130.50113.5S124 L125 A126S124-K128 WeakPolarHBondContact O-CD 3.38Å; S124-K128 WeakPolarHBondContact O-CE 3.41Å; S124-K128 VanDerWaalsContact O-CG 3.32Å; S124-K128 WeakPolarHBondContact O-CG 3.44Å; S124-K128 PolarHBondContact O-NZ 3.02Å; L125-K128 PolarHBondContact O-N 3.05Å; L125-K128 VanDerWaalsContact O-N 3.1Å; A126-K128 PolarHBondContact O-N 3.37Å; A126-K128 VanDerWaalsContact O-N 3.12Å
129S79.9Confident83.3Confident78 Ų7856.7 Ų56.755%0.54529%0.287SS..Hα-helixtrans-108.6-18.2-173.154.70000113.9L125 A126L125-S129 WeakPolarHBondContact O-CB 3.44Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-S129 VanDerWaalsContact O-N 3.07Å; L125-S129 PolarHBondContact O-OG 2.89Å; A126-S129 PolarHBondContact O-N 2.91Å; A126-S129 VanDerWaalsContact O-N 3.13Å; A126-S129 PolarHBondContact O-OG 3.1Å
130R82.4Confident83.4Confident108 Ų10858.5 Ų58.541%0.40830%0.298SS..SBendtrans-131.9160.4176.1-57.6-169.7-165.2168.810.3111.2M120 A126 L135M120-R130 PolarHBondContact SD-NH1 2.97Å; A126-R130 PolarHBondContact O-N 3.1Å; A126-R130 VanDerWaalsContact O-N 3.1Å; R130-L135 HydrophobicContact CB-CD1 4.48Å; R130-L135 HydrophobicContact CB-CD2 4.5Å; R130-L135 HydrophobicContact CB-CG 4.25Å
131S84.6Confident83.4Confident40 Ų4060.4 Ų60.428%0.2831%0.31SS..  trans-68.7157.6173.467.30000112.3E133 E134 L135S131-E133 WeakPolarHBondContact CB-OE2 3.45Å; S131-E133 PolarHBondContact O-N 3.5Å; S131-E134 VanDerWaalsContact CB-OE1 3.28Å; S131-E134 WeakPolarHBondContact CB-OE1 3.2Å; S131-E134 PolarHBondContact N-OE1 2.89Å; S131-E134 PolarHBondContact O-N 3.09Å; S131-E134 WeakPolarHBondContact OG-CB 3.44Å; S131-E134 WeakPolarHBondContact OG-CG 3.13Å; S131-E134 PolarHBondContact OG-N 2.95Å; S131-E134 VanDerWaalsContact OG-N 3.09Å; S131-E134 PolarHBondContact OG-OE1 3.23Å; S131-L135 WeakPolarHBondContact O-CG 3.33Å; S131-L135 PolarHBondContact O-N 3.39Å
132Q85.3Confident83.1Confident83 Ų8360.9 Ų60.939%0.38831%0.312SS..Hα-helixtrans-68.7-29.5176.4177.2161.8-13.200110.9I37 C38 Y127 S136I37-Q132 PolarHBondContact O-NE2 3Å; C38-Q132 PolarHBondContact O-NE2 2.85Å; C38-Q132 VanDerWaalsContact O-NE2 3.16Å; Y127-Q132 HydrophobicContact CE1-CB 4.49Å; Y127-Q132 HydrophobicContact CE1-CG 4.23Å; Q132-S136 WeakPolarHBondContact O-CB 3.34Å; Q132-S136 PolarHBondContact O-N 2.99Å; Q132-S136 PolarHBondContact O-OG 2.86Å
133E83.7Confident82.9Confident133 Ų13359.2 Ų59.262%0.62130%0.301SS*.Hα-helixtrans-67.9-44.4176.3-63.477.2-175.500112.2S131 S136 L137S131-E133 WeakPolarHBondContact CB-OE2 3.45Å; S131-E133 PolarHBondContact O-N 3.5Å; E133-S136 PolarHBondContact O-N 2.85Å; E133-S136 PolarHBondContact O-OG 3.42Å; E133-L137 WeakPolarHBondContact O-CB 3.42Å; E133-L137 PolarHBondContact O-N 3.09Å
134E84.1Confident82.7Confident99 Ų9963.1 Ų63.146%0.46333%0.325SS..Hα-helixtrans-60.4-47.9172.4-77.7158.4-109.500111.3S131 S136 L137 Q138S131-E134 VanDerWaalsContact CB-OE1 3.28Å; S131-E134 WeakPolarHBondContact CB-OE1 3.2Å; S131-E134 PolarHBondContact N-OE1 2.89Å; S131-E134 PolarHBondContact O-N 3.09Å; S131-E134 WeakPolarHBondContact OG-CB 3.44Å; S131-E134 WeakPolarHBondContact OG-CG 3.13Å; S131-E134 PolarHBondContact OG-N 2.95Å; S131-E134 VanDerWaalsContact OG-N 3.09Å; S131-E134 PolarHBondContact OG-OE1 3.23Å; E134-S136 VanDerWaalsContact C-N 3.34Å; E134-S136 PolarHBondContact O-N 2.87Å; E134-L137 PolarHBondContact O-N 3.47Å; E134-Q138 WeakPolarHBondContact O-CG 3.34Å; E134-Q138 PolarHBondContact O-N 3.22Å
135L84.6Confident82.2Confident1 Ų161.6 Ų61.61%0.00531%0.313CS..Hα-helixtrans-66.2-36.3-178.8-67.9172.8000111.7F116 M120 A126 Y127 R130 S131 Q138 W139F116-L135 HydrophobicContact CE2-CD2 4.46Å; M120-L135 HydrophobicContact CG-CD2 4.45Å; M120-L135 HydrophobicContact SD-CD2 4.16Å; A126-L135 HydrophobicContact CB-CD1 4.4Å; Y127-L135 HydrophobicContact CD1-CD1 3.75Å; Y127-L135 HydrophobicContact CD2-CD1 3.86Å; Y127-L135 HydrophobicContact CE1-CB 4.49Å; Y127-L135 HydrophobicContact CE1-CD1 3.78Å; Y127-L135 HydrophobicContact CE2-CD1 3.86Å; Y127-L135 HydrophobicContact CG-CD1 3.81Å; R130-L135 HydrophobicContact CB-CD1 4.48Å; R130-L135 HydrophobicContact CB-CD2 4.5Å; R130-L135 HydrophobicContact CB-CG 4.25Å; S131-L135 WeakPolarHBondContact O-CG 3.33Å; S131-L135 PolarHBondContact O-N 3.39Å; L135-Q138 PolarHBondContact O-N 3.01Å; L135-W139 PolarHBondContact O-N 3.06Å
136S85.5Confident81.9Confident40 Ų4058 Ų5828%0.2830%0.295SS..Hα-helixtrans-68.3-37.8175.272.30000112.4Q132 E133 E134 W139 D140Q132-S136 WeakPolarHBondContact O-CB 3.34Å; Q132-S136 PolarHBondContact O-N 2.99Å; Q132-S136 PolarHBondContact O-OG 2.86Å; E133-S136 PolarHBondContact O-N 2.85Å; E133-S136 PolarHBondContact O-OG 3.42Å; E134-S136 VanDerWaalsContact C-N 3.34Å; E134-S136 PolarHBondContact O-N 2.87Å; S136-W139 PolarHBondContact O-N 2.72Å; S136-D140 PolarHBondContact O-N 3.06Å
137L85.4Confident81.4Confident109 Ų10960.3 Ų60.357%0.57131%0.306SS*.Hα-helixtrans-65.9-38174-17862.5000112.1E133 E134 T141E133-L137 WeakPolarHBondContact O-CB 3.42Å; E133-L137 PolarHBondContact O-N 3.09Å; E134-L137 PolarHBondContact O-N 3.47Å; L137-T141 VanDerWaalsContact O-CB 3.26Å; L137-T141 WeakPolarHBondContact O-CB 3.39Å; L137-T141 PolarHBondContact O-N 2.92Å; L137-T141 PolarHBondContact O-OG1 3.4Å
138Q81.6Confident80.8Confident85 Ų8565.9 Ų65.940%0.39733%0.327SS..Hα-helixtrans-63.6-42.9173-67.6-61.1-46.400111.4M120 E134 L135 T141 F142M120-Q138 HydrophobicContact CE-CB 4.1Å; M120-Q138 HydrophobicContact CE-CG 4.12Å; E134-Q138 WeakPolarHBondContact O-CG 3.34Å; E134-Q138 PolarHBondContact O-N 3.22Å; L135-Q138 PolarHBondContact O-N 3.01Å; Q138-T141 PolarHBondContact O-N 2.92Å; Q138-F142 VanDerWaalsContact O-CB 3.29Å; Q138-F142 WeakPolarHBondContact O-CB 3.45Å; Q138-F142 PolarHBondContact O-N 3.36Å
139W84.8Confident79.7Confident9 Ų959.8 Ų59.83%0.03431%0.313CS..Hα-helixtrans-63.6-50.6173.8-80.3120.1000112.7F18 Y39 W92 F116 L135 S136 T141 F142 I143F18-W139 HydrophobicContact CE1-CD2 4.07Å; F18-W139 AromaticContact CE1-CE3 3.85Å; F18-W139 HydrophobicContact CE1-CE3 3.85Å; F18-W139 AromaticContact CE1-CH2 3.94Å; F18-W139 HydrophobicContact CE1-CH2 3.94Å; F18-W139 HydrophobicContact CE1-CZ2 4.15Å; F18-W139 AromaticContact CE1-CZ3 3.79Å; F18-W139 HydrophobicContact CE1-CZ3 3.79Å; F18-W139 HydrophobicContact CZ-CE3 4.43Å; F18-W139 AromaticContact CZ-CH2 3.72Å; F18-W139 HydrophobicContact CZ-CH2 3.72Å; F18-W139 HydrophobicContact CZ-CZ2 4.1Å; F18-W139 AromaticContact CZ-CZ3 3.91Å; F18-W139 HydrophobicContact CZ-CZ3 3.91Å; Y39-W139 HydrophobicContact CD1-CB 4.09Å; Y39-W139 AromaticContact CD1-CG 3.97Å; Y39-W139 HydrophobicContact CD1-CG 3.97Å; Y39-W139 HydrophobicContact CD2-CB 4.05Å; Y39-W139 HydrophobicContact CD2-CG 4.35Å; Y39-W139 HydrophobicContact CE1-CB 3.65Å; Y39-W139 AromaticContact CE1-CG 3.98Å; Y39-W139 HydrophobicContact CE1-CG 3.98Å; Y39-W139 HydrophobicContact CE2-CB 3.61Å; Y39-W139 HydrophobicContact CE2-CG 4.36Å; Y39-W139 HydrophobicContact CG-CB 4.27Å; Y39-W139 AromaticContact CG-CD1 3.83Å; Y39-W139 HydrophobicContact CG-CG 4.16Å; W92-W139 HydrophobicContact CH2-CZ2 4.04Å; W92-W139 HydrophobicContact CZ3-CH2 4.04Å; W92-W139 AromaticContact CZ3-CZ2 3.66Å; W92-W139 HydrophobicContact CZ3-CZ2 3.66Å; F116-W139 HydrophobicContact CB-CH2 3.78Å; F116-W139 HydrophobicContact CB-CZ2 3.72Å; F116-W139 AromaticContact CD2-CE2 3.66Å; F116-W139 HydrophobicContact CD2-CH2 4.1Å; F116-W139 AromaticContact CD2-CZ2 3.24Å; F116-W139 HydrophobicContact CD2-CZ2 3.24Å; F116-W139 AromaticContact CD2-NE1 3.83Å; F116-W139 HydrophobicContact CE2-CZ2 4.05Å; F116-W139 AromaticContact CE2-NE1 3.8Å; F116-W139 HydrophobicContact CG-CH2 4.26Å; F116-W139 AromaticContact CG-CZ2 3.67Å; F116-W139 HydrophobicContact CG-CZ2 3.67Å; L135-W139 PolarHBondContact O-N 3.06Å; S136-W139 PolarHBondContact O-N 2.72Å; W139-T141 VanDerWaalsContact C-N 3.25Å; W139-T141 PolarHBondContact O-N 3.41Å; W139-F142 HydrophobicContact CE3-CD1 4.11Å; W139-F142 HydrophobicContact CZ3-CD1 4.15Å; W139-F142 HydrophobicContact CZ3-CE1 4.35Å; W139-F142 PolarHBondContact O-N 3.29Å; W139-F142 VanDerWaalsContact O-N 3.12Å; W139-I143 VanDerWaalsContact O-CG1 3.28Å; W139-I143 WeakPolarHBondContact O-CG1 3.4Å; W139-I143 PolarHBondContact O-N 3.49Å
140D85.1Confident78.9Confident47 Ų4757 Ų5725%0.25129%0.293SS..Hα-helixtrans-57.1-40.3177.7-85.619.7000111.4Y39 S43 S136 T144Y39-D140 PolarHBondContact OH-OD1 3.21Å; S43-D140 PolarHBondContact OG-OD2 2.91Å; S136-D140 PolarHBondContact O-N 3.06Å; D140-T144 VanDerWaalsContact O-CB 3.29Å; D140-T144 WeakPolarHBondContact O-CB 3.33Å; D140-T144 PolarHBondContact O-N 3Å; D140-T144 VanDerWaalsContact O-N 3.08Å; D140-T144 PolarHBondContact O-OG1 3.41Å
141T81.4Confident78.1Confident57 Ų5752.5 Ų52.535%0.3528%0.278SS..Hα-helixtrans-63.3-48.5174.6-60.60000111.9L137 Q138 W139 T144 Q145L137-T141 VanDerWaalsContact O-CB 3.26Å; L137-T141 WeakPolarHBondContact O-CB 3.39Å; L137-T141 PolarHBondContact O-N 2.92Å; L137-T141 PolarHBondContact O-OG1 3.4Å; Q138-T141 PolarHBondContact O-N 2.92Å; W139-T141 VanDerWaalsContact C-N 3.25Å; W139-T141 PolarHBondContact O-N 3.41Å; T141-T144 PolarHBondContact O-N 3.2Å; T141-Q145 WeakPolarHBondContact O-CG 3.41Å; T141-Q145 PolarHBondContact O-N 2.75Å
142F77.2Confident77.2Confident10 Ų1053.5 Ų53.54%0.04428%0.278CS..Hα-helixtrans-63.5-48.7179.2170.3-85.1000112.1W15 L112 F115 Q138 W139 T144 Q145 V146 L215W15-F142 HydrophobicContact CH2-CE1 4.35Å; L112-F142 HydrophobicContact CD2-CE1 3.33Å; L112-F142 HydrophobicContact CD2-CZ 3.63Å; F115-F142 AromaticContact CD1-CD2 3.72Å; F115-F142 HydrophobicContact CD1-CD2 3.72Å; F115-F142 AromaticContact CD1-CE2 3.44Å; F115-F142 HydrophobicContact CD1-CE2 3.44Å; F115-F142 VanDerWaalsContact CD1-CE2 3.44Å; F115-F142 HydrophobicContact CD1-CZ 4.14Å; F115-F142 AromaticContact CD2-CE2 3.94Å; F115-F142 HydrophobicContact CD2-CE2 3.94Å; F115-F142 AromaticContact CE1-CD2 3.25Å; F115-F142 HydrophobicContact CE1-CD2 3.25Å; F115-F142 AromaticContact CE1-CE2 3.45Å; F115-F142 HydrophobicContact CE1-CE2 3.45Å; F115-F142 VanDerWaalsContact CE1-CE2 3.45Å; F115-F142 HydrophobicContact CE1-CG 4.13Å; F115-F142 HydrophobicContact CE1-CZ 4.49Å; F115-F142 HydrophobicContact CE2-CD2 4.2Å; F115-F142 AromaticContact CE2-CE2 3.92Å; F115-F142 HydrophobicContact CE2-CE2 3.92Å; F115-F142 HydrophobicContact CG-CD2 4.38Å; F115-F142 AromaticContact CG-CE2 3.7Å; F115-F142 HydrophobicContact CG-CE2 3.7Å; F115-F142 HydrophobicContact CG-CZ 4.33Å; F115-F142 AromaticContact CZ-CD2 3.52Å; F115-F142 HydrophobicContact CZ-CD2 3.52Å; F115-F142 AromaticContact CZ-CE2 3.69Å; F115-F142 HydrophobicContact CZ-CE2 3.69Å; Q138-F142 VanDerWaalsContact O-CB 3.29Å; Q138-F142 WeakPolarHBondContact O-CB 3.45Å; Q138-F142 PolarHBondContact O-N 3.36Å; W139-F142 HydrophobicContact CE3-CD1 4.11Å; W139-F142 HydrophobicContact CZ3-CD1 4.15Å; W139-F142 HydrophobicContact CZ3-CE1 4.35Å; W139-F142 PolarHBondContact O-N 3.29Å; W139-F142 VanDerWaalsContact O-N 3.12Å; F142-T144 VanDerWaalsContact C-N 3.26Å; F142-T144 PolarHBondContact O-N 3.32Å; F142-Q145 WeakPolarHBondContact O-CB 3.47Å; F142-Q145 PolarHBondContact O-N 2.9Å; F142-V146 HydrophobicContact CD1-CG2 4.2Å; F142-V146 HydrophobicContact CE1-CG2 3.62Å; F142-V146 HydrophobicContact CE2-CG2 4.04Å; F142-V146 HydrophobicContact CZ-CG2 3.56Å; F142-V146 PolarHBondContact O-N 2.88Å; F142-L215 HydrophobicContact CE2-CB 4.05Å; F142-L215 HydrophobicContact CE2-CD1 4.25Å; F142-L215 HydrophobicContact CZ-CD1 4.41Å
143I79.9Confident76.1Confident0 Ų050.4 Ų50.40%027%0.265CS..Hα-helixtrans-61.6-39.5-179.8-63.5178.7000109.8W15 F18 Y39 Y41 W139 Q145 V146 L147W15-I143 HydrophobicContact CD2-CG2 4.2Å; W15-I143 HydrophobicContact CE3-CG2 4.13Å; W15-I143 HydrophobicContact CH2-CB 4.31Å; W15-I143 HydrophobicContact CH2-CD1 4.1Å; W15-I143 HydrophobicContact CH2-CG1 3.59Å; W15-I143 HydrophobicContact CH2-CG2 4.15Å; W15-I143 HydrophobicContact CZ2-CD1 3.66Å; W15-I143 HydrophobicContact CZ2-CG1 3.7Å; W15-I143 HydrophobicContact CZ2-CG2 4.19Å; W15-I143 HydrophobicContact CZ3-CB 4.5Å; W15-I143 HydrophobicContact CZ3-CG1 4.24Å; W15-I143 HydrophobicContact CZ3-CG2 4.08Å; F18-I143 HydrophobicContact CD1-CD1 4.12Å; Y39-I143 HydrophobicContact CE1-CD1 3.95Å; Y39-I143 WeakPolarHBondContact OH-CD1 3.39Å; Y41-I143 HydrophobicContact CD1-CD1 4.44Å; Y41-I143 HydrophobicContact CD1-CG2 4.49Å; Y41-I143 HydrophobicContact CD2-CB 4.47Å; Y41-I143 HydrophobicContact CD2-CD1 3.7Å; Y41-I143 HydrophobicContact CD2-CG2 4Å; Y41-I143 HydrophobicContact CE1-CG2 4.17Å; Y41-I143 HydrophobicContact CE2-CB 4.38Å; Y41-I143 HydrophobicContact CE2-CD1 4.41Å; Y41-I143 HydrophobicContact CE2-CG2 3.63Å; Y41-I143 HydrophobicContact CG-CD1 3.73Å; Y41-I143 HydrophobicContact CG-CG2 4.42Å; W139-I143 VanDerWaalsContact O-CG1 3.28Å; W139-I143 WeakPolarHBondContact O-CG1 3.4Å; W139-I143 PolarHBondContact O-N 3.49Å; I143-Q145 PolarHBondContact O-N 2.84Å; I143-V146 PolarHBondContact O-N 3.41Å; I143-L147 HydrophobicContact CG2-CD1 3.8Å; I143-L147 HydrophobicContact CG2-CG 4.2Å; I143-L147 WeakPolarHBondContact O-CB 3.21Å; I143-L147 VanDerWaalsContact O-CG 3.27Å; I143-L147 WeakPolarHBondContact O-CG 3.44Å; I143-L147 PolarHBondContact O-N 3.19Å
144T78.9Confident75.4Confident85 Ų8545.2 Ų45.252%0.52124%0.241SC..Hα-helixtrans-62-40.3173.9-58.90000112.2D140 T141 F142 R148D140-T144 VanDerWaalsContact O-CB 3.29Å; D140-T144 WeakPolarHBondContact O-CB 3.33Å; D140-T144 PolarHBondContact O-N 3Å; D140-T144 VanDerWaalsContact O-N 3.08Å; D140-T144 PolarHBondContact O-OG1 3.41Å; T141-T144 PolarHBondContact O-N 3.2Å; F142-T144 VanDerWaalsContact C-N 3.26Å; F142-T144 PolarHBondContact O-N 3.32Å; T144-R148 VanDerWaalsContact O-CB 3.24Å; T144-R148 WeakPolarHBondContact O-CB 3.27Å; T144-R148 PolarHBondContact O-N 3.46Å; T144-R148 VanDerWaalsContact O-N 3.1Å
145Q72.9Confident74.9Confident19 Ų1942.8 Ų42.89%0.08923%0.228CC..Hα-helixtrans-64.9-46.6174.8-70.7-179.644.100112T141 F142 I143 R148 G149 L215 T218 A219T141-Q145 WeakPolarHBondContact O-CG 3.41Å; T141-Q145 PolarHBondContact O-N 2.75Å; F142-Q145 WeakPolarHBondContact O-CB 3.47Å; F142-Q145 PolarHBondContact O-N 2.9Å; I143-Q145 PolarHBondContact O-N 2.84Å; Q145-R148 PolarHBondContact O-N 3.43Å; Q145-G149 PolarHBondContact O-N 2.81Å; Q145-L215 PolarHBondContact OE1-O 3.46Å; Q145-T218 VanDerWaalsContact CD-C 3.47Å; Q145-T218 PolarHBondContact OE1-O 3.24Å; Q145-T218 PolarHBondContact OE1-OG1 3.44Å; Q145-A219 VanDerWaalsContact OE1-N 3.16Å
146V74.7Confident74Confident7 Ų743.1 Ų43.14%0.04223%0.229CC..Hα-helixtrans-66.2-40.4-180178.50000112.2W14 W15 F108 F142 I143 R148 G149 T150 L215W14-V146 HydrophobicContact CH2-CG1 4.43Å; W14-V146 HydrophobicContact CZ2-CG1 4.33Å; W15-V146 HydrophobicContact CZ3-CB 4.26Å; W15-V146 HydrophobicContact CZ3-CG1 4.08Å; F108-V146 HydrophobicContact CE2-CG1 4.08Å; F108-V146 HydrophobicContact CZ-CG1 3.85Å; F142-V146 HydrophobicContact CD1-CG2 4.2Å; F142-V146 HydrophobicContact CE1-CG2 3.62Å; F142-V146 HydrophobicContact CE2-CG2 4.04Å; F142-V146 HydrophobicContact CZ-CG2 3.56Å; F142-V146 PolarHBondContact O-N 2.88Å; I143-V146 PolarHBondContact O-N 3.41Å; V146-R148 VanDerWaalsContact C-N 3.29Å; V146-R148 PolarHBondContact O-N 3.01Å; V146-G149 PolarHBondContact O-N 3.15Å; V146-T150 HydrophobicContact CG1-CG2 3.63Å; V146-T150 WeakPolarHBondContact O-CB 3.35Å; V146-T150 VanDerWaalsContact O-CG2 3.23Å; V146-T150 WeakPolarHBondContact O-CG2 3.28Å; V146-T150 PolarHBondContact O-N 3.25Å; V146-T150 PolarHBondContact O-OG1 3.21Å; V146-L215 HydrophobicContact CG2-CD2 4.01Å
147L72.7Confident72.9Confident48 Ų4841.2 Ų41.225%0.25122%0.216SC..Hα-helixtrans-63.9-34.2174.6-74.6174.6000112.6W14 W15 Y41 I143W14-L147 HydrophobicContact CZ2-CD2 4.39Å; W15-L147 HydrophobicContact CB-CD2 4.04Å; W15-L147 HydrophobicContact CE3-CD2 4.48Å; Y41-L147 WeakPolarHBondContact OH-CD1 3.48Å; I143-L147 HydrophobicContact CG2-CD1 3.8Å; I143-L147 HydrophobicContact CG2-CG 4.2Å; I143-L147 WeakPolarHBondContact O-CB 3.21Å; I143-L147 VanDerWaalsContact O-CG 3.27Å; I143-L147 WeakPolarHBondContact O-CG 3.44Å; I143-L147 PolarHBondContact O-N 3.19Å
148R69.1Low71.8Confident154 Ų15436.8 Ų36.858%0.58119%0.193SC*.Hα-helixtrans-77.6-35.8177.1-175.5177.265.9-178.51.7113.1T144 Q145 V146 T218T144-R148 VanDerWaalsContact O-CB 3.24Å; T144-R148 WeakPolarHBondContact O-CB 3.27Å; T144-R148 PolarHBondContact O-N 3.46Å; T144-R148 VanDerWaalsContact O-N 3.1Å; Q145-R148 PolarHBondContact O-N 3.43Å; V146-R148 VanDerWaalsContact C-N 3.29Å; V146-R148 PolarHBondContact O-N 3.01Å; R148-T218 PolarHBondContact NH2-O 2.82Å
149G60.8Low70.8Confident43 Ų4332.9 Ų32.944%0.44318%0.175SC..Hα-helixtrans-86.9-34.5-175.600000115.1Q145 V146 S151 W161Q145-G149 PolarHBondContact O-N 2.81Å; V146-G149 PolarHBondContact O-N 3.15Å; G149-S151 PolarHBondContact O-N 3.31Å; G149-W161 WeakPolarHBondContact O-CZ2 3.22Å
150T62.8Low69.5Low21 Ų2132.9 Ų32.913%0.12918%0.176CC..  trans-71.6120.1-171.3530000113.4W14 V146 R155 W161W14-T150 HydrophobicContact CZ2-CG2 4.26Å; W14-T150 WeakPolarHBondContact CZ2-OG1 3.43Å; V146-T150 HydrophobicContact CG1-CG2 3.63Å; V146-T150 WeakPolarHBondContact O-CB 3.35Å; V146-T150 VanDerWaalsContact O-CG2 3.23Å; V146-T150 WeakPolarHBondContact O-CG2 3.28Å; V146-T150 PolarHBondContact O-N 3.25Å; V146-T150 PolarHBondContact O-OG1 3.21Å; T150-R155 HydrophobicContact CG2-CG 4.36Å; T150-R155 VanDerWaalsContact O-CZ 3.3Å; T150-R155 PolarHBondContact O-NE 3.35Å; T150-R155 PolarHBondContact O-NH2 2.85Å; T150-R155 PolarHBondContact OG1-NE 2.76Å; T150-R155 VanDerWaalsContact OG1-NE 3.11Å; T150-W161 HydrophobicContact CG2-CH2 3.99Å
151S65.3Low68.1Low13 Ų1333.8 Ų33.89%0.09118%0.176CC..  trans-80.1163.6164.586.80000111.3G149 S153 H154 R155G149-S151 PolarHBondContact O-N 3.31Å; S151-S153 PolarHBondContact O-N 3.44Å; S151-S153 PolarHBondContact OG-N 3.35Å; S151-S153 PolarHBondContact OG-OG 3.09Å; S151-H154 PolarHBondContact O-N 2.8Å; S151-H154 PolarHBondContact OG-CD2 3.07Å; S151-H154 PolarHBondContact OG-N 2.79Å; S151-R155 VanDerWaalsContact O-CG 3.27Å; S151-R155 WeakPolarHBondContact O-CG 3.21Å; S151-R155 PolarHBondContact O-N 3.34Å
152E64.5Low66.9Low61 Ų6132 Ų3229%0.28516%0.164SC..Hα-helixtrans-58.6-31.2175-69.8177.7-172.500112.4I156 R589 L592E152-I156 WeakPolarHBondContact O-CG1 3.38Å; E152-R589 IonicContact OE1-CZ 2.79Å; E152-R589 IonicContact OE1-NE 3.6Å; E152-R589 PolarHBondContact OE1-NE 2.83Å; E152-R589 IonicContact OE1-NH2 3.73Å; E152-R589 PolarHBondContact OE1-NH2 2.9Å; E152-R589 IonicContact OE2-NE 3.79Å; E152-L592 HydrophobicContact CB-CD1 3.96Å
153S63.3Low65.9Low18 Ų1831.8 Ų31.813%0.12616%0.163CC..Hα-helixtrans-76-42.6178.263.30000113.2S151 R155 I156 F157 L576S151-S153 PolarHBondContact O-N 3.44Å; S151-S153 PolarHBondContact OG-N 3.35Å; S151-S153 PolarHBondContact OG-OG 3.09Å; S153-R155 VanDerWaalsContact C-N 3.25Å; S153-R155 PolarHBondContact O-N 3.16Å; S153-I156 PolarHBondContact O-N 2.83Å; S153-I156 VanDerWaalsContact O-N 3.16Å; S153-F157 WeakPolarHBondContact O-CD2 3.42Å; S153-F157 PolarHBondContact O-N 3.32Å; S153-L576 WeakPolarHBondContact OG-CD2 3.35Å
154H69.6Low64.7Low24 Ų2433.7 Ų33.711%0.11117%0.173CC..Hα-helixtrans-64.9-29.8176.8-77.4-96.1000112.2S151 I156 N158 A159 L160 W161S151-H154 PolarHBondContact O-N 2.8Å; S151-H154 PolarHBondContact OG-CD2 3.07Å; S151-H154 PolarHBondContact OG-N 2.79Å; H154-I156 VanDerWaalsContact C-N 3.34Å; H154-I156 PolarHBondContact O-N 3.27Å; H154-N158 WeakPolarHBondContact O-CA 3.46Å; H154-N158 PolarHBondContact O-N 3.01Å; H154-A159 PolarHBondContact ND1-O 3.01Å; H154-L160 PolarHBondContact CE1-O 3.48Å; H154-W161 HydrophobicContact CB-CH2 3.31Å; H154-W161 HydrophobicContact CB-CZ2 3.55Å; H154-W161 HydrophobicContact CB-CZ3 3.99Å; H154-W161 AromaticContact CD2-CE2 3.78Å; H154-W161 AromaticContact CD2-CZ2 3.67Å; H154-W161 AromaticContact CE1-CD2 3.74Å; H154-W161 AromaticContact CE1-CE2 3.76Å; H154-W161 AromaticContact CE1-CG 3.99Å; H154-W161 AromaticContact CE1-NE1 3.99Å; H154-W161 AromaticContact CG-CE2 3.71Å; H154-W161 AromaticContact CG-CH2 3.52Å; H154-W161 AromaticContact CG-CZ2 3.37Å; H154-W161 AromaticContact CG-CZ3 3.99Å; H154-W161 AromaticContact ND1-CD2 3.69Å; H154-W161 AromaticContact ND1-CE2 3.69Å; H154-W161 AromaticContact ND1-CE3 3.7Å; H154-W161 AromaticContact ND1-CH2 3.76Å; H154-W161 AromaticContact ND1-CZ2 3.74Å; H154-W161 AromaticContact ND1-CZ3 3.74Å; H154-W161 AromaticContact NE2-CE2 3.84Å; H154-W161 AromaticContact NE2-NE1 3.78Å
155R71.9Confident63.8Low48 Ų4833 Ų3318%0.18116%0.164CC..Hα-helixtrans-69.3-25.2174-64.6166.8-159.9161.60114.3W14 L100 S104 T150 S151 S153W14-R155 VanDerWaalsContact CD1-NH1 3.34Å; W14-R155 HydrophobicContact CD2-CG 4.48Å; W14-R155 HydrophobicContact CZ2-CG 4.22Å; L100-R155 HydrophobicContact CD2-CB 3.97Å; S104-R155 WeakPolarHBondContact CB-O 3.36Å; T150-R155 HydrophobicContact CG2-CG 4.36Å; T150-R155 VanDerWaalsContact O-CZ 3.3Å; T150-R155 PolarHBondContact O-NE 3.35Å; T150-R155 PolarHBondContact O-NH2 2.85Å; T150-R155 PolarHBondContact OG1-NE 2.76Å; T150-R155 VanDerWaalsContact OG1-NE 3.11Å; S151-R155 VanDerWaalsContact O-CG 3.27Å; S151-R155 WeakPolarHBondContact O-CG 3.21Å; S151-R155 PolarHBondContact O-N 3.34Å; S153-R155 VanDerWaalsContact C-N 3.25Å; S153-R155 PolarHBondContact O-N 3.16Å
156I65.6Low62.9Low7 Ų736.5 Ų36.54%0.03619%0.187CC..Hα-helixtrans-74.8-47.8177.3-66.8164.8000109.5S104 E152 S153 H154 L592 I595 N596 H599S104-I156 WeakPolarHBondContact CB-O 3.39Å; S104-I156 PolarHBondContact OG-O 2.88Å; E152-I156 WeakPolarHBondContact O-CG1 3.38Å; S153-I156 PolarHBondContact O-N 2.83Å; S153-I156 VanDerWaalsContact O-N 3.16Å; H154-I156 VanDerWaalsContact C-N 3.34Å; H154-I156 PolarHBondContact O-N 3.27Å; I156-L592 HydrophobicContact CD1-CB 4.19Å; I156-L592 HydrophobicContact CD1-CD2 4.01Å; I156-I595 HydrophobicContact CG2-CG2 4.27Å; I156-N596 HydrophobicContact CD1-CB 3.95Å; I156-N596 HydrophobicContact CG1-CB 3.98Å; I156-N596 HydrophobicContact CG2-CB 4.22Å; I156-H599 HydrophobicContact CG2-CB 4.29Å
157F62.4Low62.1Low0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-96.6-8.5-171.9-62.3-72000114.9S153 A159 V567 Y569 L576 I595 H599 Y631S153-F157 WeakPolarHBondContact O-CD2 3.42Å; S153-F157 PolarHBondContact O-N 3.32Å; F157-A159 HydrophobicContact CB-CB 3.99Å; F157-A159 PolarHBondContact O-N 3.06Å; F157-V567 HydrophobicContact CE2-CG1 3.77Å; F157-V567 HydrophobicContact CZ-CG1 4.19Å; F157-Y569 HydrophobicContact CB-CD1 4.26Å; F157-Y569 HydrophobicContact CB-CD2 3.76Å; F157-Y569 HydrophobicContact CB-CE1 4.25Å; F157-Y569 HydrophobicContact CB-CE2 3.79Å; F157-Y569 HydrophobicContact CB-CG 4.02Å; F157-Y569 AromaticContact CD1-CD1 3.35Å; F157-Y569 HydrophobicContact CD1-CD1 3.35Å; F157-Y569 HydrophobicContact CD1-CD2 4.11Å; F157-Y569 AromaticContact CD1-CE1 3.91Å; F157-Y569 HydrophobicContact CD1-CE1 3.91Å; F157-Y569 AromaticContact CD1-CG 3.46Å; F157-Y569 HydrophobicContact CD1-CG 3.46Å; F157-Y569 VanDerWaalsContact CD1-CG 3.46Å; F157-Y569 AromaticContact CE1-CD1 3.95Å; F157-Y569 HydrophobicContact CE1-CD1 3.95Å; F157-Y569 HydrophobicContact CE1-CG 4.04Å; F157-Y569 HydrophobicContact CG-CD1 4.07Å; F157-Y569 HydrophobicContact CG-CD2 4.01Å; F157-Y569 HydrophobicContact CG-CE2 4.48Å; F157-Y569 AromaticContact CG-CG 3.8Å; F157-Y569 HydrophobicContact CG-CG 3.8Å; F157-Y569 PolarHBondContact O-OH 3.33Å; F157-L576 HydrophobicContact CD2-CD1 3.45Å; F157-L576 VanDerWaalsContact CD2-CD1 3.45Å; F157-L576 HydrophobicContact CE2-CD1 3.82Å; F157-L576 HydrophobicContact CG-CD1 4.07Å; F157-I595 HydrophobicContact CE1-CG2 4.35Å; F157-I595 HydrophobicContact CE2-CG2 3.77Å; F157-I595 HydrophobicContact CZ-CG2 3.35Å; F157-H599 AromaticContact CD1-CE1 3.79Å; F157-H599 AromaticContact CD1-ND1 3.75Å; F157-H599 HydrophobicContact CE1-CB 4.39Å; F157-H599 AromaticContact CE1-CG 4Å; F157-H599 AromaticContact CE1-ND1 3.64Å; F157-Y631 AromaticContact CE1-CE2 3.73Å; F157-Y631 HydrophobicContact CE1-CE2 3.73Å; F157-Y631 HydrophobicContact CZ-CD2 4.01Å; F157-Y631 AromaticContact CZ-CE2 3.52Å; F157-Y631 HydrophobicContact CZ-CE2 3.52Å
158N63.2Low61.8Low16 Ų1640.2 Ų40.29%0.08620%0.201CC..THydrogen-bonded Turntrans51.832.8-168.7-64.4-50.6000113.3S104 Q107 Q111 H154S104-N158 WeakPolarHBondContact CA-ND2 3.3Å; S104-N158 PolarHBondContact O-ND2 3.31Å; Q107-N158 VanDerWaalsContact CB-ND2 3.28Å; Q107-N158 WeakPolarHBondContact CB-ND2 3.41Å; Q107-N158 PolarHBondContact OE1-ND2 2.66Å; Q111-N158 PolarHBondContact NE2-O 2.76Å; H154-N158 WeakPolarHBondContact O-CA 3.46Å; H154-N158 PolarHBondContact O-N 3.01Å
159A60.3Low62Low3 Ų337.3 Ų37.33%0.02519%0.194CC..  trans-79.5147.9-169.100000113.3H154 F157 Y569 S574 L576H154-A159 PolarHBondContact ND1-O 3.01Å; F157-A159 HydrophobicContact CB-CB 3.99Å; F157-A159 PolarHBondContact O-N 3.06Å; A159-Y569 HydrophobicContact CB-CD2 4.15Å; A159-Y569 HydrophobicContact CB-CE2 3.84Å; A159-S574 CarbonylContact C-O 3.13Å; A159-S574 VanDerWaalsContact CA-O 3.28Å; A159-S574 WeakPolarHBondContact CA-O 3.47Å; A159-S574 WeakPolarHBondContact CB-O 3.49Å; A159-L576 HydrophobicContact CB-CB 3.85Å
160L57.5Low62.9Low9 Ų939.8 Ų39.85%0.04720%0.202CC..BIsolated β-bridgetrans-66.5149.2175.4-57.9-179000112.1H154 N162 I200 P207 T210 A211 L214 S574H154-L160 PolarHBondContact CE1-O 3.48Å; L160-N162 PolarHBondContact O-N 3.5Å; L160-I200 HydrophobicContact CB-CD1 3.77Å; L160-I200 HydrophobicContact CD1-CD1 3.87Å; L160-I200 HydrophobicContact CG-CD1 4.37Å; L160-P207 HydrophobicContact CD1-CB 4.04Å; L160-T210 HydrophobicContact CD1-CG2 4.13Å; L160-A211 HydrophobicContact CD2-CB 3.61Å; L160-L214 HydrophobicContact CB-CD1 4.46Å; L160-L214 HydrophobicContact CD2-CD1 4.23Å; L160-S574 PolarHBondContact N-O 3.1Å
161W56.3Low63.9Low66 Ų6644 Ų4425%0.2522%0.223CC..  trans-83.5101.3168.7-85.4-98.3000110.4G149 T150 H154 L199 I200G149-W161 WeakPolarHBondContact O-CZ2 3.22Å; T150-W161 HydrophobicContact CG2-CH2 3.99Å; H154-W161 HydrophobicContact CB-CH2 3.31Å; H154-W161 HydrophobicContact CB-CZ2 3.55Å; H154-W161 HydrophobicContact CB-CZ3 3.99Å; H154-W161 AromaticContact CD2-CE2 3.78Å; H154-W161 AromaticContact CD2-CZ2 3.67Å; H154-W161 AromaticContact CE1-CD2 3.74Å; H154-W161 AromaticContact CE1-CE2 3.76Å; H154-W161 AromaticContact CE1-CG 3.99Å; H154-W161 AromaticContact CE1-NE1 3.99Å; H154-W161 AromaticContact CG-CE2 3.71Å; H154-W161 AromaticContact CG-CH2 3.52Å; H154-W161 AromaticContact CG-CZ2 3.37Å; H154-W161 AromaticContact CG-CZ3 3.99Å; H154-W161 AromaticContact ND1-CD2 3.69Å; H154-W161 AromaticContact ND1-CE2 3.69Å; H154-W161 AromaticContact ND1-CE3 3.7Å; H154-W161 AromaticContact ND1-CH2 3.76Å; H154-W161 AromaticContact ND1-CZ2 3.74Å; H154-W161 AromaticContact ND1-CZ3 3.74Å; H154-W161 AromaticContact NE2-CE2 3.84Å; H154-W161 AromaticContact NE2-NE1 3.78Å; W161-L199 HydrophobicContact CB-CD2 3.9Å; W161-L199 HydrophobicContact CG-CD2 4.28Å; W161-I200 WeakPolarHBondContact O-CG1 3.39Å; W161-I200 PolarHBondContact O-N 2.77Å
162N57Low64.8Low20 Ų2043.5 Ų43.511%0.10722%0.22CC..BIsolated β-bridgetrans-99.9160.2171.662-21.7000111.9L160 I200 M575L160-N162 PolarHBondContact O-N 3.5Å; N162-I200 HydrophobicContact CB-CB 4.44Å; N162-M575 HydrophobicContact CB-CE 3.95Å; N162-M575 HydrophobicContact CB-CG 4.33Å; N162-M575 HydrophobicContact CB-SD 4.12Å; N162-M575 PolarHBondContact ND2-SD 2.96Å
163L54.4Low65.7Low6 Ų641.9 Ų41.93%0.03121%0.213CC..  trans-67.2140.1154.8-75.1175.2000108.6H165 V168 L199 I200 V201 L548 L552L163-H165 PolarHBondContact O-N 2.86Å; L163-V168 HydrophobicContact CB-CG2 4.03Å; L163-V168 HydrophobicContact CD1-CG2 4.13Å; L163-L199 HydrophobicContact CD2-CB 3.93Å; L163-L199 HydrophobicContact CD2-CD1 3.63Å; L163-L199 HydrophobicContact CD2-CG 4.42Å; L163-L199 HydrophobicContact CG-CB 3.94Å; L163-I200 PolarHBondContact N-O 2.68Å; L163-V201 HydrophobicContact CD1-CB 4.3Å; L163-V201 HydrophobicContact CD1-CG1 4.36Å; L163-V201 HydrophobicContact CD1-CG2 3.85Å; L163-L548 HydrophobicContact CD1-CD2 4.25Å; L163-L552 HydrophobicContact CD1-CD1 4.49Å; L163-L552 HydrophobicContact CD2-CD1 4.38Å; L163-L552 HydrophobicContact CD2-CD2 3.88Å
164D55.5Low66.8Low39 Ų3945.5 Ų45.521%0.20923%0.231CC..  trans-66.1104.4172.7-176.4-14.5000109.4T166 K167 V168D164-T166 VanDerWaalsContact CG-OG1 3.24Å; D164-T166 PolarHBondContact O-N 2.78Å; D164-T166 WeakPolarHBondContact OD1-CB 3.43Å; D164-T166 PolarHBondContact OD1-N 2.79Å; D164-T166 PolarHBondContact OD1-OG1 2.98Å; D164-T166 PolarHBondContact OD2-OG1 3.21Å; D164-K167 HydrophobicContact CB-CB 4.37Å; D164-K167 HydrophobicContact CB-CD 4.3Å; D164-K167 HydrophobicContact CB-CG 4.12Å; D164-K167 PolarHBondContact O-N 2.91Å; D164-K167 IonicContact OD2-NZ 3.72Å; D164-K167 PolarHBondContact OD2-NZ 2.95Å; D164-V168 PolarHBondContact O-N 3.03Å
165H60.1Low67.7Low70 Ų7047.2 Ų47.232%0.32424%0.238SC..THydrogen-bonded Turntrans-62.1-10.5-179.3-57.3-66.2000113.5L163 L173L163-H165 PolarHBondContact O-N 2.86Å; H165-L173 HydrophobicContact CB-CD1 4.11Å; H165-L173 WeakPolarHBondContact ND1-CD1 3.48Å
166T54.1Low68.5Low94 Ų9445 Ų4558%0.57723%0.229SC*.THydrogen-bonded Turntrans-83.1-15.8170.473.10000113.5D164D164-T166 VanDerWaalsContact CG-OG1 3.24Å; D164-T166 PolarHBondContact O-N 2.78Å; D164-T166 WeakPolarHBondContact OD1-CB 3.43Å; D164-T166 PolarHBondContact OD1-N 2.79Å; D164-T166 PolarHBondContact OD1-OG1 2.98Å; D164-T166 PolarHBondContact OD2-OG1 3.21Å
167K58.3Low69.5Low125 Ų12545.7 Ų45.754%0.54324%0.236SC..THydrogen-bonded Turntrans-103.8-14.6179.3-61.3-169.7-179.480.70114.1D164 P553D164-K167 HydrophobicContact CB-CB 4.37Å; D164-K167 HydrophobicContact CB-CD 4.3Å; D164-K167 HydrophobicContact CB-CG 4.12Å; D164-K167 PolarHBondContact O-N 2.91Å; D164-K167 IonicContact OD2-NZ 3.72Å; D164-K167 PolarHBondContact OD2-NZ 2.95Å; K167-P553 HydrophobicContact CD-CG 4.43Å
168V65.1Low70.8Confident7 Ų750 Ų504%0.04226%0.259CS..SBendtrans-102.6136.4-179.8-177.90000109.7L163 D164 L172 L173 L548 L552L163-V168 HydrophobicContact CB-CG2 4.03Å; L163-V168 HydrophobicContact CD1-CG2 4.13Å; D164-V168 PolarHBondContact O-N 3.03Å; V168-L172 HydrophobicContact CG1-CB 4.15Å; V168-L172 HydrophobicContact CG1-CD1 4.47Å; V168-L173 HydrophobicContact CB-CD2 4.37Å; V168-L173 HydrophobicContact CG1-CD2 3.95Å; V168-L173 HydrophobicContact CG1-CG 4.15Å; V168-L548 HydrophobicContact CG1-CD2 4.04Å; V168-L552 HydrophobicContact CG2-CD1 4.2Å
169E74.4Confident72Confident93 Ų9349.6 Ų49.644%0.43526%0.257SS..  trans-61129.6176.5-174.5-176.6-150.600110.9L171 L172E169-L171 HydrophobicContact CG-CB 4.15Å; E169-L171 HydrophobicContact CG-CG 4.34Å; E169-L171 PolarHBondContact O-N 3.37Å; E169-L172 HydrophobicContact CB-CG 4.28Å; E169-L172 WeakPolarHBondContact O-CB 3.27Å; E169-L172 PolarHBondContact O-N 3.22Å
170P79Confident73.4Confident95 Ų9549.5 Ų49.562%0.61726%0.256SS*.Hα-helixtrans-56.2-27-178.9-2936.1000114.6L172 L173 L174P170-L172 VanDerWaalsContact C-N 3.29Å; P170-L172 PolarHBondContact O-N 3.42Å; P170-L173 PolarHBondContact O-N 2.56Å; P170-L174 WeakPolarHBondContact O-CB 3.12Å; P170-L174 PolarHBondContact O-N 3.19Å
171L83.7Confident74.8Confident109 Ų10953.5 Ų53.557%0.57127%0.274SS*.Hα-helixtrans-65.6-29.2175.6-60.6-177.3000112.8E169 K175E169-L171 HydrophobicContact CG-CB 4.15Å; E169-L171 HydrophobicContact CG-CG 4.34Å; E169-L171 PolarHBondContact O-N 3.37Å; L171-K175 WeakPolarHBondContact O-CB 3.42Å; L171-K175 PolarHBondContact O-N 2.88Å
172L83.9Confident76.3Confident4 Ų453.6 Ų53.62%0.02128%0.282CS..Hα-helixtrans-77.2-36.6175.4-57.2-175.2000111.8V168 E169 P170 L174 K175 A176 L544 H547 L548 T551V168-L172 HydrophobicContact CG1-CB 4.15Å; V168-L172 HydrophobicContact CG1-CD1 4.47Å; E169-L172 HydrophobicContact CB-CG 4.28Å; E169-L172 WeakPolarHBondContact O-CB 3.27Å; E169-L172 PolarHBondContact O-N 3.22Å; P170-L172 VanDerWaalsContact C-N 3.29Å; P170-L172 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-K175 PolarHBondContact O-N 2.76Å; L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 2.8Å; L172-L544 HydrophobicContact CB-CD1 4.23Å; L172-H547 HydrophobicContact CD1-CB 4.04Å; L172-H547 HydrophobicContact CD2-CB 3.58Å; L172-H547 HydrophobicContact CG-CB 4.49Å; L172-L548 HydrophobicContact CB-CD2 4.42Å; L172-L548 HydrophobicContact CD1-CD2 4.08Å; L172-T551 HydrophobicContact CD1-CG2 4.11Å; L172-T551 WeakPolarHBondContact CD1-OG1 3.36Å
173L84.1Confident77.7Confident27 Ų2752.7 Ų52.714%0.14128%0.277CS..Hα-helixtrans-63.4-40.3171.5-56.4177.6000110.8H165 V168 P170 A176 A177 V201 N202H165-L173 HydrophobicContact CB-CD1 4.11Å; H165-L173 WeakPolarHBondContact ND1-CD1 3.48Å; V168-L173 HydrophobicContact CB-CD2 4.37Å; V168-L173 HydrophobicContact CG1-CD2 3.95Å; V168-L173 HydrophobicContact CG1-CG 4.15Å; P170-L173 PolarHBondContact O-N 2.56Å; L173-A176 PolarHBondContact O-N 2.95Å; L173-A177 PolarHBondContact O-N 2.89Å; L173-V201 HydrophobicContact CD2-CG1 4.37Å; L173-V201 WeakPolarHBondContact CD2-O 3.34Å; L173-N202 PolarHBondContact O-ND2 3.18Å
174L86.8Confident79.2Confident93 Ų9354.1 Ų54.149%0.48728%0.284SS..Hα-helixtrans-66.8-41.9173.2-178.761.2000112.3P170 L172 A176 A177 L178P170-L174 WeakPolarHBondContact O-CB 3.12Å; P170-L174 PolarHBondContact O-N 3.19Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L174-A176 VanDerWaalsContact C-N 3.31Å; L174-A176 PolarHBondContact O-N 3.29Å; L174-A177 WeakPolarHBondContact O-CB 3.45Å; L174-A177 PolarHBondContact O-N 2.82Å; L174-A177 VanDerWaalsContact O-N 3.15Å; L174-L178 HydrophobicContact CD1-CG 4.44Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 WeakPolarHBondContact O-CG 3.19Å; L174-L178 PolarHBondContact O-N 3.13Å
175K88.3Confident80.6Confident61 Ų6161.2 Ų61.227%0.26531%0.308SS..Hα-helixtrans-58.3-43173.4-175.1174.1-175.8171.90111.3L171 L172 L178 I179 G543 L544L171-K175 WeakPolarHBondContact O-CB 3.42Å; L171-K175 PolarHBondContact O-N 2.88Å; L172-K175 PolarHBondContact O-N 2.76Å; K175-L178 PolarHBondContact O-N 2.93Å; K175-I179 HydrophobicContact CG-CD1 4.41Å; K175-I179 VanDerWaalsContact O-CG1 3.31Å; K175-I179 WeakPolarHBondContact O-CG1 3.21Å; K175-I179 PolarHBondContact O-N 3.39Å; K175-I179 VanDerWaalsContact O-N 3.07Å; K175-G543 VanDerWaalsContact NZ-C 3.29Å; K175-G543 PolarHBondContact NZ-O 2.86Å; K175-L544 HydrophobicContact CB-CD1 4.44Å; K175-L544 HydrophobicContact CD-CD1 4.18Å; K175-L544 HydrophobicContact CG-CD1 4.37Å
176A87.7Confident81.7Confident0 Ų058.1 Ų58.10%029%0.294CS..Hα-helixtrans-62.6-41.7173.700000112.5L172 L173 L174 I179 L180 I194 V201 N202 L544L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 2.8Å; L173-A176 PolarHBondContact O-N 2.95Å; L174-A176 VanDerWaalsContact C-N 3.31Å; L174-A176 PolarHBondContact O-N 3.29Å; A176-I179 PolarHBondContact O-N 3.07Å; A176-L180 WeakPolarHBondContact O-CG 3.23Å; A176-L180 PolarHBondContact O-N 2.95Å; A176-I194 HydrophobicContact CB-CD1 4.07Å; A176-V201 HydrophobicContact CB-CG1 3.87Å; A176-N202 HydrophobicContact CB-CB 3.71Å; A176-L544 HydrophobicContact CB-CD2 3.91Å
177A87.9Confident82.8Confident22 Ų2256.1 Ų56.118%0.18228%0.283CS..Hα-helixtrans-61.2-43.9174.900000112.3L173 L174 I179 L180 Q181L173-A177 PolarHBondContact O-N 2.89Å; L174-A177 WeakPolarHBondContact O-CB 3.45Å; L174-A177 PolarHBondContact O-N 2.82Å; L174-A177 VanDerWaalsContact O-N 3.15Å; A177-I179 PolarHBondContact O-N 3.39Å; A177-L180 PolarHBondContact O-N 3.4Å; A177-Q181 WeakPolarHBondContact O-CB 3.21Å; A177-Q181 WeakPolarHBondContact O-CG 3.43Å; A177-Q181 PolarHBondContact O-N 2.88Å
178L89.2Confident84.1Confident90 Ų9053 Ų5347%0.47127%0.27SS..Hα-helixtrans-66.6-35179.8-70.2169.5000112.4L174 K175 T182L174-L178 HydrophobicContact CD1-CG 4.44Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 WeakPolarHBondContact O-CG 3.19Å; L174-L178 PolarHBondContact O-N 3.13Å; K175-L178 PolarHBondContact O-N 2.93Å; L178-T182 WeakPolarHBondContact O-CB 3.45Å; L178-T182 PolarHBondContact O-N 3.22Å; L178-T182 PolarHBondContact O-OG1 2.93Å
179I88.1Confident85.1Confident9 Ų953.2 Ų53.25%0.04627%0.271CS..Hα-helixtrans-62.6-47.7172.7-68.4165.6000110.1K175 A176 A177 T182 C183 I194 L541 L544K175-I179 HydrophobicContact CG-CD1 4.41Å; K175-I179 VanDerWaalsContact O-CG1 3.31Å; K175-I179 WeakPolarHBondContact O-CG1 3.21Å; K175-I179 PolarHBondContact O-N 3.39Å; K175-I179 VanDerWaalsContact O-N 3.07Å; A176-I179 PolarHBondContact O-N 3.07Å; A177-I179 PolarHBondContact O-N 3.39Å; I179-T182 WeakPolarHBondContact O-CB 3.07Å; I179-T182 PolarHBondContact O-N 3.06Å; I179-T182 VanDerWaalsContact O-N 3.12Å; I179-C183 PolarHBondContact O-N 3.31Å; I179-C183 PolarHBondContact O-SG 3.14Å; I179-I194 HydrophobicContact CB-CD1 4Å; I179-I194 HydrophobicContact CD1-CD1 4.46Å; I179-I194 HydrophobicContact CG2-CD1 3.88Å; I179-L541 HydrophobicContact CD1-CD2 4.47Å; I179-L541 HydrophobicContact CG2-CD2 4.2Å; I179-L544 HydrophobicContact CD1-CB 4.39Å; I179-L544 HydrophobicContact CD1-CD2 4.03Å
180L89.2Confident85.6Confident0 Ų049.1 Ų49.10%025%0.252CS..Hα-helixtrans-62.1-45.6178-70.7170.2000111.9A176 A177 T182 C183 Q184 I194 N202 Q204 L515 L517A176-L180 WeakPolarHBondContact O-CG 3.23Å; A176-L180 PolarHBondContact O-N 2.95Å; A177-L180 PolarHBondContact O-N 3.4Å; L180-T182 PolarHBondContact O-N 2.99Å; L180-C183 PolarHBondContact O-N 3.41Å; L180-Q184 WeakPolarHBondContact O-CB 3.43Å; L180-Q184 PolarHBondContact O-N 3.47Å; L180-I194 HydrophobicContact CD1-CD1 4.47Å; L180-I194 HydrophobicContact CD1-CG1 4.31Å; L180-I194 HydrophobicContact CD2-CD1 4.42Å; L180-I194 HydrophobicContact CD2-CG1 4.06Å; L180-I194 HydrophobicContact CG-CD1 4.03Å; L180-I194 HydrophobicContact CG-CG1 4.08Å; L180-N202 HydrophobicContact CD1-CB 4.34Å; L180-Q204 HydrophobicContact CB-CG 4.13Å; L180-Q204 HydrophobicContact CD1-CG 4.24Å; L180-L515 HydrophobicContact CD2-CD1 3.62Å; L180-L517 HydrophobicContact CD2-CD2 4.07Å
181Q88.8Confident86Confident93 Ų9344.8 Ų44.844%0.43522%0.224SC..Hα-helixtrans-65.3-18.2173.9-72.2-179.3-5.200114.5A177 R185A177-Q181 WeakPolarHBondContact O-CB 3.21Å; A177-Q181 WeakPolarHBondContact O-CG 3.43Å; A177-Q181 PolarHBondContact O-N 2.88Å; Q181-R185 PolarHBondContact O-NH1 3.45Å
182T87.2Confident86.2Confident69 Ų6939.6 Ų39.642%0.42320%0.197SC..Hα-helixtrans-82.9-44.2172.2-57.40000109.8L178 I179 L180 Q184 R185L178-T182 WeakPolarHBondContact O-CB 3.45Å; L178-T182 PolarHBondContact O-N 3.22Å; L178-T182 PolarHBondContact O-OG1 2.93Å; I179-T182 WeakPolarHBondContact O-CB 3.07Å; I179-T182 PolarHBondContact O-N 3.06Å; I179-T182 VanDerWaalsContact O-N 3.12Å; L180-T182 PolarHBondContact O-N 2.99Å; T182-Q184 VanDerWaalsContact C-N 3.31Å; T182-Q184 PolarHBondContact O-N 3.32Å; T182-R185 WeakPolarHBondContact O-CB 3.4Å; T182-R185 PolarHBondContact O-N 3.44Å; T182-R185 VanDerWaalsContact O-N 3.1Å
183C85.7Confident86.4Confident1 Ų139.4 Ų39.41%0.00720%0.196CC..Hα-helixtrans-60.6-40.2175-59.70000111.9I179 L180 R185 S186 L517I179-C183 PolarHBondContact O-N 3.31Å; I179-C183 PolarHBondContact O-SG 3.14Å; L180-C183 PolarHBondContact O-N 3.41Å; C183-R185 PolarHBondContact O-N 3.05Å; C183-R185 VanDerWaalsContact O-N 3.07Å; C183-S186 WeakPolarHBondContact O-CB 3.29Å; C183-S186 PolarHBondContact O-N 3.36Å; C183-S186 VanDerWaalsContact O-N 3.08Å; C183-S186 PolarHBondContact O-OG 2.95Å; C183-L517 HydrophobicContact CB-CD1 3.7Å; C183-L517 HydrophobicContact CB-CD2 3.72Å; C183-L517 HydrophobicContact CB-CG 4.38Å
184Q86.9Confident86.6Confident35 Ų3538.1 Ų38.116%0.16419%0.19CC..THydrogen-bonded Turntrans-65.6-4.3176.5-157.5-176.816.600114.4L180 T182 L190L180-Q184 WeakPolarHBondContact O-CB 3.43Å; L180-Q184 PolarHBondContact O-N 3.47Å; T182-Q184 VanDerWaalsContact C-N 3.31Å; T182-Q184 PolarHBondContact O-N 3.32Å; Q184-L190 WeakPolarHBondContact CG-O 3.47Å; Q184-L190 PolarHBondContact NE2-O 3.2Å
185R84.8Confident86.5Confident189 Ų18934 Ų3471%0.71317%0.168SC*.THydrogen-bonded Turntrans-86.3-22.1171-73.8173.115669.61113.5Q181 T182 C183Q181-R185 PolarHBondContact O-NH1 3.45Å; T182-R185 WeakPolarHBondContact O-CB 3.4Å; T182-R185 PolarHBondContact O-N 3.44Å; T182-R185 VanDerWaalsContact O-N 3.1Å; C183-R185 PolarHBondContact O-N 3.05Å; C183-R185 VanDerWaalsContact O-N 3.07Å
186S82.1Confident86.1Confident4 Ų431.1 Ų31.13%0.02816%0.155CC..SBendtrans-66.8149.7174.167.30000110.3C183 V189 V533C183-S186 WeakPolarHBondContact O-CB 3.29Å; C183-S186 PolarHBondContact O-N 3.36Å; C183-S186 VanDerWaalsContact O-N 3.08Å; C183-S186 PolarHBondContact O-OG 2.95Å; S186-V189 VanDerWaalsContact OG-CG2 3.23Å; S186-V189 WeakPolarHBondContact OG-CG2 3.43Å; S186-V533 WeakPolarHBondContact OG-CG2 3.49Å
187P78.2Confident85.4Confident53 Ų5337.8 Ų37.834%0.34418%0.184SC..THydrogen-bonded Turntrans-64.1151.5177.528.9-35000110.9V189 A529P187-V189 PolarHBondContact O-N 3.27Å; P187-A529 HydrophobicContact CG-CB 3.8Å
188H85Confident84.5Confident59 Ų5938.1 Ų38.127%0.27319%0.19SC..THydrogen-bonded Turntrans65.3-4.8178.1-50-57.2000117.3G519 E520 P522 L523H188-G519 CarbonylContact O-C 3.48Å; H188-G519 WeakPolarHBondContact O-CA 3.44Å; H188-E520 HydrophobicContact CB-CB 4.21Å; H188-E520 IonicContact CE1-OE2 2.72Å; H188-E520 IonicContact CG-OE2 3.07Å; H188-E520 IonicContact ND1-OE2 2.79Å; H188-E520 PolarHBondContact ND1-OE2 3.28Å; H188-E520 PolarHBondContact O-N 3.49Å; H188-P522 WeakPolarHBondContact ND1-CG 3.38Å; H188-L523 HydrophobicContact CB-CB 4.07Å; H188-L523 HydrophobicContact CB-CD1 4.35Å
189V85.9Confident83.8Confident11 Ų1136.5 Ų36.57%0.06718%0.181CC..EExtended strand (participates in β ladder)trans-88.1120.4172.7175.80000110.7S186 P187 L517 L523 V533S186-V189 VanDerWaalsContact OG-CG2 3.23Å; S186-V189 WeakPolarHBondContact OG-CG2 3.43Å; P187-V189 PolarHBondContact O-N 3.27Å; V189-L517 HydrophobicContact CG1-CB 4.25Å; V189-L517 HydrophobicContact CG1-CD1 4.38Å; V189-L517 HydrophobicContact CG1-CD2 4.24Å; V189-L523 HydrophobicContact CG2-CD1 4.5Å; V189-L523 HydrophobicContact CG2-CD2 4.48Å; V189-V533 HydrophobicContact CG2-CG2 4.32Å
190L84.6Confident83.4Confident8 Ų836.1 Ų36.14%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-89.6-49.4-177.2-59.6176.8000112.2Q184 L258 L518 E520Q184-L190 WeakPolarHBondContact CG-O 3.47Å; Q184-L190 PolarHBondContact NE2-O 3.2Å; L190-L258 HydrophobicContact CD1-CD1 4.49Å; L190-L518 PolarHBondContact N-O 2.9Å; L190-E520 HydrophobicContact CD1-CG 4.41Å; L190-E520 HydrophobicContact CD2-CG 4.18Å; L190-E520 HydrophobicContact CG-CG 4.33Å
191A87.4Confident83Confident4 Ų436.1 Ų36.13%0.03318%0.179CC..EExtended strand (participates in β ladder)trans-166.9172.6-177.200000110.8Q204 L205 L258 L518A191-Q204 HydrophobicContact CB-CB 3.98Å; A191-L205 HydrophobicContact CB-CD2 3.74Å; A191-L258 HydrophobicContact CB-CD2 3.94Å; A191-L518 PolarHBondContact N-O 3.28Å; A191-L518 PolarHBondContact O-N 3.42Å
192G88.1Confident82.8Confident0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-166.1-174.1170.700000115.9Q204 S516G192-Q204 WeakPolarHBondContact O-CB 3.47Å; G192-Q204 PolarHBondContact O-N 2.9Å; G192-S516 CarbonylContact C-O 3.54Å; G192-S516 WeakPolarHBondContact CA-O 3.49Å
193C88.7Confident82.7Confident0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-137.4152.8177.365.40000112.2N202 S203 L205 S516C193-N202 CarbonylContact C-O 3.58Å; C193-N202 WeakPolarHBondContact CA-O 3.31Å; C193-S203 WeakPolarHBondContact CB-OG 3.15Å; C193-L205 HydrophobicContact CB-CD1 4.32Å; C193-S516 PolarHBondContact N-O 2.73Å; C193-S516 PolarHBondContact O-N 2.81Å
194I87.8Confident82.7Confident0 Ų034.4 Ų34.40%017%0.171CC..EExtended strand (participates in β ladder)trans-113.6125.8172.4-64.9174000108.4A176 I179 L180 V201 N202 L513 L515 L541 L544A176-I194 HydrophobicContact CB-CD1 4.07Å; I179-I194 HydrophobicContact CB-CD1 4Å; I179-I194 HydrophobicContact CD1-CD1 4.46Å; I179-I194 HydrophobicContact CG2-CD1 3.88Å; L180-I194 HydrophobicContact CD1-CD1 4.47Å; L180-I194 HydrophobicContact CD1-CG1 4.31Å; L180-I194 HydrophobicContact CD2-CD1 4.42Å; L180-I194 HydrophobicContact CD2-CG1 4.06Å; L180-I194 HydrophobicContact CG-CD1 4.03Å; L180-I194 HydrophobicContact CG-CG1 4.08Å; I194-V201 HydrophobicContact CB-CB 4.39Å; I194-V201 HydrophobicContact CG2-CB 4.07Å; I194-V201 HydrophobicContact CG2-CG2 3.98Å; I194-V201 WeakPolarHBondContact O-CB 3.33Å; I194-V201 PolarHBondContact O-N 3.44Å; I194-N202 PolarHBondContact N-O 3.01Å; I194-N202 PolarHBondContact O-N 2.86Å; I194-L513 HydrophobicContact CG2-CD1 3.75Å; I194-L513 HydrophobicContact CG2-CD2 4.37Å; I194-L513 HydrophobicContact CG2-CG 4.04Å; I194-L515 HydrophobicContact CD1-CD1 4.29Å; I194-L515 HydrophobicContact CG1-CD1 3.68Å; I194-L541 HydrophobicContact CD1-CD2 4.2Å; I194-L544 HydrophobicContact CD1-CD2 4.35Å; I194-L544 HydrophobicContact CG2-CD2 4.2Å
195L84.5Confident82.6Confident5 Ų533.2 Ų33.23%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-111.8144.1178.7-53.4179.3000109.6L199 I200 L214 L513 V514L195-L199 CarbonylContact C-O 3.54Å; L195-L199 WeakPolarHBondContact CA-O 3.37Å; L195-I200 HydrophobicContact CD2-CB 4.31Å; L195-I200 HydrophobicContact CD2-CG1 3.82Å; L195-L214 HydrophobicContact CD1-CD2 4.03Å; L195-L214 HydrophobicContact CD2-CD2 3.69Å; L195-L214 HydrophobicContact CD2-CG 4.25Å; L195-L214 HydrophobicContact CG-CD2 4.47Å; L195-L513 CarbonylContact O-C 3.6Å; L195-L513 VanDerWaalsContact O-CA 3.31Å; L195-L513 WeakPolarHBondContact O-CA 3.23Å; L195-L513 WeakPolarHBondContact O-CD1 3.27Å; L195-V514 PolarHBondContact N-O 2.99Å; L195-V514 PolarHBondContact O-N 2.78Å
196Y80.8Confident82.6Confident2 Ų225.4 Ų25.41%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-126.8115.6169.5-174.2-125.3000109.1G198 L199 L513 E545 L548 K549 L552Y196-G198 PolarHBondContact O-N 3.12Å; Y196-G198 VanDerWaalsContact O-N 3.16Å; Y196-L199 PolarHBondContact N-O 3.19Å; Y196-L199 WeakPolarHBondContact O-CB 3.44Å; Y196-L199 PolarHBondContact O-N 3.2Å; Y196-L513 HydrophobicContact CD2-CB 4.28Å; Y196-L513 HydrophobicContact CD2-CD1 3.87Å; Y196-L513 HydrophobicContact CG-CD1 4.27Å; Y196-E545 HydrophobicContact CE2-CG 3.99Å; Y196-E545 PolarHBondContact OH-OE1 2.95Å; Y196-L548 HydrophobicContact CD1-CB 4.26Å; Y196-L548 HydrophobicContact CD1-CD1 4.41Å; Y196-L548 HydrophobicContact CE1-CB 4.09Å; Y196-L548 HydrophobicContact CG-CD1 4.15Å; Y196-K549 WeakPolarHBondContact OH-CB 3.21Å; Y196-L552 HydrophobicContact CD1-CD2 4.31Å; Y196-L552 HydrophobicContact CE1-CD2 4.19Å
197K73.6Confident82.5Confident140 Ų14027 Ų2761%0.60915%0.15SC*.THydrogen-bonded Turntrans51.837.4179.3-60.2171178.5161.80113.5G512K197-G512 PolarHBondContact N-O 2.83Å
198G68.7Low82.5Confident29 Ų2927.5 Ų27.530%0.29916%0.155SC..THydrogen-bonded Turntrans84.33.4-178.400000115.7Y196 L214Y196-G198 PolarHBondContact O-N 3.12Å; Y196-G198 VanDerWaalsContact O-N 3.16Å; G198-L214 WeakPolarHBondContact O-CD2 3.37Å
199L74.1Confident82.4Confident55 Ų5524.7 Ų24.729%0.28814%0.142SC..EExtended strand (participates in β ladder)trans-107.7136.8176.5-53.5179.8000110.5W161 L163 L195 Y196 V201W161-L199 HydrophobicContact CB-CD2 3.9Å; W161-L199 HydrophobicContact CG-CD2 4.28Å; L163-L199 HydrophobicContact CD2-CB 3.93Å; L163-L199 HydrophobicContact CD2-CD1 3.63Å; L163-L199 HydrophobicContact CD2-CG 4.42Å; L163-L199 HydrophobicContact CG-CB 3.94Å; L195-L199 CarbonylContact C-O 3.54Å; L195-L199 WeakPolarHBondContact CA-O 3.37Å; Y196-L199 PolarHBondContact N-O 3.19Å; Y196-L199 WeakPolarHBondContact O-CB 3.44Å; Y196-L199 PolarHBondContact O-N 3.2Å; L199-V201 PolarHBondContact O-N 2.92Å
200I79.9Confident82.3Confident1 Ų124.3 Ų24.31%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-65.9124.6176.5-57.9154.5000110.1L160 W161 N162 L163 L195 T210 L214L160-I200 HydrophobicContact CB-CD1 3.77Å; L160-I200 HydrophobicContact CD1-CD1 3.87Å; L160-I200 HydrophobicContact CG-CD1 4.37Å; W161-I200 WeakPolarHBondContact O-CG1 3.39Å; W161-I200 PolarHBondContact O-N 2.77Å; N162-I200 HydrophobicContact CB-CB 4.44Å; L163-I200 PolarHBondContact N-O 2.68Å; L195-I200 HydrophobicContact CD2-CB 4.31Å; L195-I200 HydrophobicContact CD2-CG1 3.82Å; I200-T210 HydrophobicContact CD1-CG2 3.5Å; I200-T210 VanDerWaalsContact CD1-CG2 3.5Å; I200-T210 HydrophobicContact CG1-CG2 3.88Å; I200-L214 HydrophobicContact CD1-CD1 3.85Å; I200-L214 HydrophobicContact CG1-CD1 3.97Å; I200-L214 HydrophobicContact CG1-CD2 4.32Å; I200-L214 HydrophobicContact CG1-CG 4.32Å
201V81.1Confident81.9Confident1 Ų124.5 Ų24.51%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-84.2-50.4166.3-169.70000109.7L163 L173 A176 I194 L199 L513 L548L163-V201 HydrophobicContact CD1-CB 4.3Å; L163-V201 HydrophobicContact CD1-CG1 4.36Å; L163-V201 HydrophobicContact CD1-CG2 3.85Å; L173-V201 HydrophobicContact CD2-CG1 4.37Å; L173-V201 WeakPolarHBondContact CD2-O 3.34Å; A176-V201 HydrophobicContact CB-CG1 3.87Å; I194-V201 HydrophobicContact CB-CB 4.39Å; I194-V201 HydrophobicContact CG2-CB 4.07Å; I194-V201 HydrophobicContact CG2-CG2 3.98Å; I194-V201 WeakPolarHBondContact O-CB 3.33Å; I194-V201 PolarHBondContact O-N 3.44Å; L199-V201 PolarHBondContact O-N 2.92Å; V201-L513 HydrophobicContact CG2-CD1 4.27Å; V201-L548 HydrophobicContact CG1-CD1 4.17Å; V201-L548 HydrophobicContact CG1-CD2 4.48Å; V201-L548 HydrophobicContact CG2-CD1 3.93Å
202N83.3Confident81.6Confident43 Ų4325.2 Ų25.223%0.2315%0.145CC..EExtended strand (participates in β ladder)trans-158.2151.8177.2-155.6-33.1000110.1L173 A176 L180 C193 I194L173-N202 PolarHBondContact O-ND2 3.18Å; A176-N202 HydrophobicContact CB-CB 3.71Å; L180-N202 HydrophobicContact CD1-CB 4.34Å; C193-N202 CarbonylContact C-O 3.58Å; C193-N202 WeakPolarHBondContact CA-O 3.31Å; I194-N202 PolarHBondContact N-O 3.01Å; I194-N202 PolarHBondContact O-N 2.86Å
203S85.8Confident81.2Confident33 Ų3325.3 Ų25.323%0.23115%0.145CC..EExtended strand (participates in β ladder)trans-144.1134.3178.1-168.90000111.2C193 L205 T210C193-S203 WeakPolarHBondContact CB-OG 3.15Å; S203-L205 WeakPolarHBondContact OG-CB 3.48Å; S203-L205 PolarHBondContact OG-N 3.46Å; S203-L205 VanDerWaalsContact OG-N 3.07Å; S203-L205 PolarHBondContact OG-O 3.17Å; S203-T210 PolarHBondContact OG-OG1 3.01Å
204Q86Confident80.4Confident50 Ų5026 Ų2623%0.23415%0.149CC..SBendtrans-91.7-10.6163-62.7176.5-50.900111.9L180 A191 G192L180-Q204 HydrophobicContact CB-CG 4.13Å; L180-Q204 HydrophobicContact CD1-CG 4.24Å; A191-Q204 HydrophobicContact CB-CB 3.98Å; G192-Q204 WeakPolarHBondContact O-CB 3.47Å; G192-Q204 PolarHBondContact O-N 2.9Å
205L85.1Confident79.2Confident10 Ų1028 Ų285%0.05216%0.159CC..SBendtrans-81.3143-177.8-60.9172.2000110.3A191 C193 S203 L209 T210 V213 L258 L518A191-L205 HydrophobicContact CB-CD2 3.74Å; C193-L205 HydrophobicContact CB-CD1 4.32Å; S203-L205 WeakPolarHBondContact OG-CB 3.48Å; S203-L205 PolarHBondContact OG-N 3.46Å; S203-L205 VanDerWaalsContact OG-N 3.07Å; S203-L205 PolarHBondContact OG-O 3.17Å; L205-L209 HydrophobicContact CB-CB 4.14Å; L205-T210 PolarHBondContact O-OG1 2.9Å; L205-T210 VanDerWaalsContact O-OG1 3.05Å; L205-V213 HydrophobicContact CD1-CG2 4.28Å; L205-L258 HydrophobicContact CD2-CD2 3.81Å; L205-L518 HydrophobicContact CD2-CB 4.17Å; L205-L518 HydrophobicContact CD2-CD2 3.86Å
206P84.3Confident78.1Confident25 Ų2531.9 Ų31.916%0.16217%0.174CC..  trans-49.4153.2167.6-28.935.3000112.7S208 L209 T210P206-S208 VanDerWaalsContact C-N 3.27Å; P206-S208 PolarHBondContact O-N 2.81Å; P206-L209 PolarHBondContact O-N 3.09Å; P206-T210 PolarHBondContact O-N 2.78Å; P206-T210 PolarHBondContact O-OG1 3.02Å; P206-T210 VanDerWaalsContact O-OG1 3.06Å
207P80.4Confident77Confident38 Ų3834.2 Ų34.225%0.24719%0.185CC..Hα-helixtrans-58.2-37.2-176.7-23.831.4000113.7L160 L209 T210 A211 I572L160-P207 HydrophobicContact CD1-CB 4.04Å; P207-L209 PolarHBondContact O-N 3.3Å; P207-T210 PolarHBondContact O-N 2.64Å; P207-A211 WeakPolarHBondContact O-CB 3.43Å; P207-A211 PolarHBondContact O-N 2.82Å; P207-I572 VanDerWaalsContact CG-O 3.23Å; P207-I572 WeakPolarHBondContact CG-O 3.45Å
208S78.3Confident75.5Confident63 Ų6330.2 Ų30.244%0.44117%0.173SC..Hα-helixtrans-59.4-41.9175.151.50000112.9P206 K212P206-S208 VanDerWaalsContact C-N 3.27Å; P206-S208 PolarHBondContact O-N 2.81Å; S208-K212 WeakPolarHBondContact O-CG 3.44Å; S208-K212 PolarHBondContact O-N 3.36Å
209L82.6Confident73.9Confident1 Ų131.5 Ų31.51%0.00518%0.18CC..Hα-helixtrans-75-38.4176.3-62.9-167.5000111.9L205 P206 P207 A211 K212 V213 L250 E254 L258 L518L205-L209 HydrophobicContact CB-CB 4.14Å; P206-L209 PolarHBondContact O-N 3.09Å; P207-L209 PolarHBondContact O-N 3.3Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.08Å; L209-K212 HydrophobicContact CD2-CD 3.86Å; L209-K212 PolarHBondContact O-N 3.37Å; L209-V213 WeakPolarHBondContact O-CG2 3.46Å; L209-V213 PolarHBondContact O-N 3.06Å; L209-V213 VanDerWaalsContact O-N 3.08Å; L209-L250 HydrophobicContact CD1-CD2 4.06Å; L209-L250 HydrophobicContact CD2-CD2 3.52Å; L209-L250 HydrophobicContact CG-CD2 4.47Å; L209-E254 HydrophobicContact CD1-CB 4.43Å; L209-E254 HydrophobicContact CD2-CB 4.2Å; L209-E254 VanDerWaalsContact CD2-CD 3.41Å; L209-E254 HydrophobicContact CD2-CG 3.99Å; L209-E254 WeakPolarHBondContact CD2-OE1 3.42Å; L209-L258 HydrophobicContact CD1-CD1 3.86Å; L209-L258 HydrophobicContact CD1-CD2 4.12Å; L209-L258 HydrophobicContact CD1-CG 4.13Å; L209-L518 HydrophobicContact CD1-CD2 4.07Å
210T83Confident72Confident3 Ų332.3 Ų32.32%0.01819%0.189CC..Hα-helixtrans-62.5-37.5175.8-51.90000111.3L160 I200 S203 L205 P206 P207 L214L160-T210 HydrophobicContact CD1-CG2 4.13Å; I200-T210 HydrophobicContact CD1-CG2 3.5Å; I200-T210 VanDerWaalsContact CD1-CG2 3.5Å; I200-T210 HydrophobicContact CG1-CG2 3.88Å; S203-T210 PolarHBondContact OG-OG1 3.01Å; L205-T210 PolarHBondContact O-OG1 2.9Å; L205-T210 VanDerWaalsContact O-OG1 3.05Å; P206-T210 PolarHBondContact O-N 2.78Å; P206-T210 PolarHBondContact O-OG1 3.02Å; P206-T210 VanDerWaalsContact O-OG1 3.06Å; P207-T210 PolarHBondContact O-N 2.64Å; T210-L214 WeakPolarHBondContact O-CB 3.47Å; T210-L214 WeakPolarHBondContact O-CG 3.47Å; T210-L214 PolarHBondContact O-N 3.22Å
211A76.7Confident69.9Low11 Ų1138.6 Ų38.69%0.09122%0.218CC..Hα-helixtrans-59.3-48.8172.300000112.2L160 P207 L209 V213 L214 L215L160-A211 HydrophobicContact CD2-CB 3.61Å; P207-A211 WeakPolarHBondContact O-CB 3.43Å; P207-A211 PolarHBondContact O-N 2.82Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.08Å; A211-V213 PolarHBondContact O-N 2.9Å; A211-L214 PolarHBondContact O-N 3.33Å; A211-L215 WeakPolarHBondContact O-CD1 3.25Å; A211-L215 WeakPolarHBondContact O-CG 3.34Å; A211-L215 PolarHBondContact O-N 2.86Å
212K80.1Confident67.4Low20 Ų2046.2 Ų46.29%0.08726%0.259CS..Hα-helixtrans-58.5-47.7-179.9-68.6164.7172.5-170.60111.4G114 F118 S208 L209 E254G114-K212 VanDerWaalsContact O-CE 3.23Å; G114-K212 WeakPolarHBondContact O-CE 3.37Å; F118-K212 HydrophobicContact CB-CB 4.41Å; F118-K212 HydrophobicContact CB-CD 3.8Å; F118-K212 HydrophobicContact CB-CG 4.24Å; F118-K212 HydrophobicContact CD1-CB 3.67Å; F118-K212 HydrophobicContact CD1-CD 4.34Å; F118-K212 HydrophobicContact CD1-CG 4.41Å; F118-K212 HydrophobicContact CD2-CD 4.04Å; F118-K212 HydrophobicContact CE1-CB 4.02Å; F118-K212 HydrophobicContact CG-CB 4.04Å; F118-K212 HydrophobicContact CG-CD 3.83Å; F118-K212 HydrophobicContact CG-CG 4.32Å; S208-K212 WeakPolarHBondContact O-CG 3.44Å; S208-K212 PolarHBondContact O-N 3.36Å; L209-K212 HydrophobicContact CD2-CD 3.86Å; L209-K212 PolarHBondContact O-N 3.37Å; K212-E254 IonicContact NZ-OE1 3.77Å; K212-E254 PolarHBondContact NZ-OE1 3.03Å; K212-E254 IonicContact NZ-OE2 3.77Å; K212-E254 PolarHBondContact NZ-OE2 2.61Å
213V80.3Confident64.9Low1 Ų152.6 Ų52.61%0.00629%0.287CS..Hα-helixtrans-67.5-40.1-178.7175.70000112.5F118 L205 L209 A211 L215 L505F118-V213 HydrophobicContact CE1-CG2 4.06Å; F118-V213 HydrophobicContact CZ-CG2 4.03Å; L205-V213 HydrophobicContact CD1-CG2 4.28Å; L209-V213 WeakPolarHBondContact O-CG2 3.46Å; L209-V213 PolarHBondContact O-N 3.06Å; L209-V213 VanDerWaalsContact O-N 3.08Å; A211-V213 PolarHBondContact O-N 2.9Å; V213-L215 PolarHBondContact O-N 3.06Å; V213-L505 HydrophobicContact CG2-CD1 3.99Å; V213-L505 HydrophobicContact CG2-CD2 4.4Å
214L73.3Confident62.3Low16 Ų1659.5 Ų59.58%0.08431%0.308CS..Hα-helixtrans-56.4-49.6176.1-91.7172.2000112.5L160 L195 G198 I200 T210 A211 Y216 Q217L160-L214 HydrophobicContact CB-CD1 4.46Å; L160-L214 HydrophobicContact CD2-CD1 4.23Å; L195-L214 HydrophobicContact CD1-CD2 4.03Å; L195-L214 HydrophobicContact CD2-CD2 3.69Å; L195-L214 HydrophobicContact CD2-CG 4.25Å; L195-L214 HydrophobicContact CG-CD2 4.47Å; G198-L214 WeakPolarHBondContact O-CD2 3.37Å; I200-L214 HydrophobicContact CD1-CD1 3.85Å; I200-L214 HydrophobicContact CG1-CD1 3.97Å; I200-L214 HydrophobicContact CG1-CD2 4.32Å; I200-L214 HydrophobicContact CG1-CG 4.32Å; T210-L214 WeakPolarHBondContact O-CB 3.47Å; T210-L214 WeakPolarHBondContact O-CG 3.47Å; T210-L214 PolarHBondContact O-N 3.22Å; A211-L214 PolarHBondContact O-N 3.33Å; L214-Y216 VanDerWaalsContact C-N 3.26Å; L214-Y216 PolarHBondContact O-N 3.37Å; L214-Q217 PolarHBondContact O-N 3.31Å
215L62.1Low59.4Low42 Ų4264.6 Ų64.622%0.2234%0.337CS..Hα-helixtrans-66.9-22.9-167.8-74.1167.6000114.3F115 F142 Q145 V146 A211 V213F115-L215 HydrophobicContact CD2-CB 3.74Å; F115-L215 HydrophobicContact CD2-CD1 4.12Å; F115-L215 HydrophobicContact CE2-CB 3.54Å; F115-L215 HydrophobicContact CZ-CB 4.46Å; F142-L215 HydrophobicContact CE2-CB 4.05Å; F142-L215 HydrophobicContact CE2-CD1 4.25Å; F142-L215 HydrophobicContact CZ-CD1 4.41Å; Q145-L215 PolarHBondContact OE1-O 3.46Å; V146-L215 HydrophobicContact CG2-CD2 4.01Å; A211-L215 WeakPolarHBondContact O-CD1 3.25Å; A211-L215 WeakPolarHBondContact O-CG 3.34Å; A211-L215 PolarHBondContact O-N 2.86Å; V213-L215 PolarHBondContact O-N 3.06Å
216Y61.9Low57Low86 Ų8670.4 Ų70.434%0.33738%0.375SS..Hα-helixtrans-78.4-27.1179.8-173.2-106.3000113F115 Y119 L214F115-Y216 HydrophobicContact CZ-CD2 4.34Å; Y119-Y216 AromaticContact CD1-CD2 3.73Å; Y119-Y216 HydrophobicContact CD1-CD2 3.73Å; Y119-Y216 AromaticContact CD1-CE2 3.7Å; Y119-Y216 HydrophobicContact CD1-CE2 3.7Å; Y119-Y216 HydrophobicContact CD1-CG 4.26Å; Y119-Y216 AromaticContact CD2-CD2 3.93Å; Y119-Y216 HydrophobicContact CD2-CD2 3.93Å; Y119-Y216 HydrophobicContact CD2-CG 4.44Å; Y119-Y216 AromaticContact CE1-CD1 3.88Å; Y119-Y216 HydrophobicContact CE1-CD1 3.88Å; Y119-Y216 AromaticContact CE1-CD2 3.58Å; Y119-Y216 HydrophobicContact CE1-CD2 3.58Å; Y119-Y216 HydrophobicContact CE1-CE1 4.08Å; Y119-Y216 AromaticContact CE1-CE2 3.81Å; Y119-Y216 HydrophobicContact CE1-CE2 3.81Å; Y119-Y216 AromaticContact CE1-CG 3.62Å; Y119-Y216 HydrophobicContact CE1-CG 3.62Å; Y119-Y216 AromaticContact CE2-CD2 3.79Å; Y119-Y216 HydrophobicContact CE2-CD2 3.79Å; Y119-Y216 AromaticContact CE2-CG 3.83Å; Y119-Y216 HydrophobicContact CE2-CG 3.83Å; Y119-Y216 AromaticContact CG-CD2 3.91Å; Y119-Y216 HydrophobicContact CG-CD2 3.91Å; Y119-Y216 HydrophobicContact CG-CE2 4.12Å; Y119-Y216 AromaticContact CZ-CD1 3.92Å; Y119-Y216 AromaticContact CZ-CD2 3.62Å; Y119-Y216 AromaticContact CZ-CG 3.38Å; Y119-Y216 WeakPolarHBondContact OH-CB 3.29Å; L214-Y216 VanDerWaalsContact C-N 3.26Å; L214-Y216 PolarHBondContact O-N 3.37Å
217Q56Low54.1Low50 Ų5072.5 Ų72.523%0.23440%0.401CS..SBendtrans-97.32.5-167.2-60.4-178.21500113.6L214 A219 V514 S516L214-Q217 PolarHBondContact O-N 3.31Å; Q217-A219 PolarHBondContact O-N 3.18Å; Q217-V514 VanDerWaalsContact OE1-CG1 3.31Å; Q217-S516 PolarHBondContact NE2-OG 3.3Å
218T43.6Very low51.6Low57 Ų5775.7 Ų75.735%0.3543%0.431SS..  trans-85.116.9173.651.70000114.4Q145 R148Q145-T218 VanDerWaalsContact CD-C 3.47Å; Q145-T218 PolarHBondContact OE1-O 3.24Å; Q145-T218 PolarHBondContact OE1-OG1 3.44Å; R148-T218 PolarHBondContact NH2-O 2.82Å
219A34Very low49.5Very low56 Ų5676.7 Ų76.746%0.46345%0.451SS..SBendtrans-67.4125.6162.700000109.2Q145 Q217Q145-A219 VanDerWaalsContact OE1-N 3.16Å; Q217-A219 PolarHBondContact O-N 3.18Å
220P33.6Very low46.7Very low72 Ų7281 Ų8147%0.46849%0.487SS..  trans-72.3140.4-172.330-34.4000112.1D222P220-D222 PolarHBondContact O-N 3.05Å
221E36Very low44.1Very low133 Ų13386.9 Ų86.962%0.62153%0.525SS*.G310 helixtrans-67.5-21.8-179.8-62.1-166.1112.900113.5Q223 R224E221-Q223 PolarHBondContact O-N 3.35Å; E221-R224 PolarHBondContact O-N 3.11Å; E221-R224 VanDerWaalsContact O-N 3.16Å
222D29.9Very low41.8Very low160 Ų16095.5 Ų95.586%0.85656%0.563SS**G310 helixtrans-63.15.8-173.8-75.2-40.6000116.8P220P220-D222 PolarHBondContact O-N 3.05Å
223Q30.3Very low39.5Very low177 Ų177103.8 Ų103.883%0.82760%0.602SS**G310 helixtrans-120.47.3174.1-69.6-166.8-6.300115.1E221 L225E221-Q223 PolarHBondContact O-N 3.35Å; Q223-L225 PolarHBondContact O-N 3.48Å
224R30Very low37Very low178 Ų178112.8 Ų112.867%0.67264%0.644SS**  trans-83.562.1170.7-71.9-175.8176.3161-1.3112.6E221E221-R224 PolarHBondContact O-N 3.11Å; E221-R224 VanDerWaalsContact O-N 3.16Å
225L25.4Very low35.2Very low158 Ų158117.2 Ų117.283%0.82768%0.683SS**  trans-70.5129163.6-85.2166.7000109.8Q223 G227Q223-L225 PolarHBondContact O-N 3.48Å; L225-G227 PolarHBondContact O-N 3.36Å
226P34.4Very low33.8Very low131 Ų131118.4 Ų118.485%0.85171%0.706SS**  trans-79.4101.6-179.330.5-33.4000111.1
227G25.1Very low32.8Very low70 Ų70117.4 Ų117.472%0.72272%0.715SS**  trans-165124.1178.300000115.9L225L225-G227 PolarHBondContact O-N 3.36Å
228A26.9Very low32.9Very low105 Ų105119.8 Ų119.887%0.86874%0.743SS**SBendtrans57.585.2156.400000119.8
229G33.6Very low34.4Very low84 Ų84120.5 Ų120.587%0.86675%0.745SS**  75.482.412600000119.5
230A23.5Very low36.4Very low92 Ų92118.3 Ų118.376%0.7673%0.726SS**PPolyproline II helixtrans-101.9151.7149.400000109.4
231P28.6Very low38.3Very low126 Ų126118.9 Ų118.982%0.81873%0.73SS**PPolyproline II helixtrans-68151.4-174.927.9-35.1000112.7Q233P231-Q233 PolarHBondContact O-N 3.04Å
232Q29.9Very low40.2Very low191 Ų191117.4 Ų117.489%0.89373%0.726SS**PPolyproline II helixtrans-64.4122.5178.8-63.6170.2-95.500110.6
233Q30.8Very low42.7Very low194 Ų194110.3 Ų110.391%0.90769%0.688SS**PPolyproline II helixtrans-67.3141.4159.8-76.8-179.8-49.700109.4P231 A235P231-Q233 PolarHBondContact O-N 3.04Å; Q233-A235 PolarHBondContact O-N 3.31Å
234E27.3Very low45.2Very low191 Ų191106.3 Ų106.389%0.89367%0.67SS**PPolyproline II helixtrans-76121.2-169.3-65.4179.8110.400112.7G236E234-G236 PolarHBondContact O-N 2.8Å
235A36.5Very low47.7Very low108 Ų10899 Ų9989%0.89364%0.643SS**SBendtrans4840.3150.900000118.6Q233Q233-A235 PolarHBondContact O-N 3.31Å
236G31.3Very low50.4Low68 Ų6892.5 Ų92.570%0.70161%0.611SS**  trans-83.9157.1153.900000111.4E234E234-G236 PolarHBondContact O-N 2.8Å
237A41.7Very low52.7Low65 Ų6590.1 Ų90.154%0.53760%0.595SS.*  trans-62.8144.9176.500000111.7L239 T527A237-L239 PolarHBondContact O-N 3.38Å; A237-L239 VanDerWaalsContact O-N 3.12Å; A237-T527 HydrophobicContact CB-CG2 3.43Å; A237-T527 VanDerWaalsContact CB-CG2 3.43Å
238A58.8Low55.7Low99 Ų9986.8 Ų86.882%0.81856%0.561SS**  trans-67.2111.4178.500000110.2
239L74Confident58.5Low73 Ų7383.9 Ų83.938%0.38253%0.528SS..PPolyproline II helixtrans-67.4151.8179-67174.9000111.6A237 I245 I530A237-L239 PolarHBondContact O-N 3.38Å; A237-L239 VanDerWaalsContact O-N 3.12Å; L239-I245 HydrophobicContact CD1-CG1 4.27Å; L239-I245 HydrophobicContact CD2-CD1 3.8Å; L239-I245 HydrophobicContact CD2-CG1 4.23Å; L239-I530 HydrophobicContact CD2-CD1 4.22Å; L239-I530 HydrophobicContact CD2-CG2 4.3Å
240P75.5Confident60.9Low9 Ų979.9 Ų79.96%0.05849%0.487CS..PPolyproline II helixtrans-57.9154.4173.6-22.932.7000112.7N242 V243 I530 Y534P240-N242 PolarHBondContact O-N 3.37Å; P240-V243 HydrophobicContact CB-CB 4.33Å; P240-V243 HydrophobicContact CB-CG2 3.86Å; P240-V243 HydrophobicContact CG-CG2 4.25Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 2.85Å; P240-V243 VanDerWaalsContact O-N 3.12Å; P240-I530 HydrophobicContact CG-CG2 4.13Å; P240-Y534 HydrophobicContact CB-CD1 3.73Å; P240-Y534 HydrophobicContact CB-CD2 3.63Å; P240-Y534 HydrophobicContact CB-CE1 3.93Å; P240-Y534 HydrophobicContact CB-CE2 3.83Å; P240-Y534 HydrophobicContact CB-CG 3.58Å; P240-Y534 HydrophobicContact CG-CD1 4.14Å; P240-Y534 HydrophobicContact CG-CD2 4.29Å; P240-Y534 HydrophobicContact CG-CG 3.88Å
241P73.6Confident63.9Low85 Ų8576.1 Ų76.155%0.55246%0.456SS*.THydrogen-bonded Turntrans-61.7140.6178.726.9-33.4000110.8V243 Y534P241-V243 PolarHBondContact O-N 3.4Å; P241-Y534 WeakPolarHBondContact O-CE2 3.43Å
242N77.1Confident66.4Low102 Ų10276 Ų7655%0.54544%0.444SS..THydrogen-bonded Turntrans63.112.7-174.3-50.7-25.9000115.8P240 H508 S509P240-N242 PolarHBondContact O-N 3.37Å; N242-H508 WeakPolarHBondContact O-CA 3.44Å; N242-S509 VanDerWaalsContact CB-O 3.3Å; N242-S509 WeakPolarHBondContact CB-O 3.25Å; N242-S509 PolarHBondContact O-N 2.75Å
243V81.6Confident68.9Low11 Ų1174.3 Ų74.37%0.06744%0.436CS..EExtended strand (participates in β ladder)trans-98.2136.9168.91750000110.5P240 P241 I245 Y506 T507 H508 Y534P240-V243 HydrophobicContact CB-CB 4.33Å; P240-V243 HydrophobicContact CB-CG2 3.86Å; P240-V243 HydrophobicContact CG-CG2 4.25Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 2.85Å; P240-V243 VanDerWaalsContact O-N 3.12Å; P241-V243 PolarHBondContact O-N 3.4Å; V243-I245 HydrophobicContact CG1-CG1 4.39Å; V243-Y506 HydrophobicContact CB-CE2 4.38Å; V243-Y506 HydrophobicContact CG1-CD2 3.76Å; V243-Y506 HydrophobicContact CG1-CE2 3.36Å; V243-Y506 HydrophobicContact CG2-CE2 4.06Å; V243-Y506 WeakPolarHBondContact CG2-OH 3.43Å; V243-T507 CarbonylContact C-O 3.49Å; V243-T507 WeakPolarHBondContact CA-O 3.32Å; V243-H508 HydrophobicContact CG2-CB 4.39Å; V243-Y534 HydrophobicContact CG2-CD2 3.59Å; V243-Y534 HydrophobicContact CG2-CE2 4.14Å; V243-Y534 HydrophobicContact CG2-CG 4.46Å
244Q83.4Confident71.4Confident93 Ų9366.5 Ų66.544%0.43540%0.4SS..EExtended strand (participates in β ladder)trans-134.6136.1169-57.1-172.6-19.400109.1T507Q244-T507 PolarHBondContact N-O 3.42Å; Q244-T507 PolarHBondContact O-N 3.26Å; Q244-T507 PolarHBondContact O-OG1 3.37Å
245I82.3Confident74.1Confident23 Ų2358 Ų5812%0.11836%0.36CS..EExtended strand (participates in β ladder)trans-114.2116.6173.6-53.3-179000108.1L239 V243 N504 L505 Y506 L524 I530L239-I245 HydrophobicContact CD1-CG1 4.27Å; L239-I245 HydrophobicContact CD2-CD1 3.8Å; L239-I245 HydrophobicContact CD2-CG1 4.23Å; V243-I245 HydrophobicContact CG1-CG1 4.39Å; I245-N504 HydrophobicContact CG2-CB 3.94Å; I245-L505 WeakPolarHBondContact CA-O 3Å; I245-Y506 HydrophobicContact CD1-CD2 4.2Å; I245-Y506 HydrophobicContact CG1-CD2 4.09Å; I245-L524 HydrophobicContact CB-CD2 3.86Å; I245-L524 HydrophobicContact CD1-CD2 4.16Å; I245-L524 HydrophobicContact CG2-CD2 3.6Å; I245-L524 HydrophobicContact CG2-CG 3.95Å; I245-I530 HydrophobicContact CD1-CD1 3.55Å; I245-I530 HydrophobicContact CD1-CG1 3.97Å
246T83.3Confident76.3Confident23 Ų2355.6 Ų55.614%0.14134%0.341CS..EExtended strand (participates in β ladder)trans-106.4126.4-179.8-55.60000109.1Y119 V248 L505Y119-T246 HydrophobicContact CD1-CG2 4.23Å; Y119-T246 HydrophobicContact CE1-CG2 4.29Å; T246-V248 HydrophobicContact CG2-CG1 4.36Å; T246-L505 PolarHBondContact N-O 3.32Å; T246-L505 PolarHBondContact O-N 2.88Å
247P82.5Confident78.8Confident81 Ų8154.5 Ų54.553%0.52632%0.322SS..EExtended strand (participates in β ladder)trans-67.8133.3170.229-33.4000109.6M503P247-M503 WeakPolarHBondContact CA-O 3.23Å
248V87.1Confident80.7Confident0 Ų051.5 Ų51.50%030%0.297CS..EExtended strand (participates in β ladder)trans-135.1165.2-178.1-66.40000110.3F118 Y119 T246 M503 L505 L518F118-V248 HydrophobicContact CD1-CB 4.5Å; F118-V248 HydrophobicContact CD1-CG1 4.28Å; F118-V248 HydrophobicContact CD2-CB 4.04Å; F118-V248 HydrophobicContact CD2-CG2 4.48Å; F118-V248 HydrophobicContact CE1-CB 4.25Å; F118-V248 HydrophobicContact CE1-CG1 3.88Å; F118-V248 HydrophobicContact CE2-CB 3.73Å; F118-V248 HydrophobicContact CE2-CG1 4.25Å; F118-V248 HydrophobicContact CE2-CG2 3.76Å; F118-V248 HydrophobicContact CG-CB 4.41Å; F118-V248 HydrophobicContact CZ-CB 3.85Å; F118-V248 HydrophobicContact CZ-CG1 3.86Å; F118-V248 HydrophobicContact CZ-CG2 3.91Å; F118-V248 CarbonylContact O-C 3.59Å; F118-V248 WeakPolarHBondContact O-CA 3.21Å; F118-V248 VanDerWaalsContact O-CB 3.29Å; F118-V248 WeakPolarHBondContact O-CB 3.47Å; Y119-V248 HydrophobicContact CD1-CG1 3.98Å; Y119-V248 HydrophobicContact CE1-CG1 3.86Å; T246-V248 HydrophobicContact CG2-CG1 4.36Å; V248-M503 HydrophobicContact CG2-CB 4.15Å; V248-M503 PolarHBondContact N-O 3.21Å; V248-M503 PolarHBondContact O-N 3.46Å; V248-M503 VanDerWaalsContact O-O 3.11Å; V248-L505 HydrophobicContact CG1-CB 3.79Å; V248-L505 HydrophobicContact CG1-CD2 4.3Å; V248-L505 HydrophobicContact CG2-CB 3.97Å; V248-L518 HydrophobicContact CG2-CD1 3.87Å
249F85.1Confident81.5Confident43 Ų4350.9 Ų50.919%0.18928%0.278CS..EExtended strand (participates in β ladder)trans-126.5135.5-178.5-55.1-97.7000112.2F118 G121 L500 L501 P502F118-F249 WeakPolarHBondContact CA-O 3.34Å; F118-F249 VanDerWaalsContact CD2-O 3.31Å; F118-F249 WeakPolarHBondContact CD2-O 3.3Å; F118-F249 PolarHBondContact O-N 3.2Å; G121-F249 VanDerWaalsContact N-CD2 3.32Å; F249-L500 HydrophobicContact CB-CB 4.32Å; F249-L500 HydrophobicContact CB-CD2 4.41Å; F249-L501 WeakPolarHBondContact CA-O 3.32Å; F249-P502 HydrophobicContact CD1-CB 4.28Å; F249-P502 HydrophobicContact CE1-CB 4.19Å
250L85.3Confident81.2Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-120.4151.6-179.9-66.2174.2000110.9F118 L209 E254 V255 L258 L500 L501 M503 L518F118-L250 HydrophobicContact CD2-CD2 3.8Å; F118-L250 HydrophobicContact CE2-CD2 3.65Å; F118-L250 HydrophobicContact CE2-CG 4.41Å; L209-L250 HydrophobicContact CD1-CD2 4.06Å; L209-L250 HydrophobicContact CD2-CD2 3.52Å; L209-L250 HydrophobicContact CG-CD2 4.47Å; L250-E254 HydrophobicContact CB-CB 4.32Å; L250-E254 HydrophobicContact CD2-CB 4.28Å; L250-V255 HydrophobicContact CB-CG2 3.63Å; L250-V255 HydrophobicContact CD1-CG2 3.84Å; L250-V255 HydrophobicContact CG-CG2 4.4Å; L250-L258 HydrophobicContact CD1-CD1 3.9Å; L250-L500 CarbonylContact O-C 3.4Å; L250-L500 WeakPolarHBondContact O-CA 3.28Å; L250-L501 PolarHBondContact N-O 3.08Å; L250-L501 PolarHBondContact O-N 2.83Å; L250-M503 HydrophobicContact CD1-CB 4.35Å; L250-M503 HydrophobicContact CD1-CG 3.82Å; L250-M503 HydrophobicContact CG-CG 4.34Å; L250-L518 HydrophobicContact CD1-CD1 4.3Å; L250-L518 HydrophobicContact CD1-CD2 3.87Å; L250-L518 HydrophobicContact CD1-CG 4.33Å; L250-L518 HydrophobicContact CD2-CD2 4.46Å
251S85.1Confident80.2Confident14 Ų1460.9 Ų60.910%0.09832%0.32CS..EExtended strand (participates in β ladder)trans-72.7156.7166.470.80000111.1E253 E254 V255S251-E253 PolarHBondContact O-N 2.9Å; S251-E254 PolarHBondContact N-OE2 3.25Å; S251-E254 PolarHBondContact O-N 3.26Å; S251-E254 WeakPolarHBondContact OG-CG 3.37Å; S251-E254 PolarHBondContact OG-N 3.04Å; S251-V255 WeakPolarHBondContact O-CG2 3.35Å; S251-V255 PolarHBondContact O-N 2.92Å
252E82.7Confident79.4Confident124 Ų12458.3 Ų58.358%0.57930%0.303SS*.Hα-helixtrans-53.8-35.7172.7-68.8174.8-162.800112.4V255 A256 G499 L501E252-V255 PolarHBondContact O-N 3.43Å; E252-A256 VanDerWaalsContact O-CB 3.28Å; E252-A256 WeakPolarHBondContact O-CB 3.32Å; E252-A256 PolarHBondContact O-N 2.62Å; E252-G499 PolarHBondContact N-O 2.83Å; E252-L501 HydrophobicContact CG-CD1 4.14Å; E252-L501 HydrophobicContact CG-CG 4.42Å
253E82Confident77.9Confident155 Ų15559 Ų5972%0.72431%0.31SS*.Hα-helixtrans-65.5-41.7175.6-59.2179.2164.200112.4S251 S257S251-E253 PolarHBondContact O-N 2.9Å; E253-S257 WeakPolarHBondContact O-CB 3.23Å; E253-S257 PolarHBondContact O-N 2.83Å; E253-S257 PolarHBondContact O-OG 3.2Å
254E84.2Confident76.1Confident30 Ų3065.6 Ų65.614%0.1434%0.34CS..Hα-helixtrans-68.8-39.2177.7-72.1176.414800111.1L209 K212 L250 S251 S257 L258L209-E254 HydrophobicContact CD1-CB 4.43Å; L209-E254 HydrophobicContact CD2-CB 4.2Å; L209-E254 VanDerWaalsContact CD2-CD 3.41Å; L209-E254 HydrophobicContact CD2-CG 3.99Å; L209-E254 WeakPolarHBondContact CD2-OE1 3.42Å; K212-E254 IonicContact NZ-OE1 3.77Å; K212-E254 PolarHBondContact NZ-OE1 3.03Å; K212-E254 IonicContact NZ-OE2 3.77Å; K212-E254 PolarHBondContact NZ-OE2 2.61Å; L250-E254 HydrophobicContact CB-CB 4.32Å; L250-E254 HydrophobicContact CD2-CB 4.28Å; S251-E254 PolarHBondContact N-OE2 3.25Å; S251-E254 PolarHBondContact O-N 3.26Å; S251-E254 WeakPolarHBondContact OG-CG 3.37Å; S251-E254 PolarHBondContact OG-N 3.04Å; E254-S257 PolarHBondContact O-N 3.35Å; E254-L258 WeakPolarHBondContact O-CG 3.33Å; E254-L258 PolarHBondContact O-N 2.81Å
255V82.7Confident74.1Confident11 Ų1166.9 Ų66.97%0.06735%0.346CS..Hα-helixtrans-66.7-44.5174.3176.20000111.6L250 S251 E252 S257 L258 H259 L501 M503L250-V255 HydrophobicContact CB-CG2 3.63Å; L250-V255 HydrophobicContact CD1-CG2 3.84Å; L250-V255 HydrophobicContact CG-CG2 4.4Å; S251-V255 WeakPolarHBondContact O-CG2 3.35Å; S251-V255 PolarHBondContact O-N 2.92Å; E252-V255 PolarHBondContact O-N 3.43Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 2.81Å; V255-L258 PolarHBondContact O-N 2.85Å; V255-H259 PolarHBondContact O-CD2 2.87Å; V255-H259 VanDerWaalsContact O-CD2 3.22Å; V255-H259 PolarHBondContact O-N 3.15Å; V255-H259 VanDerWaalsContact O-N 3.12Å; V255-L501 HydrophobicContact CB-CD1 4.45Å; V255-L501 HydrophobicContact CG1-CD1 4.49Å; V255-L501 HydrophobicContact CG2-CD1 4.12Å; V255-M503 HydrophobicContact CG1-CE 3.94Å; V255-M503 HydrophobicContact CG2-CE 3.8Å
256A83.6Confident71.7Confident59 Ų5974.7 Ų74.749%0.48838%0.379SS..Hα-helixtrans-59.4-43176.200000111.7E252 L258 H259 E260E252-A256 VanDerWaalsContact O-CB 3.28Å; E252-A256 WeakPolarHBondContact O-CB 3.32Å; E252-A256 PolarHBondContact O-N 2.62Å; A256-L258 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 3.28Å; A256-H259 PolarHBondContact O-N 3.22Å; A256-E260 PolarHBondContact O-N 3.21Å
257S82.7Confident69.2Low44 Ų4477.5 Ų77.531%0.30840%0.396SS..Hα-helixtrans-58.7-41.9176-57.40000112.2E253 E254 V255 E260 F261E253-S257 WeakPolarHBondContact O-CB 3.23Å; E253-S257 PolarHBondContact O-N 2.83Å; E253-S257 PolarHBondContact O-OG 3.2Å; E254-S257 PolarHBondContact O-N 3.35Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 2.81Å; S257-E260 PolarHBondContact O-N 3.14Å; S257-F261 WeakPolarHBondContact O-CD2 3.37Å
258L82.4Confident67Low2 Ų283.4 Ų83.41%0.0141%0.408CS..Hα-helixtrans-66.7-37.2177.9-68.7169.3000112.5L190 A191 L205 L209 L250 E254 V255 A256 F261 T262 L518L190-L258 HydrophobicContact CD1-CD1 4.49Å; A191-L258 HydrophobicContact CB-CD2 3.94Å; L205-L258 HydrophobicContact CD2-CD2 3.81Å; L209-L258 HydrophobicContact CD1-CD1 3.86Å; L209-L258 HydrophobicContact CD1-CD2 4.12Å; L209-L258 HydrophobicContact CD1-CG 4.13Å; L250-L258 HydrophobicContact CD1-CD1 3.9Å; E254-L258 WeakPolarHBondContact O-CG 3.33Å; E254-L258 PolarHBondContact O-N 2.81Å; V255-L258 PolarHBondContact O-N 2.85Å; A256-L258 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 3.28Å; L258-F261 PolarHBondContact O-N 3.05Å; L258-T262 PolarHBondContact O-N 3.35Å; L258-T262 PolarHBondContact O-OG1 3.29Å; L258-L518 HydrophobicContact CD1-CD2 3.59Å; L258-L518 HydrophobicContact CD1-CG 4.4Å
259H76.1Confident64.4Low87 Ų8789.8 Ų89.840%0.40344%0.442SS..Hα-helixtrans-70.6-28.8176-69.8-54.5000113.3V255 A256 F261 T262V255-H259 PolarHBondContact O-CD2 2.87Å; V255-H259 VanDerWaalsContact O-CD2 3.22Å; V255-H259 PolarHBondContact O-N 3.15Å; V255-H259 VanDerWaalsContact O-N 3.12Å; A256-H259 PolarHBondContact O-N 3.22Å; H259-F261 VanDerWaalsContact C-N 3.29Å; H259-F261 PolarHBondContact O-N 3.11Å; H259-T262 PolarHBondContact O-N 2.67Å
260E66.7Low61.7Low158 Ų15895.6 Ų95.674%0.73847%0.469SS*.Hα-helixtrans-62.7-35174.7-170.8171.4-167.800112.2A256 S257A256-E260 PolarHBondContact O-N 3.21Å; S257-E260 PolarHBondContact O-N 3.14Å
261F55.3Low58.9Low134 Ų134102.7 Ų102.759%0.58850%0.502SS*.THydrogen-bonded Turntrans-90.63.5176.2-57.4-65.3000114.5S257 L258 H259 V263S257-F261 WeakPolarHBondContact O-CD2 3.37Å; L258-F261 PolarHBondContact O-N 3.05Å; H259-F261 VanDerWaalsContact C-N 3.29Å; H259-F261 PolarHBondContact O-N 3.11Å; F261-V263 PolarHBondContact O-N 3.13Å
262T55.3Low56.2Low31 Ų31106.5 Ų106.519%0.1953%0.529CS..SBendtrans-84.1102.7177.7-59.90000110.4L258 H259 E264L258-T262 PolarHBondContact O-N 3.35Å; L258-T262 PolarHBondContact O-OG1 3.29Å; H259-T262 PolarHBondContact O-N 2.67Å; T262-E264 PolarHBondContact O-N 2.94Å; T262-E264 VanDerWaalsContact O-N 3.08Å
263V47.2Very low53.8Low115 Ų115105.5 Ų105.570%0.69754%0.536SS*.  trans-59.1107.5-169.3-179.40000113.7F261 Q265F261-V263 PolarHBondContact O-N 3.13Å; V263-Q265 PolarHBondContact O-N 3.11Å
264E42.4Very low51.2Low151 Ų151102.8 Ų102.871%0.70653%0.534SS*.SBendtrans43.826.3157.7-61.6-162.7136.300118.4T262 K266 T267T262-E264 PolarHBondContact O-N 2.94Å; T262-E264 VanDerWaalsContact O-N 3.08Å; E264-K266 VanDerWaalsContact C-N 3.27Å; E264-K266 PolarHBondContact O-N 3.09Å; E264-T267 PolarHBondContact O-N 3.34Å; E264-T267 PolarHBondContact O-OG1 2.95Å
265Q41.2Very low48.4Very low119 Ų119110.4 Ų110.456%0.55657%0.57SS**Hα-helixtrans-66.8-29.4-174.3-148.5174.326.100112.7V263 T267V263-Q265 PolarHBondContact O-N 3.11Å; Q265-T267 PolarHBondContact O-N 3Å
266K32.8Very low45.7Very low187 Ų187121.1 Ų121.181%0.81361%0.61SS**Hα-helixtrans-65.6-34177.6-80.6177.6176.4167.50113.6E264 R268 L269E264-K266 VanDerWaalsContact C-N 3.27Å; E264-K266 PolarHBondContact O-N 3.09Å; K266-R268 VanDerWaalsContact C-N 3.32Å; K266-R268 PolarHBondContact O-N 2.83Å; K266-L269 PolarHBondContact O-N 3.32Å
267T31.6Very low42.9Very low82 Ų82123.9 Ų123.950%0.50362%0.624SS.*Hα-helixtrans-67.3-33.4-171.8-25.10000112E264 Q265E264-T267 PolarHBondContact O-N 3.34Å; E264-T267 PolarHBondContact O-OG1 2.95Å; Q265-T267 PolarHBondContact O-N 3Å
268R34.6Very low40.5Very low206 Ų206127.3 Ų127.378%0.77765%0.645SS**Hα-helixtrans-80.9-23.5-177.8-67.5-174.8175.7-161.6-3.1114.9K266 Q270K266-R268 VanDerWaalsContact C-N 3.32Å; K266-R268 PolarHBondContact O-N 2.83Å; R268-Q270 PolarHBondContact O-N 2.91Å
269L32.8Very low37.7Very low134 Ų134138.8 Ų138.870%0.70269%0.688SS**Hα-helixtrans-77.6-10.4178.8-71.9172.7000113.3K266 S272K266-L269 PolarHBondContact O-N 3.32Å; L269-S272 PolarHBondContact O-OG 3.29Å
270Q29.3Very low35.2Very low165 Ų165141.2 Ų141.277%0.77170%0.704SS**Hα-helixtrans-97.7-28.9-179.9-164.6163.3-21.300112.9R268R268-Q270 PolarHBondContact O-N 2.91Å
271E26.8Very low33.2Very low148 Ų148143.7 Ų143.769%0.69271%0.707SS**Hα-helixtrans-72.4-26.9175.2-64.3-173.9136.600113S273 S274E271-S273 PolarHBondContact O-N 3Å; E271-S273 VanDerWaalsContact O-N 3.14Å; E271-S274 PolarHBondContact O-OG 2.88Å
272S28.6Very low31.7Very low95 Ų95143.2 Ų143.266%0.66472%0.72SS**THydrogen-bonded Turntrans-73.41.9179.355.50000114.9L269L269-S272 PolarHBondContact O-OG 3.29Å
273S30.9Very low30.3Very low103 Ų103148.1 Ų148.172%0.7275%0.75SS**THydrogen-bonded Turntrans-96.7-7.4-176-149.90000114.6E271 Q275E271-S273 PolarHBondContact O-N 3Å; E271-S273 VanDerWaalsContact O-N 3.14Å; S273-Q275 PolarHBondContact O-N 3.12Å
274S27.8Very low29.8Very low98 Ų98148.3 Ų148.369%0.68575%0.754SS**SBendtrans-93.691.5-174.660.80000114.6E271E271-S274 PolarHBondContact O-OG 2.88Å
275Q26.5Very low29Very low189 Ų189148 Ų14888%0.88376%0.762SS**  trans37.1108.2148.1-62.3-178-500119.8S273S273-Q275 PolarHBondContact O-N 3.12Å
276Y24.7Very low28.2Very low236 Ų236151.8 Ų151.893%0.92577%0.771SS**  trans-83135.7156.9-84.1-92.6000112
277P24.7Very low27.9Very low118 Ų118147.7 Ų147.777%0.76677%0.772SS**  trans-86.8148.2160.634-31.8000111.9
278P32.7Very low27.6Very low115 Ų115149.7 Ų149.775%0.74778%0.776SS**  trans-112.6128.8-170.237.8-30.1000116.5
279W24.6Very low27.4Very low243 Ų243147.5 Ų147.592%0.9278%0.78SS**  trans170.6157147.1-111.9-46.1000108.8
280D23.2Very low27Very low138 Ų138146.2 Ų146.274%0.73879%0.788SS**  cis-146169.9-1-158.52.5000113.7
281R24.9Very low26.8Very low211 Ų211150 Ų15080%0.79680%0.796SS**  trans-86.1129.4-175.2174.1-168.3-60.8-135.1-3112.1
282S23.3Very low26.8Very low123 Ų123148.6 Ų148.686%0.8680%0.797SS**  trans-151.2143.5152.9-81.60000110.9
283T26.3Very low26.7Very low134 Ų134149.2 Ų149.282%0.82280%0.802SS**  trans-93.4166-167.518.10000113.2
284P36.7Very low26.5Very low120 Ų120149.4 Ų149.478%0.77981%0.809SS**  trans-91.7166.2-150.536.3-39.3000115.4
285T24.3Very low26.5Very low144 Ų144151 Ų15188%0.88382%0.815SS**  trans-120.4120.7161.6-56.30000110.3
286R26.3Very low26.4Very low198 Ų198149.7 Ų149.775%0.74781%0.813SS**  trans-52.3135.5176.9167.9-170.4176.3-173.23.6114.2E288R286-E288 HydrophobicContact CG-CG 4.43Å; R286-E288 IonicContact CZ-OE2 3.96Å; R286-E288 IonicContact NE-OE1 2.85Å; R286-E288 IonicContact NE-OE2 3.21Å; R286-E288 PolarHBondContact NE-OE2 2.99Å; R286-E288 IonicContact NH2-OE1 3.65Å; R286-E288 IonicContact NH2-OE2 2.69Å; R286-E288 PolarHBondContact NH2-OE2 3.28Å
287A25.2Very low26.6Very low101 Ų101146.1 Ų146.184%0.83581%0.809SS**  trans-140.6140.7147.600000107.8
288E26.1Very low26.5Very low124 Ų124148.7 Ų148.758%0.57981%0.811SS**  trans-111.1166.8-177.7-73.6157.312900110.4R286R286-E288 HydrophobicContact CG-CG 4.43Å; R286-E288 IonicContact CZ-OE2 3.96Å; R286-E288 IonicContact NE-OE1 2.85Å; R286-E288 IonicContact NE-OE2 3.21Å; R286-E288 PolarHBondContact NE-OE2 2.99Å; R286-E288 IonicContact NH2-OE1 3.65Å; R286-E288 IonicContact NH2-OE2 2.69Å; R286-E288 PolarHBondContact NH2-OE2 3.28Å
289D29Very low26.3Very low161 Ų161149.1 Ų149.186%0.86181%0.813SS**  trans59.8115.6162.9-53.2-33.2000120.1
290A25.1Very low26.3Very low106 Ų106143.7 Ų143.788%0.87681%0.807SS**  179.1116.2115.700000112.3
291W25.6Very low26.8Very low245 Ų245142.5 Ų142.593%0.92881%0.807SS**  trans-105.7110.8167.8178.3-28.3000108.4
292T27.4Very low26.9Very low118 Ų118142 Ų14272%0.72481%0.813SS**  trans176.8141.7141.522.50000115.1
293S26.4Very low27.1Very low108 Ų108144 Ų14476%0.75581%0.814SS**  trans54114.7141.6-53.60000121.2
294A26.5Very low27.2Very low107 Ų107140.8 Ų140.888%0.88481%0.808SS**  trans-128.7118.6149.800000109.1
295T26Very low26.7Very low132 Ų132139.4 Ų139.481%0.8181%0.807SS**  trans-87.8149.5-175.3-48.50000111.4
296I25.6Very low26.8Very low161 Ų161144 Ų14483%0.82681%0.808SS**  trans-62.4136.9172.1-60.4171.8000109.9
297L28.7Very low26.9Very low162 Ų162143 Ų14385%0.84882%0.816SS**  trans-107.9125174.1-87.5164.4000110.6
298E22.3Very low27Very low172 Ų172145.1 Ų145.180%0.80481%0.814SS**  trans-82.3145.9160.9-77.5-149.3133.200111.3
299P29.6Very low27Very low123 Ų123142.9 Ų142.980%0.79982%0.824SS**  trans-92.7130.8169.634.7-30.1000112.1
300T23.5Very low26.9Very low130 Ų130147.1 Ų147.180%0.79883%0.828SS**  trans-124159.6164.722.20000110.6
301P34.2Very low27Very low112 Ų112145.4 Ų145.473%0.72782%0.82SS**  trans-95.9169.9-145.336.9-38.8000115.5
302H27Very low27.2Very low200 Ų200137.9 Ų137.993%0.92681%0.81SS**  trans-123.2165.4163.9-84.8-51.9000112.4
303D26.7Very low27.3Very low165 Ų165140.4 Ų140.488%0.88282%0.819SS**  trans-124162.4-149.717630.3000112.2
304G28.7Very low27.4Very low68 Ų68139 Ų13970%0.70182%0.822SS**  trans169.28317700000119
305A25.7Very low27.4Very low90 Ų90142 Ų14274%0.74482%0.817SS**  trans62.491.5142.100000122
306W27.2Very low27.5Very low241 Ų241142.8 Ų142.891%0.91382%0.816SS**  46.1132.7117.3-80.135.8000122.7
307L27.7Very low27.5Very low176 Ų176142.3 Ų142.392%0.92181%0.814SS**  trans-148.5169.7130.8-110.8177.4000111.9
308N27.8Very low27.3Very low147 Ų147138.1 Ų138.179%0.78681%0.81SS**  trans-91.6152.4-158.3-117.4-56.8000116.2
309G26.1Very low27.5Very low76 Ų76137.8 Ų137.878%0.78481%0.808SS**  trans-166.7121.3169.900000113.1
310R28.2Very low27.3Very low251 Ų251140.7 Ų140.795%0.94781%0.811SS**  trans-105.5137.6-163.4165.8-168.3-83.4-100.52.9114.7
311G26Very low27.4Very low70 Ų70141.3 Ų141.372%0.72281%0.805SS**  trans115.8157.414700000116.2
312A29.9Very low26.9Very low86 Ų86145 Ų14571%0.71181%0.813SS**  cis-167.8146.6-18.900000109.6
313D30.2Very low26.8Very low171 Ų171143 Ų14391%0.91480%0.803SS**  trans55.9136.8158.4-48.8-31.7000122
314G27.7Very low26.7Very low79 Ų79144.5 Ų144.581%0.81481%0.805SS**  trans158.999.517000000115
315H26.7Very low26.5Very low170 Ų170146.3 Ų146.379%0.78781%0.813SS**  trans-98139.7-172.3-86.7-92000115.3
316L27.4Very low26.4Very low148 Ų148147.1 Ų147.178%0.77582%0.82SS**  trans60.6167.3140.5-58.3171000117
317L26.6Very low26.3Very low151 Ų151140.3 Ų140.379%0.79182%0.815SS**  cis-154.9158.2-4.1-132.7164.3000107.4
318G24.1Very low26.3Very low74 Ų74137.1 Ų137.176%0.76381%0.814SS**  trans174.3111.9170.100000114.4
319H25.5Very low26.1Very low166 Ų166133.5 Ų133.577%0.76981%0.811SS**  trans-111.6147.8176.3-119.5-97.7000109.8
320E25.8Very low26.2Very low183 Ų183137.7 Ų137.786%0.85582%0.815SS**  trans161.4105.5140.3-90.3167.6-173.600107.5
321Q25.3Very low25.9Very low143 Ų143131.2 Ų131.267%0.66881%0.807SS**  86.3102.758-173171.6-0.200112.7
322Q24.5Very low25.9Very low191 Ų191132.3 Ų132.389%0.89381%0.809SS**  trans-138.2126166.4-17369.658.700107.5
323E24Very low25.6Very low156 Ų156134.7 Ų134.773%0.72982%0.815SS**  trans-90.7164.5-167.8-64.6-174.8124.800114.7
324H24.6Very low25.4Very low198 Ų198131.5 Ų131.592%0.91781%0.812SS**  trans-82.4149.2179.9-58.4-94.3000113.4
325A25.6Very low25.3Very low105 Ų105133.4 Ų133.487%0.86881%0.812SS**  trans-149.4147.5149.100000109.6
326A24.1Very low25.2Very low108 Ų108128.8 Ų128.889%0.89381%0.81SS**  trans-149.4140.3-173.500000114.1
327A25.4Very low25.4Very low98 Ų98128.4 Ų128.481%0.8182%0.816SS**  trans-169.9134154.400000106.8
328A26.6Very low25.2Very low108 Ų108124.7 Ų124.789%0.89382%0.815SS**  cis78.711227.700000115.1
329G24.8Very low25.3Very low71 Ų71127.2 Ų127.273%0.73282%0.821SS**  trans140.790.1155.400000120
330L26.3Very low25.2Very low165 Ų165122.6 Ų122.686%0.86482%0.818SS**  trans53.7109.6131.4-59.5170.8000122.9
331C23.6Very low25.2Very low115 Ų115119.7 Ų119.778%0.77782%0.817SS**  46114.4119-59.40000123.5
332A24.3Very low25.1Very low92 Ų92119.1 Ų119.176%0.7683%0.83SS**  85.2162.6117.400000122.3
333T24.8Very low25Very low137 Ų137115.6 Ų115.684%0.8483%0.826SS**  trans79.9111174.3-23.70000116.5
334A25.1Very low25Very low103 Ų103114.2 Ų114.285%0.85183%0.833SS**  trans-129.3115.7169.200000109.7
335C26Very low25Very low120 Ų120110.1 Ų110.181%0.81183%0.827SS**  trans-109.2142.6169.1-70.50000109.1
336G24.3Very low24.9Very low73 Ų73113.5 Ų113.575%0.75383%0.83SS**  trans-67.9167.9169.900000112.4
337P31.9Very low25Very low140 Ų140117.4 Ų117.491%0.90983%0.83SS**  -131.7166.3100.638.2-31.8000113.1
338G22.3Very low25Very low73 Ų73121.6 Ų121.675%0.75383%0.832SS**  trans-134.8158.5179.400000114.2
339S26.9Very low24.8Very low127 Ų127125 Ų12589%0.88883%0.83SS**  trans-166.8137.8161.5-73.90000104.4
340G23.1Very low24.8Very low69 Ų69129.7 Ų129.771%0.71184%0.837SS**  cis96.2122.841.600000107.9
341S25.9Very low24.6Very low121 Ų121125.3 Ų125.385%0.84683%0.832SS**  cis-160.6158.84.5-60.80000110.2
342S23.8Very low24.6Very low132 Ų132129.9 Ų129.992%0.92384%0.839SS**  trans-166.8143.9151.7-86.70000111.5
343S22.5Very low24.6Very low116 Ų116130.6 Ų130.681%0.81184%0.838SS**  trans-135.8133.3-175.257.10000111.1
344S23.1Very low24.7Very low127 Ų127132.9 Ų132.989%0.88884%0.839SS**  trans-165.2145.1147.541.30000111
345S23.9Very low24.8Very low113 Ų113136.5 Ų136.579%0.7984%0.839SS**  trans-87.6142.6172.452.10000111.1
346L24.9Very low24.7Very low176 Ų176139.2 Ų139.292%0.92184%0.839SS**  trans-142.8142148-96.5177.4000109.8
347Q24.8Very low25Very low190 Ų190142.9 Ų142.989%0.88884%0.841SS**  trans-77.7145.3165.2-63.6159.8-8700108.5
348Q24.9Very low24.6Very low185 Ų185142.2 Ų142.286%0.86483%0.83SS**  trans-146.3128.6151.7-165154.515.800110.4
349E23.8Very low25.3Very low181 Ų181145.1 Ų145.185%0.84683%0.828SS**  trans-71.8145.1171.1-58.9172.6129.100109.7
350L25.3Very low25.5Very low169 Ų169143 Ų14389%0.88581%0.813SS**  trans-123.391160.2-78.6171.5000107.5
351G21.2Very low25.9Very low73 Ų73148.9 Ų148.975%0.75382%0.822SS**  trans-67138.8173.500000110.7S353G351-S353 PolarHBondContact O-N 2.94Å
352F23.5Very low26.3Very low210 Ų210149.6 Ų149.692%0.92182%0.815SS**  trans-69.8116170.2-70.6-86.9000109Q354F352-Q354 PolarHBondContact O-N 3.26Å; F352-Q354 VanDerWaalsContact O-N 3.17Å
353S24.7Very low26.5Very low108 Ų108151.4 Ų151.476%0.75581%0.808SS**  trans-66.6111.3170.650.30000109.4G351 E355G351-S353 PolarHBondContact O-N 2.94Å; S353-E355 PolarHBondContact O-N 3.36Å
354Q26.9Very low26.9Very low184 Ų184153.2 Ų153.286%0.8681%0.807SS**  trans-71.394.5176.6178.6177.4-25.100109.7F352F352-Q354 PolarHBondContact O-N 3.26Å; F352-Q354 VanDerWaalsContact O-N 3.17Å
355E26.2Very low27.1Very low179 Ų179152.2 Ų152.284%0.83680%0.8SS**  trans-84.6117.8165-79.6-167.314300110.1S353 L357S353-E355 PolarHBondContact O-N 3.36Å; E355-L357 PolarHBondContact O-N 3.14Å
356E25.3Very low27.3Very low177 Ų177156.3 Ų156.383%0.82781%0.807SS**  trans-75.5112.6-177-172.7166.3-15500109.8D358E356-D358 PolarHBondContact O-N 3.29Å
357L30Very low27.5Very low151 Ų151152.6 Ų152.679%0.79180%0.802SS**  trans-75.994.5173.4-74.5175.8000109.3E355 L359E355-L357 PolarHBondContact O-N 3.14Å; L357-L359 PolarHBondContact O-N 2.99Å
358D24.4Very low27.6Very low126 Ų126153.1 Ų153.167%0.67480%0.804SS**  trans-57.4121.6170.8-170.4-17.5000110.4E356 S360E356-D358 PolarHBondContact O-N 3.29Å; D358-S360 WeakPolarHBondContact OD1-CB 3.41Å; D358-S360 PolarHBondContact OD1-N 3.22Å; D358-S360 PolarHBondContact OD1-OG 3.06Å
359L37.2Very low27.7Very low134 Ų134153.2 Ų153.270%0.70281%0.805SS**  trans-119.327.2-177.5-72.4175.6000112.3L357 E361L357-L359 PolarHBondContact O-N 2.99Å; L359-E361 PolarHBondContact O-N 2.88Å; L359-E361 VanDerWaalsContact O-N 3.14Å
360S30.6Very low27.8Very low83 Ų83147.8 Ų147.858%0.5879%0.791SS**  trans-64.5-10.8-178.149.30000116D358D358-S360 WeakPolarHBondContact OD1-CB 3.41Å; D358-S360 PolarHBondContact OD1-N 3.22Å; D358-S360 PolarHBondContact OD1-OG 3.06Å
361E31.8Very low27.8Very low191 Ų191149.5 Ų149.589%0.89379%0.791SS**  trans-99.745.3179.1-67.3-158.6140.300115.5L359L359-E361 PolarHBondContact O-N 2.88Å; L359-E361 VanDerWaalsContact O-N 3.14Å
362I33.8Very low27.9Very low137 Ų137151.6 Ų151.670%0.70379%0.794SS**  trans-125.154.4163-41.5-177.9000111
363H27.4Very low28.3Very low170 Ų170147.5 Ų147.579%0.78779%0.789SS**  trans-81.8121.5166.2-10288.9000111
364I32Very low28.4Very low154 Ų154146.6 Ų146.679%0.7979%0.788SS**  trans-117.5118.3155.7-63.1177.7000105E366I364-E366 PolarHBondContact O-N 3.32Å
365S27.3Very low28.7Very low106 Ų106144.1 Ų144.174%0.74179%0.788SS**  trans-68.6123.9-171.7-49.10000111.8
366E27.8Very low28.5Very low198 Ų198140.4 Ų140.493%0.92579%0.788SS**  trans-65.1141.4155.9-69.9-174.5120.800109.3I364I364-E366 PolarHBondContact O-N 3.32Å
367A27.8Very low28.6Very low99 Ų99140.3 Ų140.382%0.81879%0.792SS**  trans-131.7116.5172.700000108.1
368Q28Very low28.4Very low200 Ų200136.6 Ų136.694%0.93579%0.79SS**  trans-144.4135168.1-140.9167.915.800112
369E27.6Very low28.4Very low188 Ų188137.4 Ų137.488%0.87979%0.794SS**  trans-78.5165.2176.4-50.9172.5107.500109.4
370A25.6Very low28.1Very low67 Ų67140.3 Ų140.355%0.55480%0.804SS**  cis-162.7-170.5600000111.7
371F24.9Very low27.8Very low205 Ų205145.1 Ų145.190%0.89982%0.818SS**  trans96.4147.4159.4-55.3-68.4000118.9
372S23.1Very low27.7Very low116 Ų116140.6 Ų140.681%0.81181%0.813SS**  trans-124.9-175.3-161.2-29.80000109.5
373P32.8Very low27.4Very low124 Ų124139.1 Ų139.181%0.80581%0.81SS**  cis-137.2174.338.140.2-20.6000116.7
374A26.7Very low27.5Very low89 Ų89139.9 Ų139.974%0.73681%0.811SS**  trans-82.4168.2169.400000112.5
375P31.8Very low27.2Very low133 Ų133138.4 Ų138.486%0.86481%0.81SS**  -124179.511737.2-33.3000112.8
376A23.3Very low27.1Very low100 Ų100137.6 Ų137.683%0.82680%0.804SS**  trans-121.2-166.8-160.800000114.3
377L26.6Very low27.1Very low176 Ų176135.6 Ų135.692%0.92180%0.795SS**  trans96.4130.8162.7-14878.9000116.7
378G25.8Very low27.2Very low73 Ų73139.2 Ų139.275%0.75379%0.794SS**  trans15466172.900000115.4
379D25.2Very low27Very low142 Ų142133.7 Ų133.776%0.75978%0.783SS**  trans-68.2146.9170.6-58.3-79.8000112.5
380Q29.4Very low27.3Very low195 Ų195130.2 Ų130.291%0.91178%0.777SS**  trans-154.6150.1135.4-128.2144.8114.400113.3
381E24.8Very low27.2Very low184 Ų184133.7 Ų133.786%0.8679%0.791SS**  trans-94.7-171.5-169-56.5170.187.900112.8
382A29.6Very low27.5Very low96 Ų96130 Ų13079%0.79378%0.781SS**  trans89.8137.1145.900000119.9
383V28.6Very low28.1Very low107 Ų107130.6 Ų130.665%0.64878%0.781SS**  cis-165.3152.2-21.778.10000111.5
384F28.3Very low28Very low185 Ų185132 Ų13281%0.81178%0.777SS**  trans60156.8162.5-61.1-48.6000118.3
385T27.1Very low28Very low124 Ų124135.2 Ų135.276%0.76178%0.782SS**  cis-143.215910.1-26.30000112.7
386S24.1Very low27.9Very low88 Ų88135.9 Ų135.962%0.61578%0.784SS**  trans-53.4157.5164.8-157.30000111.9
387H28.5Very low28.2Very low157 Ų157135.3 Ų135.373%0.72778%0.779SS**  -161.3137.161.2-86.9-91.3000116.9
388Q28.8Very low28.1Very low174 Ų174133.1 Ų133.181%0.81377%0.773SS**  trans72.5111.4131.8-163.4162.32.400120.9
389A24.8Very low28.1Very low85 Ų85136 Ų13670%0.70278%0.779SS**  trans-80.5174.8162.400000112.5
390P33.3Very low28.2Very low114 Ų114134 Ų13474%0.7478%0.777SS**  -143.2157.7111.538.9-26.9000117.2
391T24.6Very low28Very low140 Ų140130.5 Ų130.586%0.85977%0.773SS**  trans70.7115.8152.941.60000121.6
392L31.3Very low28.1Very low129 Ų129129.8 Ų129.868%0.67577%0.774SS**  trans-70176.6160.9-129.777.3000111.4E394L392-E394 HydrophobicContact CD1-CG 4.39Å; L392-E394 HydrophobicContact CD2-CB 4.47Å; L392-E394 HydrophobicContact CD2-CG 3.92Å; L392-E394 HydrophobicContact CG-CG 4.08Å
393P35.9Very low27.8Very low127 Ų127132.7 Ų132.783%0.82578%0.776SS**  cis-126153.74828.8-9.3000116.9
394E28.9Very low28.1Very low154 Ų154133 Ų13372%0.7278%0.78SS**  trans-84.8150164.9-61.1163.2131.200109.8L392L392-E394 HydrophobicContact CD1-CG 4.39Å; L392-E394 HydrophobicContact CD2-CB 4.47Å; L392-E394 HydrophobicContact CD2-CG 3.92Å; L392-E394 HydrophobicContact CG-CG 4.08Å
395D27.1Very low28Very low157 Ų157130 Ų13084%0.8478%0.782SS**  trans-171.8114.4134.9-119.5-25.8000111
396T30.3Very low28.6Very low146 Ų146129.7 Ų129.790%0.89678%0.782SS**  trans-155.8106159.2-59.30000108.2
397A28.7Very low28.6Very low88 Ų88132.5 Ų132.573%0.72779%0.79SS**  trans-76.2151.7-170.200000113.9
398V26.2Very low28.5Very low131 Ų131132.3 Ų132.379%0.79479%0.789SS**  trans-63.2139.5167.7175.90000110.3
399C24.4Very low28.5Very low132 Ų132134.2 Ų134.289%0.89279%0.789SS**  trans-112.3112.1160.1-83.30000109.4
400S27.6Very low28.6Very low100 Ų100136.8 Ų136.870%0.69979%0.79SS**  trans-86.6150.9178.248.60000112.4
401C25.8Very low28.5Very low123 Ų123137.3 Ų137.383%0.83179%0.793SS**  trans-63150.9173.5-52.50000111.8
402L26.7Very low28.7Very low168 Ų168138.4 Ų138.488%0.8879%0.789SS**  trans-138.4125.6165.4-73.1176.8000109.9
403D23.2Very low28.5Very low157 Ų157137.6 Ų137.684%0.8479%0.794SS**  trans-81.6157.6170.5-85.7-59.9000111.9
404P33.8Very low28.1Very low113 Ų113143.2 Ų143.273%0.73480%0.799SS**  trans-88.3135.4-17633.7-33.9000113.4
405S27.2Very low27.9Very low123 Ų123139.2 Ų139.286%0.8680%0.799SS**  trans-157.6154.5154.9-87.60000112.3
406P40.5Very low27.9Very low117 Ų117139.6 Ų139.676%0.7680%0.8SS**  trans-104.2160.6-161.139.2-35.2000114.7
407L24.2Very low27.8Very low148 Ų148141.1 Ų141.178%0.77580%0.797SS**  trans-156.4161.9149.4-142.882.2000112.8
408E25.6Very low27.6Very low153 Ų153147.7 Ų147.772%0.71580%0.803SS**  trans-79.8149.8176.9-40.1143.210300112.1
409R27.7Very low27.7Very low214 Ų214148.4 Ų148.481%0.80880%0.802SS**  -174.4162.3104.8-111.7163.9-80.9160.5-7.6116
410L27.1Very low27.7Very low138 Ų138147.1 Ų147.172%0.72379%0.79SS**  trans-72.4162.7171.2-147.773.9000111.8E412L410-E412 HydrophobicContact CD2-CG 3.69Å
411P31.8Very low27.6Very low125 Ų125149.2 Ų149.281%0.81279%0.793SS**  -136.3162116.438.3-29.7000114.5
412E28Very low28Very low163 Ų163150.9 Ų150.976%0.76279%0.793SS**  trans-102.9172.6178.7-60.5-170.9119.700113.7L410L410-E412 HydrophobicContact CD2-CG 3.69Å
413S29Very low28.8Very low113 Ų113148.1 Ų148.179%0.7979%0.785SS**  trans82.9144.4154.783.30000118.1
414R26.7Very low29.1Very low244 Ų244147.8 Ų147.892%0.92178%0.782SS**  cis-167.6137.4-14160.4-171.9-65.6-151.91.1112.2
415G24.2Very low28.6Very low70 Ų70147.4 Ų147.472%0.72278%0.782SS**  trans83.1168.9151.900000117.8
416L27.5Very low28.6Very low166 Ų166148.6 Ų148.687%0.86978%0.779SS**  cis-166157.3-18.8-178.362.4000109.2
417E27.2Very low28Very low178 Ų178146.6 Ų146.683%0.83278%0.78SS**  trans116.7120.1172-67.6171.9177.400112
418R26.1Very low28.3Very low226 Ų226148.7 Ų148.785%0.85379%0.785SS**  cis77.5108.638.5-150.8-172-172-175.12.9110.9
419L27.7Very low28.3Very low146 Ų146146.9 Ų146.976%0.76479%0.785SS**  -157-176.180.5-95165.5000115.2
420T25.2Very low28.3Very low104 Ų104145.3 Ų145.364%0.63879%0.787SS**  trans-59.1170.5-174.847.20000115.4
421D25.4Very low28.7Very low144 Ų144145.1 Ų145.177%0.7779%0.791SS**  cis-153.1162.545.4-87.8-73.7000117.7
422L33Very low29.1Very low158 Ų158145.5 Ų145.583%0.82779%0.793SS**  trans-145.4141.2167.2-86173.7000109
423P44Very low29.1Very low111 Ų111140.7 Ų140.772%0.72179%0.788SS**  -144.6128.4122.523.9-3.1000114.3
424I28.5Very low28.9Very low149 Ų149144 Ų14476%0.76479%0.793SS**  79.8118.489.9-65.4162000115.9
425S24.6Very low29Very low105 Ų105139.2 Ų139.273%0.73479%0.786SS**  -165.3112.3127.8-165.10000113.1
426N27.6Very low29.8Very low148 Ų148141.6 Ų141.679%0.79179%0.788SS**  trans20.7131.5141.9-46.9-32.9000119.5
427G28Very low30.2Very low76 Ų76141.1 Ų141.178%0.78479%0.786SS**  cis-177-163.25.400000110.2
428Q28.9Very low30.6Very low191 Ų191138.9 Ų138.989%0.89379%0.787SS**  cis-160.3-154.6-0.5-141.1-174.420.700112.1
429T26.3Very low30.7Very low116 Ų116139.8 Ų139.871%0.71279%0.79SS**  trans-55.2152.9-179.8-2.40000115.5
430Q28.4Very low30.7Very low180 Ų180144.6 Ų144.684%0.84180%0.798SS**  cis-150.4152.438.3-58.3175.110.500115
431V34.5Very low30.8Very low134 Ų134145 Ų14581%0.81281%0.805SS**  trans-151135.7166-174.70000108.4
432P41.2Very low31Very low133 Ų133143.4 Ų143.486%0.86481%0.805SS**  -145.8156.9110.137-21.4000114.2
433G26.2Very low30.8Very low62 Ų62147.2 Ų147.264%0.63981%0.809SS**  cis162.7-172.7-5.600000113.2
434M26.6Very low30.5Very low184 Ų184147.5 Ų147.591%0.90681%0.81SS**  trans84.4102.2165.5-58.2-10654.700120.1
435D28.2Very low30.5Very low143 Ų143145.2 Ų145.277%0.76581%0.814SS**  trans-59.5177.7153.5-75.9-68000113.9
436P40.7Very low30.5Very low119 Ų119146.9 Ų146.977%0.77382%0.819SS**  cis-145.9-176.822.142.7-21.1000119.9
437L35.4Very low30.9Very low156 Ų156147.5 Ų147.582%0.81782%0.822SS**  trans-62.2167.4170.8-57.5167000114.8
438P37.1Very low31.3Very low131 Ų131149.5 Ų149.585%0.85182%0.821SS**  -142.6-172.1115.238.2-23.9000116.4
439R26.8Very low32Very low246 Ų246145.9 Ų145.993%0.92881%0.814SS**  trans-100.3166.6-167.9-72.6174.9164.6-179.3-4.3115.5
440R28.1Very low32.1Very low247 Ų247149 Ų14993%0.93282%0.82SS**  trans-14.4135.7156.5-68.1177.7170.3-178.8-3.6117.3
441S27.3Very low32.1Very low112 Ų112147.7 Ų147.778%0.78382%0.819SS**  -169.8138127.4-160.20000114.5
442S30.1Very low32.8Very low110 Ų110147 Ų14777%0.76982%0.818SS**  trans30.8139.2146.1-54.10000126.1
443R28.2Very low31.9Very low239 Ų239144.4 Ų144.490%0.90282%0.815SS**  trans-28.6170.3152.8-67.5176.9172.3-175.9-3.1118
444P37.3Very low32.1Very low116 Ų116145.8 Ų145.875%0.75382%0.82SS**  cis-131.8-178.7-33.337.5-20.5000112.5
445A28.7Very low32.1Very low102 Ų102145 Ų14584%0.84382%0.815SS**  trans-98.6143.5177.500000113.9
446V26Very low32Very low140 Ų140144.7 Ų144.785%0.84881%0.808SS**  trans-136.2152171.71750000108.5
447L33.9Very low31.2Very low161 Ų161147.1 Ų147.184%0.84380%0.803SS**  trans-78.1147.6-172.7-68.3166000114.1
448P37Very low30.9Very low118 Ų118149.1 Ų149.177%0.76680%0.8SS**  trans-86.3168.6173.435.6-34.8000113.9
449P44.8Very low30.3Very low115 Ų115150.4 Ų150.475%0.74780%0.8SS**  trans-133.5-159.7-144.341.3-22.8000116.2
450Q27.7Very low30.3Very low180 Ų180142.1 Ų142.184%0.84179%0.791SS**  trans122.588153.4-61.5-168.3-72.500118.1
451D28.9Very low30.3Very low154 Ų154135.1 Ų135.182%0.82478%0.779SS**  28.1160.6100.6-81.715.8000122
452P47.9Very low30.4Very low120 Ų120137.5 Ų137.578%0.77978%0.778SS**  cis-143.8172.1-16.135.7-15.8000117.7
453G23.3Very low30.2Very low78 Ų78139.1 Ų139.180%0.80477%0.773SS**  trans96163.414900000117.9
454A29.2Very low30.1Very low91 Ų91134.1 Ų134.175%0.75276%0.76SS**  cis-171.1157.5-20.200000108.8
455E27.1Very low29.6Very low168 Ų168138.2 Ų138.279%0.78576%0.76SS**  trans64.4161.5170.5-54.8-155.5129.500117
456Q27.3Very low29.6Very low135 Ų135138.5 Ų138.563%0.63176%0.756SS**  cis-158.5166.2-30-108.7-168.154.500109.1
457Y24Very low29.6Very low171 Ų171136.4 Ų136.467%0.67175%0.754SS**  trans71.3121.4153.9-98.2-116.1000123.2
458R27.6Very low29.3Very low198 Ų198136.8 Ų136.875%0.74776%0.756SS**  trans63.4127.5130.4-88-163.1-164172.86.6124.4
459D25Very low28.8Very low158 Ų158135.1 Ų135.185%0.84575%0.752SS**  79.3155.6122.7-155.710.6000119
460G27.1Very low28Very low72 Ų72134.5 Ų134.574%0.74275%0.749SS**  trans124.795.9178.400000115.2
461S28.1Very low28Very low99 Ų99131.7 Ų131.769%0.69275%0.745SS**  trans-91.2140.9176.355.90000114.2
462H28.6Very low28Very low162 Ų162131.2 Ų131.275%0.7574%0.741SS**  trans166.3125.4136.9-93.1-70.3000107.5
463E27.1Very low27Very low145 Ų145136.1 Ų136.168%0.67875%0.746SS**  cis75.198.538.2-162.6-141-129.900114.4
464H26Very low27.1Very low133 Ų133138.5 Ų138.562%0.61675%0.75SS**  trans159.5147.8149-94.752.2000109.7
465R26.9Very low27Very low202 Ų202137.6 Ų137.676%0.76275%0.749SS**  cis-167.5167.8-25.1-136.4179.9-177145.3-6109.4
466S28.1Very low27Very low109 Ų109137.1 Ų137.176%0.76275%0.752SS**  trans66.3113.5171.6-53.50000116.2
467A25.6Very low27.1Very low96 Ų96136.3 Ų136.379%0.79376%0.762SS**  cis81.7120.91400000117.8
468L27.8Very low27.5Very low169 Ų169140 Ų14089%0.88577%0.774SS**  trans172.4115.8158.2-94.1164.1000105.2
469A27.5Very low27.4Very low83 Ų83134 Ų13469%0.68677%0.774SS**  cis71.9136.123.500000113.8
470C26.4Very low28.7Very low101 Ų101132.7 Ų132.768%0.68278%0.775SS**  cis-126.6172.6-1.5-63.40000109.7
471T29Very low28.7Very low122 Ų122134.9 Ų134.975%0.74878%0.778SS**  cis79.1156.616.863.90000119.3
472L28.2Very low29.2Very low144 Ų144136.7 Ų136.775%0.75479%0.785SS**  trans108.9104.2167.5-51.9165.3000115.4
473Y26.9Very low29.5Very low222 Ų222134.7 Ų134.787%0.87179%0.787SS**  83.2123.469-80.7-67.2000116.8
474S26.8Very low29.8Very low128 Ų128132 Ų13290%0.89579%0.789SS**  trans-177.8146.5138.2-165.20000108.8
475G25.7Very low30.2Very low72 Ų72133 Ų13374%0.74280%0.799SS**  cis-163.9-179.61.600000111.8
476D27.7Very low30.5Very low158 Ų158135.1 Ų135.185%0.84581%0.807SS**  trans-99.6151.9-158.7-155.7-6000115.1
477S29.8Very low30.8Very low119 Ų119137.6 Ų137.683%0.83281%0.81SS**  trans-164.7155.4156.660.40000112.2
478R31.8Very low30.9Very low248 Ų248135.5 Ų135.594%0.93680%0.798SS**  trans-141.2119.7-148.2-175.5-168.9-165.3-168.48.1113.8
479G26.2Very low31.6Very low72 Ų72134.5 Ų134.574%0.74279%0.787SS**  trans171.9141.7170.400000113.2
480P51.8Low31.5Very low131 Ų131135.1 Ų135.185%0.85179%0.792SS**  trans-120.1146.6-164.439.7-28000116.5
481S27.8Very low31.8Very low117 Ų117134.7 Ų134.782%0.81879%0.788SS**  trans-158.7118.1151.844.90000111.7
482T37.3Very low31.7Very low138 Ų138133.7 Ų133.785%0.84779%0.786SS**  trans-78.9150.2166.1-8.30000110
483P35.1Very low31.9Very low120 Ų120132.6 Ų132.678%0.77979%0.787SS**  -122.3167.6120.935.1-31.9000112.4
484A32.7Very low32.3Very low88 Ų88126.1 Ų126.173%0.72778%0.78SS**  trans-81.1178.9-171.100000114.1
485D34.9Very low33Very low153 Ų153121.3 Ų121.382%0.81875%0.75SS**  trans51.684.1168-64.9-11.2000117.6
486R33.1Very low34.1Very low247 Ų247122 Ų12293%0.93274%0.742SS**  trans-113.295.6139.7-76.6-170.3171-147.4-3.8109.9G488R486-G488 PolarHBondContact O-N 3.31Å
487I34Very low35.2Very low162 Ų162116.7 Ų116.783%0.83171%0.71SS**  trans-67.790.6147.4-61.3179.9000105.2F489I487-F489 PolarHBondContact O-N 2.83Å
488G28.6Very low36.2Very low52 Ų52114.7 Ų114.754%0.53670%0.701SS.*  trans-62.4135.2177.800000109.9R486 A490R486-G488 PolarHBondContact O-N 3.31Å; G488-A490 PolarHBondContact O-N 3Å
489F41.6Very low37.8Very low148 Ų148104 Ų10465%0.64967%0.668SS**  trans-56.5111.1167.8-74-117.4000107.8R62 I487 P491R62-F489 VanDerWaalsContact NH1-CE1 3.31Å; I487-F489 PolarHBondContact O-N 2.83Å; F489-P491 WeakPolarHBondContact O-CD 3.44Å
490A26.7Very low40.4Very low96 Ų96101.9 Ų101.979%0.79364%0.639SS**  trans-100.682.8167.500000107.4G488 S492G488-A490 PolarHBondContact O-N 3Å; A490-S492 PolarHBondContact O-N 2.76Å
491P32Very low41.8Very low91 Ų9198.9 Ų98.959%0.59162%0.616SS**  trans-61.2130.1172.627.5-33.9000108.5F489 P493F489-P491 WeakPolarHBondContact O-CD 3.44Å; P491-P493 WeakPolarHBondContact O-CD 3.49Å
492S27.6Very low44.5Very low102 Ų10296.2 Ų96.271%0.71360%0.596SS**  trans-63.3120.9165.1-176.60000107.3A490 A494A490-S492 PolarHBondContact O-N 2.76Å; S492-A494 PolarHBondContact O-N 3.35Å; S492-A494 VanDerWaalsContact O-N 3.09Å
493P31.2Very low46.8Very low120 Ų12090.5 Ų90.578%0.77956%0.559SS**SBendtrans-74-0.3-170.729.8-35.9000113.9P491 G495P491-P493 WeakPolarHBondContact O-CD 3.49Å; P493-G495 PolarHBondContact O-N 3.4Å
494A35.4Very low49.3Very low87 Ų8785 Ų8572%0.71952%0.523SS*.  trans-91.264.3-177.700000112.5S492S492-A494 PolarHBondContact O-N 3.35Å; S492-A494 VanDerWaalsContact O-N 3.09Å
495G42.5Very low51.9Low26 Ų2680.8 Ų80.827%0.26849%0.489SS..  trans-77145.4158.200000110.1P493 Y497 A498P493-G495 PolarHBondContact O-N 3.4Å; G495-Y497 PolarHBondContact O-N 3.43Å; G495-A498 WeakPolarHBondContact O-CB 3.43Å; G495-A498 PolarHBondContact O-N 3.05Å; G495-A498 VanDerWaalsContact O-N 3.09Å
496P48.1Very low54.4Low88 Ų8873.6 Ų73.657%0.57145%0.45SS*.THydrogen-bonded Turntrans-66-6.7-175.227.3-35000114.4
497Y50.5Low56.9Low45 Ų4562.7 Ų62.718%0.17641%0.411CS..THydrogen-bonded Turntrans-110.211.2178.5-53.2-68.4000113.5D87 I113 H117 G495 G499 L500D87-Y497 WeakPolarHBondContact OD2-CD2 3.49Å; I113-Y497 HydrophobicContact CG2-CD2 4.37Å; I113-Y497 HydrophobicContact CG2-CE2 3.66Å; H117-Y497 AromaticContact CE1-CD1 3.98Å; H117-Y497 AromaticContact CE1-CD2 3.4Å; H117-Y497 VanDerWaalsContact CE1-CD2 3.4Å; H117-Y497 WeakPolarHBondContact CE1-CD2 3.5Å; H117-Y497 AromaticContact CE1-CE2 3.97Å; H117-Y497 AromaticContact CE1-CG 3.4Å; H117-Y497 AromaticContact ND1-CD1 3.21Å; H117-Y497 WeakPolarHBondContact ND1-CD1 3.29Å; H117-Y497 AromaticContact ND1-CD2 3.47Å; H117-Y497 WeakPolarHBondContact ND1-CD2 3.27Å; H117-Y497 AromaticContact ND1-CE1 3.63Å; H117-Y497 AromaticContact ND1-CE2 3.86Å; H117-Y497 AromaticContact ND1-CG 3.12Å; H117-Y497 AromaticContact ND1-CZ 3.94Å; G495-Y497 PolarHBondContact O-N 3.43Å; Y497-G499 VanDerWaalsContact C-N 3.35Å; Y497-L500 WeakPolarHBondContact O-CG 3.49Å
498A50.8Low59.5Low78 Ų7855 Ų5565%0.64537%0.372SS*.SBendtrans-71.9-26.9175.700000113.3G495G495-A498 WeakPolarHBondContact O-CB 3.43Å; G495-A498 PolarHBondContact O-N 3.05Å; G495-A498 VanDerWaalsContact O-N 3.09Å
499G65.6Low62.1Low23 Ų2354.3 Ų54.324%0.23736%0.358CS..SBendtrans-105.166.5175.900000112.2E252 Y497E252-G499 PolarHBondContact N-O 2.83Å; Y497-G499 VanDerWaalsContact C-N 3.35Å
500L81.5Confident64.1Low28 Ų2847.6 Ų47.615%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-96.3116.5174.8-78.8174.7000110.8H117 P122 F249 L250 Y497H117-L500 HydrophobicContact CB-CD1 3.93Å; P122-L500 HydrophobicContact CG-CB 4.44Å; P122-L500 HydrophobicContact CG-CD1 3.97Å; F249-L500 HydrophobicContact CB-CB 4.32Å; F249-L500 HydrophobicContact CB-CD2 4.41Å; L250-L500 CarbonylContact O-C 3.4Å; L250-L500 WeakPolarHBondContact O-CA 3.28Å; Y497-L500 WeakPolarHBondContact O-CG 3.49Å
501L81.9Confident66.4Low67 Ų6748.4 Ų48.435%0.35132%0.321SS..EExtended strand (participates in β ladder)trans-95.9133.5-178-63.9175.7000111.3F249 L250 E252 V255F249-L501 WeakPolarHBondContact CA-O 3.32Å; L250-L501 PolarHBondContact N-O 3.08Å; L250-L501 PolarHBondContact O-N 2.83Å; E252-L501 HydrophobicContact CG-CD1 4.14Å; E252-L501 HydrophobicContact CG-CG 4.42Å; V255-L501 HydrophobicContact CB-CD1 4.45Å; V255-L501 HydrophobicContact CG1-CD1 4.49Å; V255-L501 HydrophobicContact CG2-CD1 4.12Å
502P83.8Confident68.4Low61 Ų6145 Ų4540%0.39630%0.302SS..EExtended strand (participates in β ladder)trans-74.1137.6176.831.4-34.5000111.7F249F249-P502 HydrophobicContact CD1-CB 4.28Å; F249-P502 HydrophobicContact CE1-CB 4.19Å
503M86.4Confident71.1Confident18 Ų1840.2 Ų40.29%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-144.1170.1-178.8-69.6-67-176.800110.1P247 V248 L250 V255 L518P247-M503 WeakPolarHBondContact CA-O 3.23Å; V248-M503 HydrophobicContact CG2-CB 4.15Å; V248-M503 PolarHBondContact N-O 3.21Å; V248-M503 PolarHBondContact O-N 3.46Å; V248-M503 VanDerWaalsContact O-O 3.11Å; L250-M503 HydrophobicContact CD1-CB 4.35Å; L250-M503 HydrophobicContact CD1-CG 3.82Å; L250-M503 HydrophobicContact CG-CG 4.34Å; V255-M503 HydrophobicContact CG1-CE 3.94Å; V255-M503 HydrophobicContact CG2-CE 3.8Å; M503-L518 HydrophobicContact CB-CD1 4.2Å
504N86.4Confident73.7Confident4 Ų435.8 Ų35.82%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-113.5123.9-178.7-70-46.5000111.4I245 G519 E520 E521 L523 L524I245-N504 HydrophobicContact CG2-CB 3.94Å; N504-G519 PolarHBondContact N-O 3.41Å; N504-G519 PolarHBondContact O-N 3.49Å; N504-E520 PolarHBondContact ND2-O 2.85Å; N504-E521 VanDerWaalsContact ND2-C 3.34Å; N504-E521 WeakPolarHBondContact ND2-CA 3.39Å; N504-E521 PolarHBondContact ND2-O 2.85Å; N504-L523 HydrophobicContact CB-CB 4.4Å; N504-L523 HydrophobicContact CB-CD2 4.32Å; N504-L524 WeakPolarHBondContact OD1-CD1 3.48Å; N504-L524 WeakPolarHBondContact OD1-CG 3.48Å
505L87.6Confident76.2Confident0 Ų031.6 Ų31.60%021%0.205CC..EExtended strand (participates in β ladder)trans-97.898.7169.2-174.171.5000109.3F118 Y119 V213 I245 T246 V248 T507 L517F118-L505 HydrophobicContact CE1-CD2 4.37Å; Y119-L505 HydrophobicContact CE1-CD2 4.13Å; Y119-L505 WeakPolarHBondContact OH-CD2 3.11Å; V213-L505 HydrophobicContact CG2-CD1 3.99Å; V213-L505 HydrophobicContact CG2-CD2 4.4Å; I245-L505 WeakPolarHBondContact CA-O 3Å; T246-L505 PolarHBondContact N-O 3.32Å; T246-L505 PolarHBondContact O-N 2.88Å; V248-L505 HydrophobicContact CG1-CB 3.79Å; V248-L505 HydrophobicContact CG1-CD2 4.3Å; V248-L505 HydrophobicContact CG2-CB 3.97Å; L505-T507 HydrophobicContact CD2-CG2 4.18Å; L505-T507 HydrophobicContact CG-CG2 4.01Å; L505-L517 CarbonylContact C-O 3.55Å; L505-L517 WeakPolarHBondContact CA-O 3.14Å
506Y87.1Confident78.5Confident3 Ų330.4 Ų30.41%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-75.5130.6168.2169.9-77.1000108.9V243 I245 H508 S516 L517 I530 V533V243-Y506 HydrophobicContact CB-CE2 4.38Å; V243-Y506 HydrophobicContact CG1-CD2 3.76Å; V243-Y506 HydrophobicContact CG1-CE2 3.36Å; V243-Y506 HydrophobicContact CG2-CE2 4.06Å; V243-Y506 WeakPolarHBondContact CG2-OH 3.43Å; I245-Y506 HydrophobicContact CD1-CD2 4.2Å; I245-Y506 HydrophobicContact CG1-CD2 4.09Å; Y506-H508 HydrophobicContact CE1-CB 3.61Å; Y506-S516 CarbonylContact O-C 3.52Å; Y506-S516 WeakPolarHBondContact O-CA 3.23Å; Y506-L517 HydrophobicContact CD1-CB 4.1Å; Y506-L517 HydrophobicContact CD1-CD1 3.85Å; Y506-L517 HydrophobicContact CD1-CG 4.15Å; Y506-L517 HydrophobicContact CE1-CD1 4.08Å; Y506-L517 PolarHBondContact N-O 3.26Å; Y506-L517 PolarHBondContact O-N 2.87Å; Y506-I530 HydrophobicContact CE2-CG2 4.36Å; Y506-V533 HydrophobicContact CD1-CG1 4.41Å; Y506-V533 HydrophobicContact CE1-CG1 3.77Å; Y506-V533 HydrophobicContact CE2-CG1 4.19Å
507T86.6Confident80.4Confident17 Ų1726.2 Ų26.210%0.10417%0.165CC..EExtended strand (participates in β ladder)trans-128.5136.5174.762.70000109.9V243 Q244 L505 L515V243-T507 CarbonylContact C-O 3.49Å; V243-T507 WeakPolarHBondContact CA-O 3.32Å; Q244-T507 PolarHBondContact N-O 3.42Å; Q244-T507 PolarHBondContact O-N 3.26Å; Q244-T507 PolarHBondContact O-OG1 3.37Å; L505-T507 HydrophobicContact CD2-CG2 4.18Å; L505-T507 HydrophobicContact CG-CG2 4.01Å; T507-L515 CarbonylContact C-O 3.5Å; T507-L515 WeakPolarHBondContact CA-O 3.38Å
508H87.1Confident82.2Confident1 Ų124.1 Ų24.11%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-133.5110.9-178.6177.4-164.8000109.2N242 V243 Y506 V514 L515 Y534 S537N242-H508 WeakPolarHBondContact O-CA 3.44Å; V243-H508 HydrophobicContact CG2-CB 4.39Å; Y506-H508 HydrophobicContact CE1-CB 3.61Å; H508-V514 WeakPolarHBondContact O-CA 3.35Å; H508-L515 HydrophobicContact CB-CB 4.4Å; H508-L515 PolarHBondContact N-O 3.43Å; H508-L515 PolarHBondContact O-N 3.44Å; H508-Y534 AromaticContact CE1-CD2 3.66Å; H508-Y534 AromaticContact CE1-CE2 3.74Å; H508-Y534 AromaticContact NE2-CD2 3.8Å; H508-Y534 AromaticContact NE2-CE2 3.48Å; H508-Y534 WeakPolarHBondContact NE2-CE2 3.34Å; H508-S537 PolarHBondContact ND1-OG 3.16Å; H508-S537 VanDerWaalsContact ND1-OG 3.17Å
509S84.4Confident83.9Confident37 Ų3720.4 Ų20.426%0.25913%0.126SC..EExtended strand (participates in β ladder)trans-101.4126.7-174.758.50000112.7N242 L513N242-S509 VanDerWaalsContact CB-O 3.3Å; N242-S509 WeakPolarHBondContact CB-O 3.25Å; N242-S509 PolarHBondContact O-N 2.75Å; S509-L513 CarbonylContact C-O 3.6Å; S509-L513 WeakPolarHBondContact CA-O 3.43Å
510V83.6Confident84.8Confident8 Ų822.3 Ų22.35%0.04813%0.129CC..EExtended strand (participates in β ladder)trans-135.3102.7-177.8-178.80000109.4G512 L513 L538 L541 N542V510-G512 VanDerWaalsContact C-N 3.29Å; V510-G512 PolarHBondContact O-N 2.93Å; V510-G512 VanDerWaalsContact O-N 3.15Å; V510-L513 PolarHBondContact N-O 3.07Å; V510-L513 WeakPolarHBondContact O-CA 3.24Å; V510-L513 WeakPolarHBondContact O-CB 3.45Å; V510-L513 PolarHBondContact O-N 2.91Å; V510-L538 HydrophobicContact CG2-CD1 4.3Å; V510-L541 HydrophobicContact CG2-CB 4.36Å; V510-L541 HydrophobicContact CG2-CD1 4.29Å; V510-N542 WeakPolarHBondContact CG1-OD1 3.44Å
511N75.3Confident84.8Confident112 Ų11225.8 Ų25.860%0.59914%0.144SC*.THydrogen-bonded Turntrans50.839.4173.5-59.5-26.2000115.1L513 E545N511-L513 VanDerWaalsContact C-N 3.32Å; N511-E545 HydrophobicContact CB-CG 3.97Å
512G73.2Confident84.6Confident20 Ų2025 Ų2521%0.20614%0.144CC..THydrogen-bonded Turntrans83.7-1.1-177.500000115.2K197 V510K197-G512 PolarHBondContact N-O 2.83Å; V510-G512 VanDerWaalsContact C-N 3.29Å; V510-G512 PolarHBondContact O-N 2.93Å; V510-G512 VanDerWaalsContact O-N 3.15Å
513L84Confident84.3Confident1 Ų122.2 Ų22.21%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-84.2139.7156.8-163.477.9000108.4I194 L195 Y196 V201 S509 V510 N511 L541 L544 E545 L548I194-L513 HydrophobicContact CG2-CD1 3.75Å; I194-L513 HydrophobicContact CG2-CD2 4.37Å; I194-L513 HydrophobicContact CG2-CG 4.04Å; L195-L513 CarbonylContact O-C 3.6Å; L195-L513 VanDerWaalsContact O-CA 3.31Å; L195-L513 WeakPolarHBondContact O-CA 3.23Å; L195-L513 WeakPolarHBondContact O-CD1 3.27Å; Y196-L513 HydrophobicContact CD2-CB 4.28Å; Y196-L513 HydrophobicContact CD2-CD1 3.87Å; Y196-L513 HydrophobicContact CG-CD1 4.27Å; V201-L513 HydrophobicContact CG2-CD1 4.27Å; S509-L513 CarbonylContact C-O 3.6Å; S509-L513 WeakPolarHBondContact CA-O 3.43Å; V510-L513 PolarHBondContact N-O 3.07Å; V510-L513 WeakPolarHBondContact O-CA 3.24Å; V510-L513 WeakPolarHBondContact O-CB 3.45Å; V510-L513 PolarHBondContact O-N 2.91Å; N511-L513 VanDerWaalsContact C-N 3.32Å; L513-L541 HydrophobicContact CD2-CB 3.98Å; L513-L541 HydrophobicContact CD2-CD2 3.63Å; L513-L541 HydrophobicContact CD2-CG 4.39Å; L513-L541 WeakPolarHBondContact CD2-O 3.43Å; L513-L544 HydrophobicContact CD2-CB 4.35Å; L513-L544 HydrophobicContact CD2-CD2 4.31Å; L513-L544 HydrophobicContact CD2-CG 4.45Å; L513-E545 HydrophobicContact CB-CB 4.44Å; L513-E545 HydrophobicContact CB-CG 4.45Å; L513-L548 HydrophobicContact CD1-CD1 3.89Å
514V85.5Confident83.8Confident27 Ų2725.6 Ų25.616%0.16414%0.143CC..EExtended strand (participates in β ladder)trans-131.7122171.6-1690000110L195 Q217 H508L195-V514 PolarHBondContact N-O 2.99Å; L195-V514 PolarHBondContact O-N 2.78Å; Q217-V514 VanDerWaalsContact OE1-CG1 3.31Å; H508-V514 WeakPolarHBondContact O-CA 3.35Å
515L88.7Confident83.3Confident0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-87.9123.6166.117264.6000108.1L180 I194 T507 H508 L517 L541L180-L515 HydrophobicContact CD2-CD1 3.62Å; I194-L515 HydrophobicContact CD1-CD1 4.29Å; I194-L515 HydrophobicContact CG1-CD1 3.68Å; T507-L515 CarbonylContact C-O 3.5Å; T507-L515 WeakPolarHBondContact CA-O 3.38Å; H508-L515 HydrophobicContact CB-CB 4.4Å; H508-L515 PolarHBondContact N-O 3.43Å; H508-L515 PolarHBondContact O-N 3.44Å; L515-L517 HydrophobicContact CD1-CD2 3.82Å; L515-L517 HydrophobicContact CD1-CG 4.09Å; L515-L517 HydrophobicContact CD2-CD1 4.19Å; L515-L517 HydrophobicContact CD2-CG 4.32Å; L515-L517 HydrophobicContact CG-CD1 4.44Å; L515-L517 HydrophobicContact CG-CD2 4.33Å; L515-L517 HydrophobicContact CG-CG 4.04Å; L515-L541 HydrophobicContact CB-CD1 3.88Å; L515-L541 HydrophobicContact CB-CD2 4.03Å; L515-L541 HydrophobicContact CD2-CD1 3.94Å
516S89.6Confident83.1Confident0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-118.7120.3173.1-59.10000109.5G192 C193 Q217 Y506G192-S516 CarbonylContact C-O 3.54Å; G192-S516 WeakPolarHBondContact CA-O 3.49Å; C193-S516 PolarHBondContact N-O 2.73Å; C193-S516 PolarHBondContact O-N 2.81Å; Q217-S516 PolarHBondContact NE2-OG 3.3Å; Y506-S516 CarbonylContact O-C 3.52Å; Y506-S516 WeakPolarHBondContact O-CA 3.23Å
517L88.9Confident82.8Confident1 Ų140.6 Ų40.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-116.8137.9-179.2-61.8173.7000109.5L180 C183 V189 L505 Y506 L515 V533L180-L517 HydrophobicContact CD2-CD2 4.07Å; C183-L517 HydrophobicContact CB-CD1 3.7Å; C183-L517 HydrophobicContact CB-CD2 3.72Å; C183-L517 HydrophobicContact CB-CG 4.38Å; V189-L517 HydrophobicContact CG1-CB 4.25Å; V189-L517 HydrophobicContact CG1-CD1 4.38Å; V189-L517 HydrophobicContact CG1-CD2 4.24Å; L505-L517 CarbonylContact C-O 3.55Å; L505-L517 WeakPolarHBondContact CA-O 3.14Å; Y506-L517 HydrophobicContact CD1-CB 4.1Å; Y506-L517 HydrophobicContact CD1-CD1 3.85Å; Y506-L517 HydrophobicContact CD1-CG 4.15Å; Y506-L517 HydrophobicContact CE1-CD1 4.08Å; Y506-L517 PolarHBondContact N-O 3.26Å; Y506-L517 PolarHBondContact O-N 2.87Å; L515-L517 HydrophobicContact CD1-CD2 3.82Å; L515-L517 HydrophobicContact CD1-CG 4.09Å; L515-L517 HydrophobicContact CD2-CD1 4.19Å; L515-L517 HydrophobicContact CD2-CG 4.32Å; L515-L517 HydrophobicContact CG-CD1 4.44Å; L515-L517 HydrophobicContact CG-CD2 4.33Å; L515-L517 HydrophobicContact CG-CG 4.04Å; L517-V533 HydrophobicContact CD1-CG1 3.4Å; L517-V533 VanDerWaalsContact CD1-CG1 3.4Å
518L88.2Confident82.6Confident1 Ų143 Ų431%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-108.7125.7179.3-175.557.7000108.7L190 A191 L205 L209 V248 L250 L258 M503L190-L518 PolarHBondContact N-O 2.9Å; A191-L518 PolarHBondContact N-O 3.28Å; A191-L518 PolarHBondContact O-N 3.42Å; L205-L518 HydrophobicContact CD2-CB 4.17Å; L205-L518 HydrophobicContact CD2-CD2 3.86Å; L209-L518 HydrophobicContact CD1-CD2 4.07Å; V248-L518 HydrophobicContact CG2-CD1 3.87Å; L250-L518 HydrophobicContact CD1-CD1 4.3Å; L250-L518 HydrophobicContact CD1-CD2 3.87Å; L250-L518 HydrophobicContact CD1-CG 4.33Å; L250-L518 HydrophobicContact CD2-CD2 4.46Å; L258-L518 HydrophobicContact CD1-CD2 3.59Å; L258-L518 HydrophobicContact CD1-CG 4.4Å; M503-L518 HydrophobicContact CB-CD1 4.2Å
519G86.1Confident82.5Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-145.1170.3-175.200000114.2H188 N504H188-G519 CarbonylContact O-C 3.48Å; H188-G519 WeakPolarHBondContact O-CA 3.44Å; N504-G519 PolarHBondContact N-O 3.41Å; N504-G519 PolarHBondContact O-N 3.49Å
520E86Confident82.5Confident63 Ų6341.6 Ų41.629%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-69.9157.7-174.3-53.9177.6144.500112.5H188 L190 N504 P522 L523H188-E520 HydrophobicContact CB-CB 4.21Å; H188-E520 IonicContact CE1-OE2 2.72Å; H188-E520 IonicContact CG-OE2 3.07Å; H188-E520 IonicContact ND1-OE2 2.79Å; H188-E520 PolarHBondContact ND1-OE2 3.28Å; H188-E520 PolarHBondContact O-N 3.49Å; L190-E520 HydrophobicContact CD1-CG 4.41Å; L190-E520 HydrophobicContact CD2-CG 4.18Å; L190-E520 HydrophobicContact CG-CG 4.33Å; N504-E520 PolarHBondContact ND2-O 2.85Å; E520-P522 VanDerWaalsContact C-CD 3.45Å; E520-P522 VanDerWaalsContact C-N 3.34Å; E520-P522 HydrophobicContact CB-CG 3.89Å; E520-L523 VanDerWaalsContact O-CB 3.24Å; E520-L523 WeakPolarHBondContact O-CB 3.33Å; E520-L523 PolarHBondContact O-N 3.35Å
521E80.7Confident82.5Confident100 Ų10044.8 Ų44.847%0.46724%0.237SC..G310 helixtrans-44.1-44.5174.1-161-162.6145.400115N504 L523 R525N504-E521 VanDerWaalsContact ND2-C 3.34Å; N504-E521 WeakPolarHBondContact ND2-CA 3.39Å; N504-E521 PolarHBondContact ND2-O 2.85Å; E521-L523 PolarHBondContact O-N 2.97Å; E521-L523 VanDerWaalsContact O-N 3.15Å; E521-R525 IonicContact OE1-NH2 3.14Å
522P77.4Confident83Confident52 Ų5244.7 Ų44.734%0.33823%0.233SC..G310 helixtrans-59-19.2176.220.6-35.9000116.2H188 E520 L524 R525 D526H188-P522 WeakPolarHBondContact ND1-CG 3.38Å; E520-P522 VanDerWaalsContact C-CD 3.45Å; E520-P522 VanDerWaalsContact C-N 3.34Å; E520-P522 HydrophobicContact CB-CG 3.89Å; P522-L524 PolarHBondContact O-N 3.32Å; P522-R525 WeakPolarHBondContact O-CA 3.31Å; P522-R525 PolarHBondContact O-N 2.71Å; P522-D526 PolarHBondContact O-N 2.83Å
523L77.2Confident83.6Confident2 Ų243.9 Ų43.91%0.0122%0.224CC..G310 helixtrans-55.4-36.6-178.7-177.863.6000112.5H188 V189 N504 E520 E521 R525 D526 A529 I530H188-L523 HydrophobicContact CB-CB 4.07Å; H188-L523 HydrophobicContact CB-CD1 4.35Å; V189-L523 HydrophobicContact CG2-CD1 4.5Å; V189-L523 HydrophobicContact CG2-CD2 4.48Å; N504-L523 HydrophobicContact CB-CB 4.4Å; N504-L523 HydrophobicContact CB-CD2 4.32Å; E520-L523 VanDerWaalsContact O-CB 3.24Å; E520-L523 WeakPolarHBondContact O-CB 3.33Å; E520-L523 PolarHBondContact O-N 3.35Å; E521-L523 PolarHBondContact O-N 2.97Å; E521-L523 VanDerWaalsContact O-N 3.15Å; L523-R525 PolarHBondContact O-N 3.04Å; L523-R525 VanDerWaalsContact O-N 3.15Å; L523-D526 PolarHBondContact O-N 3.42Å; L523-A529 HydrophobicContact CD1-CB 4.27Å; L523-I530 HydrophobicContact CD1-CG1 4.36Å; L523-I530 WeakPolarHBondContact O-CD1 3.29Å
524L76.1Confident83.7Confident88 Ų8845.1 Ų45.146%0.46123%0.229SC..G310 helixtrans-62.7-16175.3-89.3174.5000114.6I245 N504 P522I245-L524 HydrophobicContact CB-CD2 3.86Å; I245-L524 HydrophobicContact CD1-CD2 4.16Å; I245-L524 HydrophobicContact CG2-CD2 3.6Å; I245-L524 HydrophobicContact CG2-CG 3.95Å; N504-L524 WeakPolarHBondContact OD1-CD1 3.48Å; N504-L524 WeakPolarHBondContact OD1-CG 3.48Å; P522-L524 PolarHBondContact O-N 3.32Å
525R77.1Confident83.7Confident198 Ų19849.9 Ų49.975%0.74725%0.249SC*.G310 helixtrans-105.4-16.1-178.4-55.5-174.3-168.817310.4112.9E521 P522 L523E521-R525 IonicContact OE1-NH2 3.14Å; P522-R525 WeakPolarHBondContact O-CA 3.31Å; P522-R525 PolarHBondContact O-N 2.71Å; L523-R525 PolarHBondContact O-N 3.04Å; L523-R525 VanDerWaalsContact O-N 3.15Å
526D82.8Confident83.5Confident49 Ų4952 Ų5226%0.26226%0.264SS..  trans-97.290.2176.7-168.2-16.7000111.3P522 L523 A528 A529 I530P522-D526 PolarHBondContact O-N 2.83Å; L523-D526 PolarHBondContact O-N 3.42Å; D526-A528 PolarHBondContact O-N 2.91Å; D526-A528 WeakPolarHBondContact OD1-CA 3.48Å; D526-A528 WeakPolarHBondContact OD1-CB 3.28Å; D526-A528 PolarHBondContact OD1-N 3.02Å; D526-A529 HydrophobicContact CB-CB 3.97Å; D526-A529 PolarHBondContact O-N 3.43Å; D526-A529 PolarHBondContact OD1-N 2.87Å; D526-I530 WeakPolarHBondContact O-CG1 3.42Å; D526-I530 PolarHBondContact O-N 2.97Å
527T80.9Confident83.4Confident75 Ų7552 Ų5246%0.4626%0.264SS..Hα-helixtrans-66.8-23.9175.156.90000113.2A237 E531A237-T527 HydrophobicContact CB-CG2 3.43Å; A237-T527 VanDerWaalsContact CB-CG2 3.43Å; T527-E531 WeakPolarHBondContact O-CB 3.37Å; T527-E531 WeakPolarHBondContact O-CG 3.28Å; T527-E531 PolarHBondContact O-N 3.15Å
528A82.8Confident83.3Confident68 Ų6854.5 Ų54.556%0.56228%0.277SS*.Hα-helixtrans-73.7-41.8178.900000110.6D526 E531 E532D526-A528 PolarHBondContact O-N 2.91Å; D526-A528 WeakPolarHBondContact OD1-CA 3.48Å; D526-A528 WeakPolarHBondContact OD1-CB 3.28Å; D526-A528 PolarHBondContact OD1-N 3.02Å; A528-E531 PolarHBondContact O-N 2.94Å; A528-E532 WeakPolarHBondContact O-CB 3.49Å; A528-E532 PolarHBondContact O-N 3.28Å
529A83.2Confident83.2Confident1 Ų158 Ų581%0.00831%0.306CS..Hα-helixtrans-61-44.617200000112.2P187 L523 D526 E531 E532 V533P187-A529 HydrophobicContact CG-CB 3.8Å; L523-A529 HydrophobicContact CD1-CB 4.27Å; D526-A529 HydrophobicContact CB-CB 3.97Å; D526-A529 PolarHBondContact O-N 3.43Å; D526-A529 PolarHBondContact OD1-N 2.87Å; A529-E531 VanDerWaalsContact C-N 3.35Å; A529-E531 PolarHBondContact O-N 3.34Å; A529-E532 PolarHBondContact O-N 3.35Å; A529-V533 WeakPolarHBondContact O-CB 3.47Å; A529-V533 VanDerWaalsContact O-CG2 3.31Å; A529-V533 WeakPolarHBondContact O-CG2 3.32Å; A529-V533 PolarHBondContact O-N 3.06Å
530I84.4Confident83.2Confident8 Ų860.3 Ų60.34%0.04132%0.323CS..Hα-helixtrans-58.4-46.1176.1-69.2166.5000111L239 P240 I245 Y506 L523 D526 Y534L239-I530 HydrophobicContact CD2-CD1 4.22Å; L239-I530 HydrophobicContact CD2-CG2 4.3Å; P240-I530 HydrophobicContact CG-CG2 4.13Å; I245-I530 HydrophobicContact CD1-CD1 3.55Å; I245-I530 HydrophobicContact CD1-CG1 3.97Å; Y506-I530 HydrophobicContact CE2-CG2 4.36Å; L523-I530 HydrophobicContact CD1-CG1 4.36Å; L523-I530 WeakPolarHBondContact O-CD1 3.29Å; D526-I530 WeakPolarHBondContact O-CG1 3.42Å; D526-I530 PolarHBondContact O-N 2.97Å; I530-Y534 WeakPolarHBondContact O-CB 3.27Å; I530-Y534 PolarHBondContact O-N 3.13Å
531E84.4Confident83.3Confident74 Ų7457.4 Ų57.435%0.34631%0.309SS..Hα-helixtrans-71.1-35179.5-73.4-70.8-173.600113.1T527 A528 A529 Y534 H535T527-E531 WeakPolarHBondContact O-CB 3.37Å; T527-E531 WeakPolarHBondContact O-CG 3.28Å; T527-E531 PolarHBondContact O-N 3.15Å; A528-E531 PolarHBondContact O-N 2.94Å; A529-E531 VanDerWaalsContact C-N 3.35Å; A529-E531 PolarHBondContact O-N 3.34Å; E531-Y534 PolarHBondContact O-N 3.05Å; E531-H535 WeakPolarHBondContact O-CB 3.45Å; E531-H535 PolarHBondContact O-N 3.43Å; E531-H535 PolarHBondContact O-ND1 2.91Å; E531-H535 IonicContact OE2-CE1 2.72Å; E531-H535 PolarHBondContact OE2-CE1 2.86Å; E531-H535 IonicContact OE2-ND1 3.85Å; E531-H535 PolarHBondContact OE2-ND1 3.35Å
532E85.4Confident83.7Confident111 Ų11155.5 Ų55.552%0.51930%0.302SS..Hα-helixtrans-62.6-47.4173-176.2179.5-169.800110.9A528 A529 S536A528-E532 WeakPolarHBondContact O-CB 3.49Å; A528-E532 PolarHBondContact O-N 3.28Å; A529-E532 PolarHBondContact O-N 3.35Å; E532-S536 WeakPolarHBondContact O-CB 3.47Å; E532-S536 PolarHBondContact O-N 3.26Å; E532-S536 PolarHBondContact O-OG 3.5Å
533V86.1Confident84.1Confident2 Ų254.1 Ų54.11%0.01230%0.297CS..Hα-helixtrans-62.3-42.8175.7169.80000111.4S186 V189 Y506 L517 A529 S536 S537S186-V533 WeakPolarHBondContact OG-CG2 3.49Å; V189-V533 HydrophobicContact CG2-CG2 4.32Å; Y506-V533 HydrophobicContact CD1-CG1 4.41Å; Y506-V533 HydrophobicContact CE1-CG1 3.77Å; Y506-V533 HydrophobicContact CE2-CG1 4.19Å; L517-V533 HydrophobicContact CD1-CG1 3.4Å; L517-V533 VanDerWaalsContact CD1-CG1 3.4Å; A529-V533 WeakPolarHBondContact O-CB 3.47Å; A529-V533 VanDerWaalsContact O-CG2 3.31Å; A529-V533 WeakPolarHBondContact O-CG2 3.32Å; A529-V533 PolarHBondContact O-N 3.06Å; V533-S536 PolarHBondContact O-OG 3.12Å; V533-S537 WeakPolarHBondContact O-CB 3.13Å; V533-S537 PolarHBondContact O-N 3.1Å; V533-S537 PolarHBondContact O-OG 2.94Å
534Y86.4Confident84.5Confident27 Ų2754 Ų5411%0.10630%0.297CS..Hα-helixtrans-62.1-54.5178.1177.8-106.9000111.5P240 P241 V243 H508 I530 E531 S536 S537 L538P240-Y534 HydrophobicContact CB-CD1 3.73Å; P240-Y534 HydrophobicContact CB-CD2 3.63Å; P240-Y534 HydrophobicContact CB-CE1 3.93Å; P240-Y534 HydrophobicContact CB-CE2 3.83Å; P240-Y534 HydrophobicContact CB-CG 3.58Å; P240-Y534 HydrophobicContact CG-CD1 4.14Å; P240-Y534 HydrophobicContact CG-CD2 4.29Å; P240-Y534 HydrophobicContact CG-CG 3.88Å; P241-Y534 WeakPolarHBondContact O-CE2 3.43Å; V243-Y534 HydrophobicContact CG2-CD2 3.59Å; V243-Y534 HydrophobicContact CG2-CE2 4.14Å; V243-Y534 HydrophobicContact CG2-CG 4.46Å; H508-Y534 AromaticContact CE1-CD2 3.66Å; H508-Y534 AromaticContact CE1-CE2 3.74Å; H508-Y534 AromaticContact NE2-CD2 3.8Å; H508-Y534 AromaticContact NE2-CE2 3.48Å; H508-Y534 WeakPolarHBondContact NE2-CE2 3.34Å; I530-Y534 WeakPolarHBondContact O-CB 3.27Å; I530-Y534 PolarHBondContact O-N 3.13Å; E531-Y534 PolarHBondContact O-N 3.05Å; Y534-S536 PolarHBondContact O-N 3.1Å; Y534-S537 PolarHBondContact O-N 3.21Å; Y534-S537 PolarHBondContact O-OG 2.79Å; Y534-L538 HydrophobicContact CE1-CD2 4.19Å; Y534-L538 HydrophobicContact CE2-CD1 4.44Å; Y534-L538 VanDerWaalsContact O-CB 3.27Å; Y534-L538 WeakPolarHBondContact O-CB 3.11Å; Y534-L538 PolarHBondContact O-N 3.07Å
535H85.8Confident85.1Confident127 Ų12750.1 Ų50.159%0.58828%0.276SS*.Hα-helixtrans-67.7-37.7-177.3-73.189.1000113.4E531E531-H535 WeakPolarHBondContact O-CB 3.45Å; E531-H535 PolarHBondContact O-N 3.43Å; E531-H535 PolarHBondContact O-ND1 2.91Å; E531-H535 IonicContact OE2-CE1 2.72Å; E531-H535 PolarHBondContact OE2-CE1 2.86Å; E531-H535 IonicContact OE2-ND1 3.85Å; E531-H535 PolarHBondContact OE2-ND1 3.35Å
536S84.7Confident85.5Confident44 Ų4443.8 Ų43.831%0.30826%0.259SS..Hα-helixtrans-71.1-35.3177.5610000113E532 V533 Y534E532-S536 WeakPolarHBondContact O-CB 3.47Å; E532-S536 PolarHBondContact O-N 3.26Å; E532-S536 PolarHBondContact O-OG 3.5Å; V533-S536 PolarHBondContact O-OG 3.12Å; Y534-S536 PolarHBondContact O-N 3.1Å
537S86.5Confident85.6Confident1 Ų145.3 Ų45.31%0.00726%0.264CS..Hα-helixtrans-80.1-41.8179.166.30000113.3H508 V533 Y534 A539 S540 L541H508-S537 PolarHBondContact ND1-OG 3.16Å; H508-S537 VanDerWaalsContact ND1-OG 3.17Å; V533-S537 WeakPolarHBondContact O-CB 3.13Å; V533-S537 PolarHBondContact O-N 3.1Å; V533-S537 PolarHBondContact O-OG 2.94Å; Y534-S537 PolarHBondContact O-N 3.21Å; Y534-S537 PolarHBondContact O-OG 2.79Å; S537-A539 PolarHBondContact O-N 2.83Å; S537-S540 PolarHBondContact O-N 3.13Å; S537-S540 VanDerWaalsContact O-N 3.09Å; S537-L541 WeakPolarHBondContact O-CB 3.41Å; S537-L541 VanDerWaalsContact O-CG 3.29Å; S537-L541 WeakPolarHBondContact O-CG 3.48Å; S537-L541 PolarHBondContact O-N 2.83Å
538L86.9Confident85.7Confident53 Ų5341.7 Ų41.728%0.27724%0.243SC..Hα-helixtrans-52.3-51.6-167.2-178.766.8000114.2V510 Y534 N542V510-L538 HydrophobicContact CG2-CD1 4.3Å; Y534-L538 HydrophobicContact CE1-CD2 4.19Å; Y534-L538 HydrophobicContact CE2-CD1 4.44Å; Y534-L538 VanDerWaalsContact O-CB 3.27Å; Y534-L538 WeakPolarHBondContact O-CB 3.11Å; Y534-L538 PolarHBondContact O-N 3.07Å; L538-N542 PolarHBondContact O-N 3.01Å; L538-N542 VanDerWaalsContact O-N 3.08Å; L538-N542 PolarHBondContact O-ND2 2.94Å
539A86.4Confident85.6Confident74 Ų7444.6 Ų44.661%0.61224%0.242SC*.Hα-helixtrans-65.4-40.9-178.900000112S537 G543S537-A539 PolarHBondContact O-N 2.83Å; A539-G543 PolarHBondContact O-N 2.79Å; A539-G543 VanDerWaalsContact O-N 3.07Å
540S86.6Confident85.6Confident50 Ų5051.5 Ų51.535%0.3527%0.274SS..Hα-helixtrans-70.8-36.1-178.9-54.30000112.5S537 L544S537-S540 PolarHBondContact O-N 3.13Å; S537-S540 VanDerWaalsContact O-N 3.09Å; S540-L544 WeakPolarHBondContact O-CB 3.23Å; S540-L544 PolarHBondContact O-N 2.81Å
541L86.9Confident84.9Confident1 Ų153.8 Ų53.81%0.00529%0.289CS..Hα-helixtrans-67.8-47.3174.9-71.5173.6000111.7I179 I194 V510 L513 L515 S537 G543 L544 E545I179-L541 HydrophobicContact CD1-CD2 4.47Å; I179-L541 HydrophobicContact CG2-CD2 4.2Å; I194-L541 HydrophobicContact CD1-CD2 4.2Å; V510-L541 HydrophobicContact CG2-CB 4.36Å; V510-L541 HydrophobicContact CG2-CD1 4.29Å; L513-L541 HydrophobicContact CD2-CB 3.98Å; L513-L541 HydrophobicContact CD2-CD2 3.63Å; L513-L541 HydrophobicContact CD2-CG 4.39Å; L513-L541 WeakPolarHBondContact CD2-O 3.43Å; L515-L541 HydrophobicContact CB-CD1 3.88Å; L515-L541 HydrophobicContact CB-CD2 4.03Å; L515-L541 HydrophobicContact CD2-CD1 3.94Å; S537-L541 WeakPolarHBondContact O-CB 3.41Å; S537-L541 VanDerWaalsContact O-CG 3.29Å; S537-L541 WeakPolarHBondContact O-CG 3.48Å; S537-L541 PolarHBondContact O-N 2.83Å; L541-G543 VanDerWaalsContact C-N 3.32Å; L541-G543 PolarHBondContact O-N 2.82Å; L541-L544 WeakPolarHBondContact O-CA 3.42Å; L541-L544 WeakPolarHBondContact O-CB 3.35Å; L541-L544 PolarHBondContact O-N 3.2Å; L541-E545 PolarHBondContact O-N 3Å
542N88.6Confident84.1Confident60 Ų6052.7 Ų52.732%0.32129%0.285SS..Hα-helixtrans-57.7-46.2174.2-82.3-81.7000111.1V510 L538 L544 E545 V546V510-N542 WeakPolarHBondContact CG1-OD1 3.44Å; L538-N542 PolarHBondContact O-N 3.01Å; L538-N542 VanDerWaalsContact O-N 3.08Å; L538-N542 PolarHBondContact O-ND2 2.94Å; N542-L544 PolarHBondContact O-N 3.18Å; N542-E545 PolarHBondContact O-N 3.3Å; N542-V546 PolarHBondContact O-N 2.97Å
543G86.7Confident82.8Confident23 Ų2350.8 Ų50.824%0.23728%0.282CS..Hα-helixtrans-68.2-11.6174.900000114.8K175 A539 L541 H547K175-G543 VanDerWaalsContact NZ-C 3.29Å; K175-G543 PolarHBondContact NZ-O 2.86Å; A539-G543 PolarHBondContact O-N 2.79Å; A539-G543 VanDerWaalsContact O-N 3.07Å; L541-G543 VanDerWaalsContact C-N 3.32Å; L541-G543 PolarHBondContact O-N 2.82Å; G543-H547 PolarHBondContact O-CD2 3.5Å
544L85.7Confident81.1Confident0 Ų062.5 Ų62.50%033%0.326CS..Hα-helixtrans-91.9-39172.1179.761.7000111.1L172 K175 A176 I179 I194 L513 S540 L541 N542 H547 L548L172-L544 HydrophobicContact CB-CD1 4.23Å; K175-L544 HydrophobicContact CB-CD1 4.44Å; K175-L544 HydrophobicContact CD-CD1 4.18Å; K175-L544 HydrophobicContact CG-CD1 4.37Å; A176-L544 HydrophobicContact CB-CD2 3.91Å; I179-L544 HydrophobicContact CD1-CB 4.39Å; I179-L544 HydrophobicContact CD1-CD2 4.03Å; I194-L544 HydrophobicContact CD1-CD2 4.35Å; I194-L544 HydrophobicContact CG2-CD2 4.2Å; L513-L544 HydrophobicContact CD2-CB 4.35Å; L513-L544 HydrophobicContact CD2-CD2 4.31Å; L513-L544 HydrophobicContact CD2-CG 4.45Å; S540-L544 WeakPolarHBondContact O-CB 3.23Å; S540-L544 PolarHBondContact O-N 2.81Å; L541-L544 WeakPolarHBondContact O-CA 3.42Å; L541-L544 WeakPolarHBondContact O-CB 3.35Å; L541-L544 PolarHBondContact O-N 3.2Å; N542-L544 PolarHBondContact O-N 3.18Å; L544-H547 PolarHBondContact O-N 3.06Å; L544-L548 HydrophobicContact CD1-CD1 4.06Å; L544-L548 HydrophobicContact CD1-CG 4.07Å; L544-L548 HydrophobicContact CG-CD1 3.86Å; L544-L548 HydrophobicContact CG-CG 4.33Å; L544-L548 WeakPolarHBondContact O-CB 3.36Å; L544-L548 WeakPolarHBondContact O-CG 3.46Å; L544-L548 PolarHBondContact O-N 2.92Å
545E88.3Confident79.1Confident7 Ų768.1 Ų68.13%0.03336%0.358CS..Hα-helixtrans-57.8-50176-168.1-82.313900111.8Y196 N511 L513 L541 N542 H547 L548 K549Y196-E545 HydrophobicContact CE2-CG 3.99Å; Y196-E545 PolarHBondContact OH-OE1 2.95Å; N511-E545 HydrophobicContact CB-CG 3.97Å; L513-E545 HydrophobicContact CB-CB 4.44Å; L513-E545 HydrophobicContact CB-CG 4.45Å; L541-E545 PolarHBondContact O-N 3Å; N542-E545 PolarHBondContact O-N 3.3Å; E545-H547 PolarHBondContact O-N 2.88Å; E545-L548 PolarHBondContact O-N 3.12Å; E545-K549 WeakPolarHBondContact O-CB 3.38Å; E545-K549 PolarHBondContact O-N 3.41Å; E545-K549 WeakPolarHBondContact OE1-CD 3.49Å; E545-K549 IonicContact OE1-NZ 3.12Å; E545-K549 IonicContact OE2-NZ 3.27Å
546V86.1Confident76.8Confident64 Ų6470.1 Ų70.139%0.38837%0.368SS..Hα-helixtrans-58.8-49.2179.5175.20000110.8N542 L548 K549 E550N542-V546 PolarHBondContact O-N 2.97Å; V546-L548 PolarHBondContact O-N 3.08Å; V546-K549 WeakPolarHBondContact O-CB 3.42Å; V546-K549 PolarHBondContact O-N 3.28Å; V546-E550 HydrophobicContact CG1-CG 4.49Å; V546-E550 WeakPolarHBondContact O-CG 3.34Å; V546-E550 PolarHBondContact O-N 3.05Å
547H84.3Confident74.6Confident81 Ų8172.6 Ų72.638%0.37539%0.391SS..Hα-helixtrans-64.7-40-179.9-71.4-145.3000111.8L172 G543 L544 E545 K549 E550 T551L172-H547 HydrophobicContact CD1-CB 4.04Å; L172-H547 HydrophobicContact CD2-CB 3.58Å; L172-H547 HydrophobicContact CG-CB 4.49Å; G543-H547 PolarHBondContact O-CD2 3.5Å; L544-H547 PolarHBondContact O-N 3.06Å; E545-H547 PolarHBondContact O-N 2.88Å; H547-K549 VanDerWaalsContact C-N 3.32Å; H547-K549 PolarHBondContact O-N 2.88Å; H547-E550 PolarHBondContact O-N 3.45Å; H547-T551 WeakPolarHBondContact O-CB 3.22Å; H547-T551 WeakPolarHBondContact O-CG2 3.37Å; H547-T551 PolarHBondContact O-N 2.9Å; H547-T551 PolarHBondContact O-OG1 2.84Å
548L82.4Confident72Confident0 Ų077.1 Ų77.10%042%0.422CS..Hα-helixtrans-65-36.6175.3-74.9171.4000111.7L163 V168 L172 Y196 V201 L513 L544 E545 V546 L552L163-L548 HydrophobicContact CD1-CD2 4.25Å; V168-L548 HydrophobicContact CG1-CD2 4.04Å; L172-L548 HydrophobicContact CB-CD2 4.42Å; L172-L548 HydrophobicContact CD1-CD2 4.08Å; Y196-L548 HydrophobicContact CD1-CB 4.26Å; Y196-L548 HydrophobicContact CD1-CD1 4.41Å; Y196-L548 HydrophobicContact CE1-CB 4.09Å; Y196-L548 HydrophobicContact CG-CD1 4.15Å; V201-L548 HydrophobicContact CG1-CD1 4.17Å; V201-L548 HydrophobicContact CG1-CD2 4.48Å; V201-L548 HydrophobicContact CG2-CD1 3.93Å; L513-L548 HydrophobicContact CD1-CD1 3.89Å; L544-L548 HydrophobicContact CD1-CD1 4.06Å; L544-L548 HydrophobicContact CD1-CG 4.07Å; L544-L548 HydrophobicContact CG-CD1 3.86Å; L544-L548 HydrophobicContact CG-CG 4.33Å; L544-L548 WeakPolarHBondContact O-CB 3.36Å; L544-L548 WeakPolarHBondContact O-CG 3.46Å; L544-L548 PolarHBondContact O-N 2.92Å; E545-L548 PolarHBondContact O-N 3.12Å; V546-L548 PolarHBondContact O-N 3.08Å; L548-L552 HydrophobicContact CB-CD1 4.32Å; L548-L552 HydrophobicContact CD2-CD1 4.01Å; L548-L552 VanDerWaalsContact O-CB 3.31Å; L548-L552 WeakPolarHBondContact O-CB 3.45Å; L548-L552 VanDerWaalsContact O-CD1 3.26Å; L548-L552 WeakPolarHBondContact O-CD1 3.5Å; L548-L552 PolarHBondContact O-N 2.71Å
549K82.4Confident70.1Confident128 Ų12879.1 Ų79.156%0.55744%0.438SS*.Hα-helixtrans-71.9-28.2178.1177.4166.1161-171.20113.8Y196 E545 V546 H547Y196-K549 WeakPolarHBondContact OH-CB 3.21Å; E545-K549 WeakPolarHBondContact O-CB 3.38Å; E545-K549 PolarHBondContact O-N 3.41Å; E545-K549 WeakPolarHBondContact OE1-CD 3.49Å; E545-K549 IonicContact OE1-NZ 3.12Å; E545-K549 IonicContact OE2-NZ 3.27Å; V546-K549 WeakPolarHBondContact O-CB 3.42Å; V546-K549 PolarHBondContact O-N 3.28Å; H547-K549 VanDerWaalsContact C-N 3.32Å; H547-K549 PolarHBondContact O-N 2.88Å
550E81.4Confident67.9Low146 Ų14682 Ų8268%0.68245%0.448SS*.Hα-helixtrans-85.8-30.4174.7-70.3172.2162.700112.9V546 H547V546-E550 HydrophobicContact CG1-CG 4.49Å; V546-E550 WeakPolarHBondContact O-CG 3.34Å; V546-E550 PolarHBondContact O-N 3.05Å; H547-E550 PolarHBondContact O-N 3.45Å
551T70.4Confident66Low57 Ų5785 Ų8535%0.3547%0.469SS..Hα-helixtrans-97.3-25.2-177.256.40000115.2L172 H547L172-T551 HydrophobicContact CD1-CG2 4.11Å; L172-T551 WeakPolarHBondContact CD1-OG1 3.36Å; H547-T551 WeakPolarHBondContact O-CB 3.22Å; H547-T551 WeakPolarHBondContact O-CG2 3.37Å; H547-T551 PolarHBondContact O-N 2.9Å; H547-T551 PolarHBondContact O-OG1 2.84Å
552L68.6Low64.7Low51 Ų5186.8 Ų86.827%0.26748%0.481SS..SBendtrans-66.3128.5171.1-98.575.7000109.7L163 V168 Y196 L548 R554L163-L552 HydrophobicContact CD1-CD1 4.49Å; L163-L552 HydrophobicContact CD2-CD1 4.38Å; L163-L552 HydrophobicContact CD2-CD2 3.88Å; V168-L552 HydrophobicContact CG2-CD1 4.2Å; Y196-L552 HydrophobicContact CD1-CD2 4.31Å; Y196-L552 HydrophobicContact CE1-CD2 4.19Å; L548-L552 HydrophobicContact CB-CD1 4.32Å; L548-L552 HydrophobicContact CD2-CD1 4.01Å; L548-L552 VanDerWaalsContact O-CB 3.31Å; L548-L552 WeakPolarHBondContact O-CB 3.45Å; L548-L552 VanDerWaalsContact O-CD1 3.26Å; L548-L552 WeakPolarHBondContact O-CD1 3.5Å; L548-L552 PolarHBondContact O-N 2.71Å; L552-R554 PolarHBondContact O-N 2.81Å
553P56.6Low63.8Low70 Ų7087.6 Ų87.646%0.45549%0.489SS..  trans-60.3131.8171.225.5-33000109.6K167 D555K167-P553 HydrophobicContact CD-CG 4.43Å; P553-D555 PolarHBondContact O-N 2.53Å
554R51Low63.3Low248 Ų24888.3 Ų88.394%0.93648%0.484SS*.  trans-76.471.2-175.1-168.9-169-176.4179.13.1111.6L552 E556L552-R554 PolarHBondContact O-N 2.81Å; R554-E556 PolarHBondContact O-N 3.23Å
555D44.3Very low63.1Low145 Ų14588.4 Ų88.478%0.77549%0.485SS*.  trans43.966.3176.5-162.123.2000112.9P553 A557P553-D555 PolarHBondContact O-N 2.53Å; D555-A557 VanDerWaalsContact C-N 3.34Å; D555-A557 PolarHBondContact O-N 2.68Å
556E37.3Very low63Low169 Ų16988.2 Ų88.279%0.7948%0.484SS*.  trans-65.994.3175.6-75.5-15614100110.4R554 C558R554-E556 PolarHBondContact O-N 3.23Å; E556-C558 PolarHBondContact O-N 3.08Å
557A38.8Very low62.9Low97 Ų9785.2 Ų85.280%0.80247%0.466SS*.  trans-7151.9-178.300000114D555D555-A557 VanDerWaalsContact C-N 3.34Å; D555-A557 PolarHBondContact O-N 2.68Å
558C33.1Very low62.9Low96 Ų9682.1 Ų82.165%0.64945%0.452SS*.  trans-158.5112.5159.2-143.20000112E556 T560E556-C558 PolarHBondContact O-N 3.08Å; C558-T560 PolarHBondContact O-N 3.07Å
559P45.3Very low62.9Low95 Ų9583 Ų8362%0.61746%0.455SS*.  trans-65.2111.5164.127.4-31.7000108.7S561P559-S561 PolarHBondContact O-N 3.04Å
560T40.3Very low62.9Low133 Ų13377.8 Ų77.882%0.81643%0.433SS*.  trans-50.9125.8173.751.40000109.4C558 S562C558-T560 PolarHBondContact O-N 3.07Å; T560-S562 WeakPolarHBondContact O-CA 3.46Å; T560-S562 PolarHBondContact O-N 2.8Å
561S46.5Very low62.8Low114 Ų11474.3 Ų74.380%0.79741%0.414SS*.  trans-50.196.8-152.847.30000113.8P559 T563P559-S561 PolarHBondContact O-N 3.04Å; S561-T563 PolarHBondContact O-N 3.49Å
562S59.8Low63.3Low38 Ų3877.2 Ų77.227%0.26643%0.426SS..  trans-73.6117.8-163.756.80000110.2T560 Y564 L635T560-S562 WeakPolarHBondContact O-CA 3.46Å; T560-S562 PolarHBondContact O-N 2.8Å; S562-Y564 PolarHBondContact O-N 3.23Å; S562-L635 VanDerWaalsContact O-CD1 3.27Å; S562-L635 WeakPolarHBondContact O-CD1 3.42Å
563T69.6Low63.5Low77 Ų7779.6 Ų79.647%0.47244%0.436SS..SBendtrans-7615.5179.858.70000113.2S561 K661S561-T563 PolarHBondContact O-N 3.49Å; T563-K661 PolarHBondContact O-NZ 2.95Å; T563-K661 VanDerWaalsContact O-NZ 3.1Å; T563-K661 PolarHBondContact OG1-NZ 3.04Å
564Y76.4Confident64.3Low38 Ų3877.6 Ų77.615%0.14942%0.423CS..  trans-175.7144.4-172.859.9-65.7000110.5S562 F566 N579 F632 Q633 K661 H665S562-Y564 PolarHBondContact O-N 3.23Å; Y564-F566 HydrophobicContact CD2-CD1 4.32Å; Y564-F566 HydrophobicContact CE2-CD1 4.03Å; Y564-N579 PolarHBondContact O-ND2 3.12Å; Y564-F632 HydrophobicContact CD2-CD2 4.27Å; Y564-F632 AromaticContact CD2-CE2 3.6Å; Y564-F632 HydrophobicContact CD2-CE2 3.6Å; Y564-F632 HydrophobicContact CD2-CZ 4.49Å; Y564-F632 HydrophobicContact CG-CE2 4.01Å; Y564-F632 HydrophobicContact CG-CZ 4.49Å; Y564-Q633 CarbonylContact C-O 3.55Å; Y564-Q633 WeakPolarHBondContact CA-O 3.47Å; Y564-Q633 WeakPolarHBondContact CB-O 3.39Å; Y564-K661 HydrophobicContact CD1-CD 3.5Å; Y564-K661 VanDerWaalsContact CD1-CD 3.5Å; Y564-K661 HydrophobicContact CD2-CB 4.42Å; Y564-K661 HydrophobicContact CD2-CD 3.88Å; Y564-K661 HydrophobicContact CE1-CD 3.73Å; Y564-K661 HydrophobicContact CE2-CB 4.15Å; Y564-K661 HydrophobicContact CE2-CD 4.07Å; Y564-K661 HydrophobicContact CG-CD 3.58Å; Y564-H665 AromaticContact CE2-NE2 3.8Å; Y564-H665 AromaticContact CZ-NE2 3.74Å; Y564-H665 PolarHBondContact OH-NE2 3.27Å
565S82.9Confident65.5Low2 Ų267 Ų671%0.01439%0.385CS..EExtended strand (participates in β ladder)trans-105.9144164.9-56.20000109.1N579 F591 Q633 L635S565-N579 VanDerWaalsContact CA-OD1 3.31Å; S565-N579 WeakPolarHBondContact CA-OD1 3.5Å; S565-F591 VanDerWaalsContact CB-CE1 3.41Å; S565-Q633 PolarHBondContact N-O 3.33Å; S565-Q633 PolarHBondContact O-N 3.42Å; S565-L635 WeakPolarHBondContact OG-CD1 3.49Å
566F84.4Confident67.1Low4 Ų460.8 Ų60.82%0.01835%0.352CS..EExtended strand (participates in β ladder)trans-141153.8171.682.6-92000111.5Y564 T577 A578 N579 Y631 F632 L662 H665Y564-F566 HydrophobicContact CD2-CD1 4.32Å; Y564-F566 HydrophobicContact CE2-CD1 4.03Å; F566-T577 HydrophobicContact CE2-CG2 4.33Å; F566-A578 WeakPolarHBondContact O-CA 3.24Å; F566-N579 HydrophobicContact CD1-CB 3.95Å; F566-N579 HydrophobicContact CE1-CB 3.7Å; F566-N579 PolarHBondContact N-OD1 3.36Å; F566-N579 PolarHBondContact O-N 2.94Å; F566-N579 PolarHBondContact O-OD1 3.47Å; F566-Y631 CarbonylContact C-O 3.56Å; F566-Y631 WeakPolarHBondContact CA-O 3.47Å; F566-Y631 WeakPolarHBondContact CB-O 3.31Å; F566-F632 HydrophobicContact CB-CD2 4.39Å; F566-L662 HydrophobicContact CB-CD2 3.77Å; F566-L662 HydrophobicContact CD1-CD2 4.22Å; F566-L662 HydrophobicContact CD2-CD2 3.71Å; F566-L662 HydrophobicContact CE2-CD2 4.34Å; F566-L662 HydrophobicContact CG-CD2 3.65Å; F566-H665 AromaticContact CE1-CD2 3.65Å; F566-H665 AromaticContact CE1-CE1 3.77Å; F566-H665 AromaticContact CE1-CG 3.8Å; F566-H665 AromaticContact CE1-ND1 3.89Å; F566-H665 AromaticContact CE1-NE2 3.62Å; F566-H665 HydrophobicContact CZ-CB 4.08Å; F566-H665 AromaticContact CZ-CG 3.74Å; F566-H665 AromaticContact CZ-ND1 3.92Å
567V84.8Confident68.9Low0 Ų054.5 Ų54.50%033%0.325CS..EExtended strand (participates in β ladder)trans-136.2127.8169.3-179.60000107.5F157 L576 A578 L580 F591 I595 T630 Y631F157-V567 HydrophobicContact CE2-CG1 3.77Å; F157-V567 HydrophobicContact CZ-CG1 4.19Å; V567-L576 HydrophobicContact CG1-CD1 3.49Å; V567-L576 VanDerWaalsContact CG1-CD1 3.49Å; V567-L576 HydrophobicContact CG1-CG 4.26Å; V567-A578 HydrophobicContact CB-CB 4.47Å; V567-A578 HydrophobicContact CG1-CB 4.46Å; V567-A578 HydrophobicContact CG2-CB 3.98Å; V567-L580 HydrophobicContact CG2-CD1 3.66Å; V567-F591 HydrophobicContact CG2-CE1 3.95Å; V567-F591 HydrophobicContact CG2-CZ 4.31Å; V567-I595 HydrophobicContact CB-CD1 4.24Å; V567-I595 HydrophobicContact CG2-CD1 3.75Å; V567-T630 WeakPolarHBondContact O-CA 3.19Å; V567-Y631 HydrophobicContact CB-CD2 4.45Å; V567-Y631 PolarHBondContact N-O 3.41Å; V567-Y631 PolarHBondContact O-N 3.46Å
568H83.8Confident70.6Confident17 Ų1751.4 Ų51.48%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-117.2129171.5179.675.5000107.7T577 Q628 E629 T630 V667H568-T577 PolarHBondContact N-O 3.03Å; H568-T577 PolarHBondContact O-N 3.24Å; H568-Q628 PolarHBondContact CE1-OE1 2.71Å; H568-E629 WeakPolarHBondContact CA-O 3.2Å; H568-T630 HydrophobicContact CB-CG2 4.32Å; H568-T630 PolarHBondContact ND1-OG1 3.06Å; H568-V667 HydrophobicContact CB-CG2 4.21Å
569Y83.6Confident72.5Confident17 Ų1748.8 Ų48.87%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-122.6118.8179.6173.4-122000109F157 A159 R571 M575 L576 Q628 E629F157-Y569 HydrophobicContact CB-CD1 4.26Å; F157-Y569 HydrophobicContact CB-CD2 3.76Å; F157-Y569 HydrophobicContact CB-CE1 4.25Å; F157-Y569 HydrophobicContact CB-CE2 3.79Å; F157-Y569 HydrophobicContact CB-CG 4.02Å; F157-Y569 AromaticContact CD1-CD1 3.35Å; F157-Y569 HydrophobicContact CD1-CD1 3.35Å; F157-Y569 HydrophobicContact CD1-CD2 4.11Å; F157-Y569 AromaticContact CD1-CE1 3.91Å; F157-Y569 HydrophobicContact CD1-CE1 3.91Å; F157-Y569 AromaticContact CD1-CG 3.46Å; F157-Y569 HydrophobicContact CD1-CG 3.46Å; F157-Y569 VanDerWaalsContact CD1-CG 3.46Å; F157-Y569 AromaticContact CE1-CD1 3.95Å; F157-Y569 HydrophobicContact CE1-CD1 3.95Å; F157-Y569 HydrophobicContact CE1-CG 4.04Å; F157-Y569 HydrophobicContact CG-CD1 4.07Å; F157-Y569 HydrophobicContact CG-CD2 4.01Å; F157-Y569 HydrophobicContact CG-CE2 4.48Å; F157-Y569 AromaticContact CG-CG 3.8Å; F157-Y569 HydrophobicContact CG-CG 3.8Å; F157-Y569 PolarHBondContact O-OH 3.33Å; A159-Y569 HydrophobicContact CB-CD2 4.15Å; A159-Y569 HydrophobicContact CB-CE2 3.84Å; Y569-R571 HydrophobicContact CD1-CG 4.07Å; Y569-R571 HydrophobicContact CE1-CB 4.45Å; Y569-R571 HydrophobicContact CE1-CG 3.77Å; Y569-M575 WeakPolarHBondContact CA-O 3.43Å; Y569-M575 VanDerWaalsContact CD2-O 3.29Å; Y569-M575 WeakPolarHBondContact CD2-O 3.39Å; Y569-L576 HydrophobicContact CD2-CD1 4.23Å; Y569-Q628 CarbonylContact O-C 3.53Å; Y569-Q628 WeakPolarHBondContact O-CA 3.46Å; Y569-E629 PolarHBondContact N-O 2.92Å; Y569-E629 PolarHBondContact O-N 3.29Å
570D83Confident73.4Confident19 Ų1945.9 Ų45.910%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-90.9115.4172.4-168-65.3000109.2I572 Q573 S574 M575 Q628D570-I572 WeakPolarHBondContact OD1-CA 3.13Å; D570-I572 WeakPolarHBondContact OD1-CB 3.32Å; D570-I572 PolarHBondContact OD1-N 2.89Å; D570-Q573 HydrophobicContact CB-CB 4.37Å; D570-Q573 PolarHBondContact OD1-N 3.46Å; D570-S574 CarbonylContact O-C 3.55Å; D570-S574 WeakPolarHBondContact O-CA 3.46Å; D570-S574 PolarHBondContact O-N 3.06Å; D570-M575 PolarHBondContact N-O 3.19Å; D570-M575 PolarHBondContact O-N 3.4Å; D570-M575 VanDerWaalsContact O-N 3.09Å; D570-Q628 HydrophobicContact CB-CG 4.28Å; D570-Q628 VanDerWaalsContact OD2-CG 3.32Å; D570-Q628 WeakPolarHBondContact OD2-CG 3.37Å; D570-Q628 PolarHBondContact OD2-NE2 3.11Å
571R78.9Confident74.1Confident73 Ų7342.8 Ų42.828%0.27524%0.242SC..THydrogen-bonded Turntrans-71.8-31.4-179.7-62.2172.2163.2-179.8-5.6112Y569 N625 P626 A627 E629Y569-R571 HydrophobicContact CD1-CG 4.07Å; Y569-R571 HydrophobicContact CE1-CB 4.45Å; Y569-R571 HydrophobicContact CE1-CG 3.77Å; R571-N625 PolarHBondContact NH1-O 2.88Å; R571-P626 WeakPolarHBondContact CD-O 3.35Å; R571-A627 WeakPolarHBondContact CA-O 3.12Å; R571-A627 VanDerWaalsContact CB-O 3.27Å; R571-A627 WeakPolarHBondContact CB-O 3.31Å; R571-A627 PolarHBondContact N-O 3.24Å; R571-E629 IonicContact CZ-OE1 3.43Å; R571-E629 IonicContact NE-OE1 2.62Å; R571-E629 PolarHBondContact NE-OE1 3.44Å; R571-E629 IonicContact NH2-OE1 3.81Å; R571-E629 PolarHBondContact NH2-OE1 2.91Å
572I79.6Confident74.2Confident118 Ų11843.9 Ų43.961%0.60524%0.238SC*.THydrogen-bonded Turntrans-72.9-42.3-178.6-59.7-177.6000110.2P207 D570 A627P207-I572 VanDerWaalsContact CG-O 3.23Å; P207-I572 WeakPolarHBondContact CG-O 3.45Å; D570-I572 WeakPolarHBondContact OD1-CA 3.13Å; D570-I572 WeakPolarHBondContact OD1-CB 3.32Å; D570-I572 PolarHBondContact OD1-N 2.89Å; I572-A627 HydrophobicContact CD1-CB 3.47Å; I572-A627 VanDerWaalsContact CD1-CB 3.47Å; I572-A627 HydrophobicContact CG1-CB 3.87Å
573Q72.6Confident73.6Confident102 Ų10247.6 Ų47.648%0.47726%0.259SS..THydrogen-bonded Turntrans-90.7-10.3178.1-60.3-172.7-19.600112.9D570 M575D570-Q573 HydrophobicContact CB-CB 4.37Å; D570-Q573 PolarHBondContact OD1-N 3.46Å; Q573-M575 HydrophobicContact CB-CB 4.12Å; Q573-M575 HydrophobicContact CB-CG 3.87Å; Q573-M575 HydrophobicContact CB-SD 4.09Å; Q573-M575 PolarHBondContact O-N 2.92Å
574S75.1Confident72.8Confident27 Ų2745.2 Ų45.219%0.18925%0.247CC..THydrogen-bonded Turntrans51.436.8-168.6-54.70000112.5A159 L160 D570A159-S574 CarbonylContact C-O 3.13Å; A159-S574 VanDerWaalsContact CA-O 3.28Å; A159-S574 WeakPolarHBondContact CA-O 3.47Å; A159-S574 WeakPolarHBondContact CB-O 3.49Å; L160-S574 PolarHBondContact N-O 3.1Å; D570-S574 CarbonylContact O-C 3.55Å; D570-S574 WeakPolarHBondContact O-CA 3.46Å; D570-S574 PolarHBondContact O-N 3.06Å
575M76.1Confident72Confident26 Ų2645.5 Ų45.513%0.12826%0.257CS..EExtended strand (participates in β ladder)trans-106.4148.4-174.1-78.9-173.6176.900112.3N162 Y569 D570 Q573N162-M575 HydrophobicContact CB-CE 3.95Å; N162-M575 HydrophobicContact CB-CG 4.33Å; N162-M575 HydrophobicContact CB-SD 4.12Å; N162-M575 PolarHBondContact ND2-SD 2.96Å; Y569-M575 WeakPolarHBondContact CA-O 3.43Å; Y569-M575 VanDerWaalsContact CD2-O 3.29Å; Y569-M575 WeakPolarHBondContact CD2-O 3.39Å; D570-M575 PolarHBondContact N-O 3.19Å; D570-M575 PolarHBondContact O-N 3.4Å; D570-M575 VanDerWaalsContact O-N 3.09Å; Q573-M575 HydrophobicContact CB-CB 4.12Å; Q573-M575 HydrophobicContact CB-CG 3.87Å; Q573-M575 HydrophobicContact CB-SD 4.09Å; Q573-M575 PolarHBondContact O-N 2.92Å
576L76.8Confident71Confident15 Ų1550.5 Ų50.58%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-121.8121.8-176.7-166.574.6000111.7S153 F157 A159 V567 Y569S153-L576 WeakPolarHBondContact OG-CD2 3.35Å; F157-L576 HydrophobicContact CD2-CD1 3.45Å; F157-L576 VanDerWaalsContact CD2-CD1 3.45Å; F157-L576 HydrophobicContact CE2-CD1 3.82Å; F157-L576 HydrophobicContact CG-CD1 4.07Å; A159-L576 HydrophobicContact CB-CB 3.85Å; V567-L576 HydrophobicContact CG1-CD1 3.49Å; V567-L576 VanDerWaalsContact CG1-CD1 3.49Å; V567-L576 HydrophobicContact CG1-CG 4.26Å; Y569-L576 HydrophobicContact CD2-CD1 4.23Å
577T76.4Confident69.9Low36 Ų3655.6 Ų55.622%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-115.3115172.9-53.20000109.3F566 H568F566-T577 HydrophobicContact CE2-CG2 4.33Å; H568-T577 PolarHBondContact N-O 3.03Å; H568-T577 PolarHBondContact O-N 3.24Å
578A74.2Confident69.2Low32 Ų3256.5 Ų56.526%0.26432%0.318SS..EExtended strand (participates in β ladder)trans-139.4151.1-17800000111.6F566 V567F566-A578 WeakPolarHBondContact O-CA 3.24Å; V567-A578 HydrophobicContact CB-CB 4.47Å; V567-A578 HydrophobicContact CG1-CB 4.46Å; V567-A578 HydrophobicContact CG2-CB 3.98Å
579N72.7Confident68.9Low42 Ų4262 Ų6223%0.22534%0.338CS..  trans-100.922.517176.4-25000113.2Y564 S565 F566Y564-N579 PolarHBondContact O-ND2 3.12Å; S565-N579 VanDerWaalsContact CA-OD1 3.31Å; S565-N579 WeakPolarHBondContact CA-OD1 3.5Å; F566-N579 HydrophobicContact CD1-CB 3.95Å; F566-N579 HydrophobicContact CE1-CB 3.7Å; F566-N579 PolarHBondContact N-OD1 3.36Å; F566-N579 PolarHBondContact O-N 2.94Å; F566-N579 PolarHBondContact O-OD1 3.47Å
580L64.6Low68.6Low33 Ų3367.6 Ų67.617%0.17336%0.359CS..SBendtrans-84.6150.7175.9-70.5169.7000111V567 D588 F591 L592V567-L580 HydrophobicContact CG2-CD1 3.66Å; L580-D588 HydrophobicContact CD2-CB 4.06Å; L580-D588 WeakPolarHBondContact CD2-OD1 3.29Å; L580-F591 HydrophobicContact CD1-CD1 4.01Å; L580-F591 HydrophobicContact CD1-CE1 4.06Å; L580-F591 HydrophobicContact CD2-CD1 4.05Å; L580-F591 HydrophobicContact CD2-CE1 4.35Å; L580-F591 HydrophobicContact CG-CD1 4.48Å; L580-F591 HydrophobicContact CG-CE1 4.43Å; L580-L592 HydrophobicContact CD1-CD2 4.2Å
581S53.9Low68.6Low69 Ų6966.7 Ų66.748%0.48335%0.354SS..  trans-68147.9166.9-179.90000110.5V583S581-V583 WeakPolarHBondContact CB-O 3.16Å; S581-V583 PolarHBondContact O-N 2.96Å; S581-V583 PolarHBondContact OG-N 2.88Å; S581-V583 PolarHBondContact OG-O 2.84Å
582L49Very low68.7Low137 Ų13763.8 Ų63.872%0.71734%0.344SS*.SBendtrans-60.9-24.8172.3-170.964.9000112.1
583V47.5Very low68.9Low116 Ų11663.2 Ų63.270%0.70334%0.339SS*.SBendtrans-102.9106.1171.9-177.70000109S581 A585S581-V583 WeakPolarHBondContact CB-O 3.16Å; S581-V583 PolarHBondContact O-N 2.96Å; S581-V583 PolarHBondContact OG-N 2.88Å; S581-V583 PolarHBondContact OG-O 2.84Å; V583-A585 PolarHBondContact O-N 2.85Å
584A53Low69.5Low26 Ų2659.1 Ų59.122%0.21532%0.322CS..  trans-66.7120.3-176.600000112.5D588 R589 L592A584-D588 HydrophobicContact CB-CB 4.13Å; A584-R589 HydrophobicContact CB-CG 4.21Å; A584-L592 HydrophobicContact CB-CD1 3.94Å
585A60.2Low70Confident44 Ų4457.8 Ų57.836%0.36431%0.313SS..  trans-72165.9172.500000111.5V583 Q587 D588 R589V583-A585 PolarHBondContact O-N 2.85Å; A585-Q587 PolarHBondContact O-N 3.23Å; A585-D588 VanDerWaalsContact CB-OD2 3.23Å; A585-D588 WeakPolarHBondContact CB-OD2 3.48Å; A585-D588 PolarHBondContact N-OD2 2.71Å; A585-D588 WeakPolarHBondContact O-CB 2.93Å; A585-D588 PolarHBondContact O-N 3.1Å; A585-R589 PolarHBondContact O-N 3.17Å
586P60.1Low70.5Confident107 Ų10757.4 Ų57.470%0.69531%0.312SS*.THydrogen-bonded Turntrans-60.7-16179.4-2635.8000115.5
587Q61.3Low70.9Confident112 Ų11260.8 Ų60.852%0.52333%0.33SS..THydrogen-bonded Turntrans-85.6-43.2171.8-57.9-166.642.300111.1A585 R589 R590 F591A585-Q587 PolarHBondContact O-N 3.23Å; Q587-R589 VanDerWaalsContact C-N 3.27Å; Q587-R589 PolarHBondContact O-N 3.07Å; Q587-R590 PolarHBondContact O-N 3.4Å; Q587-F591 PolarHBondContact O-N 2.92Å
588D71.1Confident71.5Confident19 Ų1959.1 Ų59.110%0.10232%0.319CS..Hα-helixtrans-59.2-37.4177.4-52.8-32000111.6L580 A584 A585 R590 F591 L592L580-D588 HydrophobicContact CD2-CB 4.06Å; L580-D588 WeakPolarHBondContact CD2-OD1 3.29Å; A584-D588 HydrophobicContact CB-CB 4.13Å; A585-D588 VanDerWaalsContact CB-OD2 3.23Å; A585-D588 WeakPolarHBondContact CB-OD2 3.48Å; A585-D588 PolarHBondContact N-OD2 2.71Å; A585-D588 WeakPolarHBondContact O-CB 2.93Å; A585-D588 PolarHBondContact O-N 3.1Å; D588-R590 VanDerWaalsContact C-N 3.28Å; D588-R590 PolarHBondContact O-N 3.38Å; D588-F591 CarbonylContact O-C 3.56Å; D588-F591 WeakPolarHBondContact O-CA 3.42Å; D588-F591 WeakPolarHBondContact O-CB 3.29Å; D588-F591 PolarHBondContact O-N 2.83Å; D588-L592 WeakPolarHBondContact O-CG 3.29Å; D588-L592 PolarHBondContact O-N 2.8Å
589R76.6Confident72.1Confident133 Ų13358 Ų5850%0.50231%0.308SS..Hα-helixtrans-56-38.8174.3-77.2-172.3159.6172.2-2.6113.7E152 A584 A585 Q587 Q593E152-R589 IonicContact OE1-CZ 2.79Å; E152-R589 IonicContact OE1-NE 3.6Å; E152-R589 PolarHBondContact OE1-NE 2.83Å; E152-R589 IonicContact OE1-NH2 3.73Å; E152-R589 PolarHBondContact OE1-NH2 2.9Å; E152-R589 IonicContact OE2-NE 3.79Å; A584-R589 HydrophobicContact CB-CG 4.21Å; A585-R589 PolarHBondContact O-N 3.17Å; Q587-R589 VanDerWaalsContact C-N 3.27Å; Q587-R589 PolarHBondContact O-N 3.07Å; R589-Q593 WeakPolarHBondContact O-CB 3.23Å; R589-Q593 WeakPolarHBondContact O-CG 3.46Å; R589-Q593 PolarHBondContact O-N 2.94Å
590R78.6Confident72.7Confident134 Ų13456.9 Ų56.951%0.50630%0.304SS..Hα-helixtrans-73-30175.4-63.4-173.7-172.6135.38.6112.4Q587 D588 A594Q587-R590 PolarHBondContact O-N 3.4Å; D588-R590 VanDerWaalsContact C-N 3.28Å; D588-R590 PolarHBondContact O-N 3.38Å; R590-A594 WeakPolarHBondContact O-CB 3.21Å; R590-A594 PolarHBondContact O-N 2.87Å
591F81.6Confident73.9Confident0 Ų057.4 Ų57.40%031%0.307CS..Hα-helixtrans-68.8-47.5172.8-177.3-141.5000110.3S565 V567 L580 Q587 D588 A594 I595 V620 Q633S565-F591 VanDerWaalsContact CB-CE1 3.41Å; V567-F591 HydrophobicContact CG2-CE1 3.95Å; V567-F591 HydrophobicContact CG2-CZ 4.31Å; L580-F591 HydrophobicContact CD1-CD1 4.01Å; L580-F591 HydrophobicContact CD1-CE1 4.06Å; L580-F591 HydrophobicContact CD2-CD1 4.05Å; L580-F591 HydrophobicContact CD2-CE1 4.35Å; L580-F591 HydrophobicContact CG-CD1 4.48Å; L580-F591 HydrophobicContact CG-CE1 4.43Å; Q587-F591 PolarHBondContact O-N 2.92Å; D588-F591 CarbonylContact O-C 3.56Å; D588-F591 WeakPolarHBondContact O-CA 3.42Å; D588-F591 WeakPolarHBondContact O-CB 3.29Å; D588-F591 PolarHBondContact O-N 2.83Å; F591-A594 PolarHBondContact O-N 3.34Å; F591-I595 HydrophobicContact CD1-CD1 3.89Å; F591-I595 HydrophobicContact CD2-CD1 3.82Å; F591-I595 HydrophobicContact CD2-CG1 4.06Å; F591-I595 HydrophobicContact CE1-CD1 3.81Å; F591-I595 HydrophobicContact CE2-CD1 3.73Å; F591-I595 HydrophobicContact CE2-CG1 3.99Å; F591-I595 HydrophobicContact CG-CD1 3.91Å; F591-I595 HydrophobicContact CZ-CD1 3.75Å; F591-I595 HydrophobicContact CZ-CG1 4.43Å; F591-I595 WeakPolarHBondContact O-CG1 3.44Å; F591-I595 PolarHBondContact O-N 3.33Å; F591-V620 HydrophobicContact CD2-CG1 4.03Å; F591-V620 HydrophobicContact CD2-CG2 3.78Å; F591-V620 HydrophobicContact CE2-CG1 3.8Å; F591-V620 HydrophobicContact CE2-CG2 4.3Å; F591-Q633 HydrophobicContact CD2-CB 3.75Å; F591-Q633 HydrophobicContact CD2-CG 4.49Å; F591-Q633 HydrophobicContact CE2-CB 3.69Å; F591-Q633 HydrophobicContact CG-CB 4.29Å; F591-Q633 HydrophobicContact CZ-CB 4.17Å
592L81.4Confident75.5Confident12 Ų1254.3 Ų54.36%0.06329%0.285CS..Hα-helixtrans-62.7-40.9176.9-68.5166.2000112.7E152 I156 L580 A584 D588 I595 N596E152-L592 HydrophobicContact CB-CD1 3.96Å; I156-L592 HydrophobicContact CD1-CB 4.19Å; I156-L592 HydrophobicContact CD1-CD2 4.01Å; L580-L592 HydrophobicContact CD1-CD2 4.2Å; A584-L592 HydrophobicContact CB-CD1 3.94Å; D588-L592 WeakPolarHBondContact O-CG 3.29Å; D588-L592 PolarHBondContact O-N 2.8Å; L592-I595 HydrophobicContact CD2-CD1 4.36Å; L592-I595 PolarHBondContact O-N 2.93Å; L592-N596 WeakPolarHBondContact O-CB 3.33Å; L592-N596 PolarHBondContact O-N 2.82Å
593Q83.3Confident77.1Confident106 Ų10650 Ų5050%0.49527%0.27SS..Hα-helixtrans-61.7-42.1171.9-78.4178.2-38.600112.3E99 R589 N596 L597E99-Q593 PolarHBondContact OE2-NE2 3.16Å; R589-Q593 WeakPolarHBondContact O-CB 3.23Å; R589-Q593 WeakPolarHBondContact O-CG 3.46Å; R589-Q593 PolarHBondContact O-N 2.94Å; Q593-N596 PolarHBondContact O-N 2.85Å; Q593-L597 PolarHBondContact O-N 3.49Å; Q593-L597 VanDerWaalsContact O-N 3.14Å
594A85.7Confident78.9Confident15 Ų1550.5 Ų50.512%0.12426%0.264CS..Hα-helixtrans-67.2-40.7175.700000112.3R590 F591 L597 V598 V613 V620R590-A594 WeakPolarHBondContact O-CB 3.21Å; R590-A594 PolarHBondContact O-N 2.87Å; F591-A594 PolarHBondContact O-N 3.34Å; A594-L597 PolarHBondContact O-N 3.25Å; A594-V598 VanDerWaalsContact O-CG2 3.31Å; A594-V598 WeakPolarHBondContact O-CG2 3.39Å; A594-V598 PolarHBondContact O-N 3.5Å; A594-V613 HydrophobicContact CB-CG1 4.49Å; A594-V620 HydrophobicContact CB-CB 4.44Å; A594-V620 HydrophobicContact CB-CG2 4.05Å
595I86.9Confident80.5Confident0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-59.1-49.1173.7-69.7163.1000110.2I156 F157 V567 F591 L592 L597 V598 H599 Y631I156-I595 HydrophobicContact CG2-CG2 4.27Å; F157-I595 HydrophobicContact CE1-CG2 4.35Å; F157-I595 HydrophobicContact CE2-CG2 3.77Å; F157-I595 HydrophobicContact CZ-CG2 3.35Å; V567-I595 HydrophobicContact CB-CD1 4.24Å; V567-I595 HydrophobicContact CG2-CD1 3.75Å; F591-I595 HydrophobicContact CD1-CD1 3.89Å; F591-I595 HydrophobicContact CD2-CD1 3.82Å; F591-I595 HydrophobicContact CD2-CG1 4.06Å; F591-I595 HydrophobicContact CE1-CD1 3.81Å; F591-I595 HydrophobicContact CE2-CD1 3.73Å; F591-I595 HydrophobicContact CE2-CG1 3.99Å; F591-I595 HydrophobicContact CG-CD1 3.91Å; F591-I595 HydrophobicContact CZ-CD1 3.75Å; F591-I595 HydrophobicContact CZ-CG1 4.43Å; F591-I595 WeakPolarHBondContact O-CG1 3.44Å; F591-I595 PolarHBondContact O-N 3.33Å; L592-I595 HydrophobicContact CD2-CD1 4.36Å; L592-I595 PolarHBondContact O-N 2.93Å; I595-L597 VanDerWaalsContact C-N 3.33Å; I595-L597 PolarHBondContact O-N 3.27Å; I595-V598 PolarHBondContact O-N 3.45Å; I595-H599 VanDerWaalsContact O-CB 3.29Å; I595-H599 WeakPolarHBondContact O-CB 3.38Å; I595-H599 PolarHBondContact O-N 3.09Å; I595-Y631 HydrophobicContact CB-CD1 4.22Å; I595-Y631 HydrophobicContact CB-CE1 4.41Å; I595-Y631 HydrophobicContact CB-CG 4.5Å; I595-Y631 HydrophobicContact CG1-CD1 3.77Å; I595-Y631 HydrophobicContact CG1-CE1 4.45Å; I595-Y631 HydrophobicContact CG1-CG 3.81Å; I595-Y631 HydrophobicContact CG2-CD1 4.12Å; I595-Y631 HydrophobicContact CG2-CD2 4.16Å; I595-Y631 HydrophobicContact CG2-CE1 4.05Å; I595-Y631 HydrophobicContact CG2-CE2 4.11Å; I595-Y631 HydrophobicContact CG2-CG 4.17Å
596N84.8Confident81.4Confident18 Ų1856.4 Ų56.410%0.09629%0.291CS..Hα-helixtrans-62.8-38.4-177.4-171.748.6000112.6E99 S101 I156 L592 Q593 S600E99-N596 PolarHBondContact O-ND2 3.44Å; S101-N596 WeakPolarHBondContact CB-OD1 3.33Å; S101-N596 PolarHBondContact N-ND2 2.96Å; S101-N596 PolarHBondContact N-OD1 2.77Å; I156-N596 HydrophobicContact CD1-CB 3.95Å; I156-N596 HydrophobicContact CG1-CB 3.98Å; I156-N596 HydrophobicContact CG2-CB 4.22Å; L592-N596 WeakPolarHBondContact O-CB 3.33Å; L592-N596 PolarHBondContact O-N 2.82Å; Q593-N596 PolarHBondContact O-N 2.85Å; N596-S600 PolarHBondContact O-N 3.37Å; N596-S600 VanDerWaalsContact O-N 3.1Å; N596-S600 PolarHBondContact O-OG 3.15Å
597L86.3Confident82.6Confident86 Ų8656.5 Ų56.545%0.4529%0.29SS..Hα-helixtrans-62.1-52.4172.2-178.6149.3000110.9Q593 A594 I595 H599 S600 D601 M611 V613Q593-L597 PolarHBondContact O-N 3.49Å; Q593-L597 VanDerWaalsContact O-N 3.14Å; A594-L597 PolarHBondContact O-N 3.25Å; I595-L597 VanDerWaalsContact C-N 3.33Å; I595-L597 PolarHBondContact O-N 3.27Å; L597-H599 PolarHBondContact O-N 3.03Å; L597-S600 WeakPolarHBondContact O-CA 3.36Å; L597-S600 WeakPolarHBondContact O-CB 3.24Å; L597-S600 PolarHBondContact O-N 2.9Å; L597-S600 VanDerWaalsContact O-N 3.09Å; L597-D601 WeakPolarHBondContact CD2-OD2 3.4Å; L597-D601 PolarHBondContact O-N 3.15Å; L597-M611 HydrophobicContact CD2-CE 4.3Å; L597-V613 HydrophobicContact CD2-CG2 4.47Å
598V88.4Confident83.8Confident1 Ų153.1 Ų53.11%0.00628%0.275CS..Hα-helixtrans-68.5-33.6-176.4176.80000112.5A594 I595 S600 D601 F602 M611 V613 A622 Y631A594-V598 VanDerWaalsContact O-CG2 3.31Å; A594-V598 WeakPolarHBondContact O-CG2 3.39Å; A594-V598 PolarHBondContact O-N 3.5Å; I595-V598 PolarHBondContact O-N 3.45Å; V598-S600 VanDerWaalsContact C-N 3.32Å; V598-S600 PolarHBondContact O-N 3.32Å; V598-D601 PolarHBondContact O-N 3.32Å; V598-F602 HydrophobicContact CG1-CD2 3.85Å; V598-F602 HydrophobicContact CG1-CE1 4.22Å; V598-F602 HydrophobicContact CG1-CE2 3.49Å; V598-F602 VanDerWaalsContact CG1-CE2 3.49Å; V598-F602 HydrophobicContact CG1-CG 4.36Å; V598-F602 HydrophobicContact CG1-CZ 3.69Å; V598-F602 WeakPolarHBondContact O-CD2 3.44Å; V598-F602 WeakPolarHBondContact O-CG 3.5Å; V598-F602 PolarHBondContact O-N 3.17Å; V598-M611 HydrophobicContact CB-SD 4.24Å; V598-M611 HydrophobicContact CG1-CB 4.13Å; V598-M611 HydrophobicContact CG1-CG 4.46Å; V598-M611 HydrophobicContact CG1-SD 3.81Å; V598-M611 HydrophobicContact CG2-CE 4.35Å; V598-M611 HydrophobicContact CG2-CG 4.42Å; V598-M611 HydrophobicContact CG2-SD 3.76Å; V598-V613 HydrophobicContact CG2-CB 4.48Å; V598-V613 HydrophobicContact CG2-CG2 3.42Å; V598-V613 VanDerWaalsContact CG2-CG2 3.42Å; V598-A622 HydrophobicContact CG1-CB 3.64Å; V598-Y631 HydrophobicContact CB-CE1 3.95Å; V598-Y631 HydrophobicContact CG1-CE1 3.85Å
599H88Confident84.6Confident7 Ų759 Ų593%0.03230%0.297CS..Hα-helixtrans-62-40.4171-177.364.9000111.3I156 F157 I595 L597 D601 A603 E629 Y631I156-H599 HydrophobicContact CG2-CB 4.29Å; F157-H599 AromaticContact CD1-CE1 3.79Å; F157-H599 AromaticContact CD1-ND1 3.75Å; F157-H599 HydrophobicContact CE1-CB 4.39Å; F157-H599 AromaticContact CE1-CG 4Å; F157-H599 AromaticContact CE1-ND1 3.64Å; I595-H599 VanDerWaalsContact O-CB 3.29Å; I595-H599 WeakPolarHBondContact O-CB 3.38Å; I595-H599 PolarHBondContact O-N 3.09Å; L597-H599 PolarHBondContact O-N 3.03Å; H599-D601 VanDerWaalsContact C-N 3.3Å; H599-D601 PolarHBondContact O-N 2.98Å; H599-A603 VanDerWaalsContact O-CB 3.3Å; H599-A603 WeakPolarHBondContact O-CB 3.35Å; H599-A603 PolarHBondContact O-N 2.88Å; H599-E629 IonicContact CE1-OE1 3.29Å; H599-E629 PolarHBondContact CE1-OE1 3.46Å; H599-E629 IonicContact CE1-OE2 2.8Å; H599-E629 IonicContact CG-OE2 3.13Å; H599-E629 VanDerWaalsContact ND1-CD 3.35Å; H599-E629 IonicContact ND1-OE1 3.53Å; H599-E629 PolarHBondContact ND1-OE1 3.4Å; H599-E629 VanDerWaalsContact ND1-OE1 3.14Å; H599-E629 IonicContact ND1-OE2 3.86Å; H599-E629 PolarHBondContact ND1-OE2 2.66Å; H599-Y631 WeakPolarHBondContact CA-OH 3.29Å; H599-Y631 WeakPolarHBondContact CB-OH 3.43Å; H599-Y631 PolarHBondContact N-OH 2.88Å
600S85.4Confident85.2Confident20 Ų2058.8 Ų58.814%0.1430%0.302CS..Hα-helixtrans-59.8-41.1172.6-510000111.7S101 N596 L597 V598 Q604S101-S600 WeakPolarHBondContact CB-OG 3.45Å; N596-S600 PolarHBondContact O-N 3.37Å; N596-S600 VanDerWaalsContact O-N 3.1Å; N596-S600 PolarHBondContact O-OG 3.15Å; L597-S600 WeakPolarHBondContact O-CA 3.36Å; L597-S600 WeakPolarHBondContact O-CB 3.24Å; L597-S600 PolarHBondContact O-N 2.9Å; L597-S600 VanDerWaalsContact O-N 3.09Å; V598-S600 VanDerWaalsContact C-N 3.32Å; V598-S600 PolarHBondContact O-N 3.32Å; S600-Q604 WeakPolarHBondContact O-CG 3.34Å; S600-Q604 PolarHBondContact O-N 3.01Å; S600-Q604 PolarHBondContact O-NE2 3.48Å
601D87.9Confident85.7Confident44 Ų4454.6 Ų54.624%0.23529%0.289CS..Hα-helixtrans-74.5-43.5-177.6-65.6-19.5000111.6L597 V598 H599 A603 Q604 L605 M611L597-D601 WeakPolarHBondContact CD2-OD2 3.4Å; L597-D601 PolarHBondContact O-N 3.15Å; V598-D601 PolarHBondContact O-N 3.32Å; H599-D601 VanDerWaalsContact C-N 3.3Å; H599-D601 PolarHBondContact O-N 2.98Å; D601-A603 PolarHBondContact O-N 2.86Å; D601-Q604 PolarHBondContact O-N 3.32Å; D601-Q604 VanDerWaalsContact O-N 3.13Å; D601-L605 WeakPolarHBondContact O-CB 3.48Å; D601-L605 PolarHBondContact O-N 2.84Å; D601-M611 HydrophobicContact CB-SD 4.44Å
602F87.7Confident86Confident3 Ų357.7 Ų57.71%0.01331%0.308CS..Hα-helixtrans-60-30.8172.3-72.2-34.6000113.1V598 L608 M611 A622 C624 E629 Y631V598-F602 HydrophobicContact CG1-CD2 3.85Å; V598-F602 HydrophobicContact CG1-CE1 4.22Å; V598-F602 HydrophobicContact CG1-CE2 3.49Å; V598-F602 VanDerWaalsContact CG1-CE2 3.49Å; V598-F602 HydrophobicContact CG1-CG 4.36Å; V598-F602 HydrophobicContact CG1-CZ 3.69Å; V598-F602 WeakPolarHBondContact O-CD2 3.44Å; V598-F602 WeakPolarHBondContact O-CG 3.5Å; V598-F602 PolarHBondContact O-N 3.17Å; F602-L608 HydrophobicContact CD1-CD2 3.99Å; F602-L608 WeakPolarHBondContact CD1-O 3.26Å; F602-L608 HydrophobicContact CE1-CD2 3.68Å; F602-L608 VanDerWaalsContact CE1-O 3.23Å; F602-L608 WeakPolarHBondContact CE1-O 3.31Å; F602-M611 HydrophobicContact CE1-CB 4.47Å; F602-A622 HydrophobicContact CE2-CB 4.07Å; F602-A622 HydrophobicContact CZ-CB 3.94Å; F602-C624 HydrophobicContact CD1-CB 4.06Å; F602-C624 VanDerWaalsContact CD1-SG 3.57Å; F602-C624 HydrophobicContact CD2-CB 3.89Å; F602-C624 HydrophobicContact CE1-CB 4.09Å; F602-C624 HydrophobicContact CE2-CB 3.91Å; F602-C624 HydrophobicContact CG-CB 3.98Å; F602-C624 HydrophobicContact CZ-CB 4.03Å; F602-E629 HydrophobicContact CD2-CG 4.3Å; F602-Y631 WeakPolarHBondContact CD2-OH 3.22Å; F602-Y631 HydrophobicContact CE2-CE1 4.08Å; F602-Y631 AromaticContact CE2-CZ 3.98Å
603A84.1Confident86.3Confident48 Ų4859 Ų5940%0.39732%0.316SS..Hα-helixtrans-80.8-22.617700000113.4V103 H599 D601V103-A603 HydrophobicContact CB-CB 4.46Å; V103-A603 HydrophobicContact CG1-CB 4.17Å; V103-A603 HydrophobicContact CG2-CB 3.85Å; H599-A603 VanDerWaalsContact O-CB 3.3Å; H599-A603 WeakPolarHBondContact O-CB 3.35Å; H599-A603 PolarHBondContact O-N 2.88Å; D601-A603 PolarHBondContact O-N 2.86Å
604Q84.2Confident86.3Confident126 Ų12657 Ų5759%0.58930%0.304SS*.Hα-helixtrans-90.2-32.6174.5-74.1169.891.800112.8S600 D601 P606S600-Q604 WeakPolarHBondContact O-CG 3.34Å; S600-Q604 PolarHBondContact O-N 3.01Å; S600-Q604 PolarHBondContact O-NE2 3.48Å; D601-Q604 PolarHBondContact O-N 3.32Å; D601-Q604 VanDerWaalsContact O-N 3.13Å; Q604-P606 WeakPolarHBondContact O-CD 3.5Å
605L86.1Confident86Confident87 Ų8759.4 Ų59.446%0.45532%0.315SS..  trans-12281-171.8-60.6177000110.6D601 T607 L608D601-L605 WeakPolarHBondContact O-CB 3.48Å; D601-L605 PolarHBondContact O-N 2.84Å; L605-T607 PolarHBondContact O-N 2.89Å; L605-L608 HydrophobicContact CB-CB 4.06Å; L605-L608 HydrophobicContact CB-CD1 4.33Å; L605-L608 HydrophobicContact CD1-CD1 3.95Å; L605-L608 VanDerWaalsContact O-CB 3.3Å; L605-L608 WeakPolarHBondContact O-CB 3.19Å; L605-L608 PolarHBondContact O-N 2.85Å
606P80.3Confident85.4Confident107 Ų10761.9 Ų61.970%0.69534%0.335SS*.THydrogen-bonded Turntrans-66-2.9-177.227.7-36.4000114.7Q604Q604-P606 WeakPolarHBondContact O-CD 3.5Å
607T85.5Confident84.8Confident109 Ų10963 Ų6367%0.66934%0.344SS*.THydrogen-bonded Turntrans-91.2-2.6172.656.20000113.7L605 Y609L605-T607 PolarHBondContact O-N 2.89Å; T607-Y609 WeakPolarHBondContact O-CD2 3.41Å
608L86.4Confident84.4Confident41 Ų4160.1 Ų60.122%0.21533%0.33CS..  trans-97.993.4-171.8-158.3166.9000110.2F602 L605 E610 M611 C624F602-L608 HydrophobicContact CD1-CD2 3.99Å; F602-L608 WeakPolarHBondContact CD1-O 3.26Å; F602-L608 HydrophobicContact CE1-CD2 3.68Å; F602-L608 VanDerWaalsContact CE1-O 3.23Å; F602-L608 WeakPolarHBondContact CE1-O 3.31Å; L605-L608 HydrophobicContact CB-CB 4.06Å; L605-L608 HydrophobicContact CB-CD1 4.33Å; L605-L608 HydrophobicContact CD1-CD1 3.95Å; L605-L608 VanDerWaalsContact O-CB 3.3Å; L605-L608 WeakPolarHBondContact O-CB 3.19Å; L605-L608 PolarHBondContact O-N 2.85Å; L608-E610 VanDerWaalsContact CD2-O 3.3Å; L608-E610 WeakPolarHBondContact CD2-O 3.4Å; L608-M611 HydrophobicContact CD2-CB 3.92Å; L608-M611 HydrophobicContact CD2-CG 4.44Å; L608-M611 HydrophobicContact CD2-SD 4.43Å; L608-C624 PolarHBondContact O-SG 2.81Å
609Y86.6Confident84.2Confident141 Ų14160.2 Ų60.255%0.55333%0.332SS*.  trans-83.2-30.6-174.5-58.9-72.5000114.9T607 C623 C624T607-Y609 WeakPolarHBondContact O-CD2 3.41Å; Y609-C623 CarbonylContact O-C 3.58Å; Y609-C623 WeakPolarHBondContact O-CA 3.28Å; Y609-C623 WeakPolarHBondContact O-CB 3.37Å; Y609-C624 PolarHBondContact O-N 2.73Å
610E89.8Confident84.1Confident129 Ų12960.1 Ų60.160%0.60333%0.331SS*.EExtended strand (participates in β ladder)trans-137141-178.7-67.8-172.4-175.400111.1L608 Y621 C623L608-E610 VanDerWaalsContact CD2-O 3.3Å; L608-E610 WeakPolarHBondContact CD2-O 3.4Å; E610-Y621 PolarHBondContact OE1-OH 3.34Å; E610-C623 HydrophobicContact CG-CB 4.14Å
611M89.2Confident84.2Confident47 Ų4759.6 Ų59.623%0.23233%0.326CS..EExtended strand (participates in β ladder)trans-143145.4177.5-161.5168.8178.600110.3L597 V598 D601 F602 L608 V613 A622L597-M611 HydrophobicContact CD2-CE 4.3Å; V598-M611 HydrophobicContact CB-SD 4.24Å; V598-M611 HydrophobicContact CG1-CB 4.13Å; V598-M611 HydrophobicContact CG1-CG 4.46Å; V598-M611 HydrophobicContact CG1-SD 3.81Å; V598-M611 HydrophobicContact CG2-CE 4.35Å; V598-M611 HydrophobicContact CG2-CG 4.42Å; V598-M611 HydrophobicContact CG2-SD 3.76Å; D601-M611 HydrophobicContact CB-SD 4.44Å; F602-M611 HydrophobicContact CE1-CB 4.47Å; L608-M611 HydrophobicContact CD2-CB 3.92Å; L608-M611 HydrophobicContact CD2-CG 4.44Å; L608-M611 HydrophobicContact CD2-SD 4.43Å; M611-V613 HydrophobicContact CE-CG2 4Å; M611-V613 HydrophobicContact CG-CG2 4.36Å; M611-V613 HydrophobicContact SD-CG2 4.49Å; M611-A622 PolarHBondContact N-O 2.9Å; M611-A622 PolarHBondContact O-N 2.97Å
612T88.1Confident84.3Confident65 Ų6557.6 Ų57.640%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-131.8112.8171-63.50000109.7V620 A651 L654T612-V620 CarbonylContact C-O 3.48Å; T612-V620 WeakPolarHBondContact CA-O 3.48Å; T612-A651 HydrophobicContact CG2-CB 4.03Å; T612-L654 HydrophobicContact CG2-CD1 4.48Å
613V87.6Confident84.3Confident40 Ų4058.1 Ų58.124%0.24232%0.32CS..EExtended strand (participates in β ladder)trans-99.3127.1179.1176.60000109.2A594 L597 V598 M611 A619 V620A594-V613 HydrophobicContact CB-CG1 4.49Å; L597-V613 HydrophobicContact CD2-CG2 4.47Å; V598-V613 HydrophobicContact CG2-CB 4.48Å; V598-V613 HydrophobicContact CG2-CG2 3.42Å; V598-V613 VanDerWaalsContact CG2-CG2 3.42Å; M611-V613 HydrophobicContact CE-CG2 4Å; M611-V613 HydrophobicContact CG-CG2 4.36Å; M611-V613 HydrophobicContact SD-CG2 4.49Å; V613-A619 CarbonylContact O-C 3.34Å; V613-A619 WeakPolarHBondContact O-CA 3.36Å; V613-V620 PolarHBondContact N-O 2.92Å; V613-V620 PolarHBondContact O-N 2.93Å
614R84.1Confident84.5Confident64 Ų6456.6 Ų56.624%0.24231%0.306CS..EExtended strand (participates in β ladder)trans-124.9134.3-177.7172.9179.615689.45.1110.7A619 S641 D649R614-A619 HydrophobicContact CB-CB 4.08Å; R614-A619 HydrophobicContact CG-CB 4.26Å; R614-S641 PolarHBondContact NH2-O 3.2Å; R614-S641 PolarHBondContact NH2-OG 3.25Å; R614-D649 WeakPolarHBondContact CD-OD2 3.41Å; R614-D649 IonicContact CZ-OD1 2.79Å; R614-D649 IonicContact CZ-OD2 2.72Å; R614-D649 IonicContact NE-OD2 3.38Å; R614-D649 PolarHBondContact NE-OD2 2.94Å; R614-D649 IonicContact NH1-OD1 3.77Å; R614-D649 PolarHBondContact NH1-OD1 2.87Å; R614-D649 IonicContact NH1-OD2 3.71Å; R614-D649 PolarHBondContact NH1-OD2 3.43Å; R614-D649 IonicContact NH2-OD2 2.66Å
615N78.7Confident84.5Confident64 Ų6453.1 Ų53.134%0.34229%0.291SS..  trans-114178.4163.770.165.9000110S617 T618N615-S617 PolarHBondContact O-N 3.33Å; N615-S617 WeakPolarHBondContact OD1-CA 3.41Å; N615-S617 PolarHBondContact OD1-N 3.17Å; N615-S617 PolarHBondContact OD1-OG 3.28Å; N615-T618 PolarHBondContact N-O 3.18Å; N615-T618 PolarHBondContact ND2-O 2.84Å; N615-T618 PolarHBondContact ND2-OG1 2.69Å; N615-T618 PolarHBondContact OD1-N 3.32Å
616A74.6Confident84.2Confident53 Ų5354.4 Ų54.444%0.43831%0.305SS..SBendtrans-66.1-1.2-17700000115.8
617S71.9Confident84.3Confident40 Ų4050.4 Ų50.428%0.2828%0.281SS..SBendtrans-134.3-27-176670000115.4N615 T638N615-S617 PolarHBondContact O-N 3.33Å; N615-S617 WeakPolarHBondContact OD1-CA 3.41Å; N615-S617 PolarHBondContact OD1-N 3.17Å; N615-S617 PolarHBondContact OD1-OG 3.28Å; S617-T638 PolarHBondContact O-OG1 2.66Å
618T76.9Confident84.3Confident26 Ų2648 Ų4816%0.1626%0.262CS..  trans-144.9155.2178.4590000111.4N615N615-T618 PolarHBondContact N-O 3.18Å; N615-T618 PolarHBondContact ND2-O 2.84Å; N615-T618 PolarHBondContact ND2-OG1 2.69Å; N615-T618 PolarHBondContact OD1-N 3.32Å
619A84.3Confident84.4Confident4 Ų446 Ų463%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-124.6146.816800000110.2V613 R614 A651 L654V613-A619 CarbonylContact O-C 3.34Å; V613-A619 WeakPolarHBondContact O-CA 3.36Å; R614-A619 HydrophobicContact CB-CB 4.08Å; R614-A619 HydrophobicContact CG-CB 4.26Å; A619-A651 HydrophobicContact CB-CB 4.08Å; A619-L654 HydrophobicContact CB-CD1 3.73Å; A619-L654 WeakPolarHBondContact O-CD1 3.35Å
620V86.8Confident84.5Confident4 Ų439.7 Ų39.72%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-124.4121.4-178.2177.40000107.6F591 A594 T612 V613 F632 Q633F591-V620 HydrophobicContact CD2-CG1 4.03Å; F591-V620 HydrophobicContact CD2-CG2 3.78Å; F591-V620 HydrophobicContact CE2-CG1 3.8Å; F591-V620 HydrophobicContact CE2-CG2 4.3Å; A594-V620 HydrophobicContact CB-CB 4.44Å; A594-V620 HydrophobicContact CB-CG2 4.05Å; T612-V620 CarbonylContact C-O 3.48Å; T612-V620 WeakPolarHBondContact CA-O 3.48Å; V613-V620 PolarHBondContact N-O 2.92Å; V613-V620 PolarHBondContact O-N 2.93Å; V620-F632 WeakPolarHBondContact CA-O 3.31Å; V620-Q633 HydrophobicContact CG2-CB 4.28Å; V620-Q633 HydrophobicContact CG2-CG 4.3Å
621Y88.1Confident84.4Confident10 Ų1033.5 Ų33.54%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-91139.8168.6171.7-93.4000108.9E610 C623 Y631 F632 L654 A655 A658 L669E610-Y621 PolarHBondContact OE1-OH 3.34Å; Y621-C623 HydrophobicContact CE1-CB 4.04Å; Y621-Y631 CarbonylContact O-C 3.55Å; Y621-Y631 WeakPolarHBondContact O-CA 3.5Å; Y621-F632 PolarHBondContact N-O 2.91Å; Y621-F632 PolarHBondContact O-N 2.86Å; Y621-L654 HydrophobicContact CG-CB 4.44Å; Y621-A655 HydrophobicContact CD2-CB 3.82Å; Y621-A655 HydrophobicContact CE2-CB 3.43Å; Y621-A655 VanDerWaalsContact CE2-CB 3.43Å; Y621-A658 HydrophobicContact CD1-CB 3.9Å; Y621-A658 HydrophobicContact CE1-CB 4.26Å; Y621-L669 HydrophobicContact CE1-CD1 3.93Å
622A89.5Confident84.3Confident1 Ų131.3 Ų31.31%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-139.5146.617800000109.9V598 F602 M611 T630 Y631V598-A622 HydrophobicContact CG1-CB 3.64Å; F602-A622 HydrophobicContact CE2-CB 4.07Å; F602-A622 HydrophobicContact CZ-CB 3.94Å; M611-A622 PolarHBondContact N-O 2.9Å; M611-A622 PolarHBondContact O-N 2.97Å; A622-T630 CarbonylContact C-O 3.59Å; A622-T630 VanDerWaalsContact CA-O 3.31Å; A622-T630 WeakPolarHBondContact CA-O 3.11Å; A622-Y631 HydrophobicContact CB-CD1 3.59Å; A622-Y631 HydrophobicContact CB-CE1 3.79Å
623C88Confident84.1Confident15 Ų1528.3 Ų28.310%0.10117%0.17CC..EExtended strand (participates in β ladder)trans-146.2147173.654.90000110.1Y609 E610 Y621 E629 T630Y609-C623 CarbonylContact O-C 3.58Å; Y609-C623 WeakPolarHBondContact O-CA 3.28Å; Y609-C623 WeakPolarHBondContact O-CB 3.37Å; E610-C623 HydrophobicContact CG-CB 4.14Å; Y621-C623 HydrophobicContact CE1-CB 4.04Å; C623-E629 CarbonylContact O-C 3.49Å; C623-E629 WeakPolarHBondContact O-CA 3.4Å; C623-T630 PolarHBondContact N-O 2.84Å; C623-T630 PolarHBondContact O-N 3.48Å
624C86.9Confident83.9Confident15 Ų1528.5 Ų28.510%0.10117%0.168CC..EExtended strand (participates in β ladder)trans-129.7149.717181.90000111.8F602 L608 Y609 Q628 E629F602-C624 HydrophobicContact CD1-CB 4.06Å; F602-C624 VanDerWaalsContact CD1-SG 3.57Å; F602-C624 HydrophobicContact CD2-CB 3.89Å; F602-C624 HydrophobicContact CE1-CB 4.09Å; F602-C624 HydrophobicContact CE2-CB 3.91Å; F602-C624 HydrophobicContact CG-CB 3.98Å; F602-C624 HydrophobicContact CZ-CB 4.03Å; L608-C624 PolarHBondContact O-SG 2.81Å; Y609-C624 PolarHBondContact O-N 2.73Å; C624-Q628 CarbonylContact C-O 3.46Å; C624-Q628 WeakPolarHBondContact CA-O 3.35Å; C624-E629 HydrophobicContact CB-CG 3.86Å
625N84.1Confident83.5Confident53 Ų5327.7 Ų27.728%0.28317%0.168SC..  trans-120.6174.8158.570.455.4000107.7R571 A627 Q628R571-N625 PolarHBondContact NH1-O 2.88Å; N625-A627 PolarHBondContact O-N 2.83Å; N625-A627 VanDerWaalsContact O-N 3.13Å; N625-A627 WeakPolarHBondContact OD1-CA 3.44Å; N625-A627 WeakPolarHBondContact OD1-CB 3.26Å; N625-A627 PolarHBondContact OD1-N 3.03Å; N625-Q628 PolarHBondContact N-O 2.9Å; N625-Q628 PolarHBondContact O-N 2.98Å; N625-Q628 PolarHBondContact OD1-N 3.32Å
626P80.9Confident82.8Confident114 Ų11427.6 Ų27.674%0.7417%0.17SC*.SBendtrans-56.6-30.9-178.2-28.237000114.3R571R571-P626 WeakPolarHBondContact CD-O 3.35Å
627A82.7Confident81.9Confident24 Ų2431.2 Ų31.220%0.19819%0.189CC..SBendtrans-92.7-27.4-17700000114.4R571 I572 N625R571-A627 WeakPolarHBondContact CA-O 3.12Å; R571-A627 VanDerWaalsContact CB-O 3.27Å; R571-A627 WeakPolarHBondContact CB-O 3.31Å; R571-A627 PolarHBondContact N-O 3.24Å; I572-A627 HydrophobicContact CD1-CB 3.47Å; I572-A627 VanDerWaalsContact CD1-CB 3.47Å; I572-A627 HydrophobicContact CG1-CB 3.87Å; N625-A627 PolarHBondContact O-N 2.83Å; N625-A627 VanDerWaalsContact O-N 3.13Å; N625-A627 WeakPolarHBondContact OD1-CA 3.44Å; N625-A627 WeakPolarHBondContact OD1-CB 3.26Å; N625-A627 PolarHBondContact OD1-N 3.03Å
628Q86Confident81.1Confident57 Ų5731.8 Ų31.827%0.26619%0.19SC..EExtended strand (participates in β ladder)trans-148.1149.3-165.5-64.8176.9-19.900113H568 Y569 D570 C624 N625H568-Q628 PolarHBondContact CE1-OE1 2.71Å; Y569-Q628 CarbonylContact O-C 3.53Å; Y569-Q628 WeakPolarHBondContact O-CA 3.46Å; D570-Q628 HydrophobicContact CB-CG 4.28Å; D570-Q628 VanDerWaalsContact OD2-CG 3.32Å; D570-Q628 WeakPolarHBondContact OD2-CG 3.37Å; D570-Q628 PolarHBondContact OD2-NE2 3.11Å; C624-Q628 CarbonylContact C-O 3.46Å; C624-Q628 WeakPolarHBondContact CA-O 3.35Å; N625-Q628 PolarHBondContact N-O 2.9Å; N625-Q628 PolarHBondContact O-N 2.98Å; N625-Q628 PolarHBondContact OD1-N 3.32Å
629E87.6Confident80.1Confident1 Ų136.6 Ų36.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-121.6139.7171.5-60.6174.4-153.800109.9H568 Y569 R571 H599 F602 C623 C624 Y631H568-E629 WeakPolarHBondContact CA-O 3.2Å; Y569-E629 PolarHBondContact N-O 2.92Å; Y569-E629 PolarHBondContact O-N 3.29Å; R571-E629 IonicContact CZ-OE1 3.43Å; R571-E629 IonicContact NE-OE1 2.62Å; R571-E629 PolarHBondContact NE-OE1 3.44Å; R571-E629 IonicContact NH2-OE1 3.81Å; R571-E629 PolarHBondContact NH2-OE1 2.91Å; H599-E629 IonicContact CE1-OE1 3.29Å; H599-E629 PolarHBondContact CE1-OE1 3.46Å; H599-E629 IonicContact CE1-OE2 2.8Å; H599-E629 IonicContact CG-OE2 3.13Å; H599-E629 VanDerWaalsContact ND1-CD 3.35Å; H599-E629 IonicContact ND1-OE1 3.53Å; H599-E629 PolarHBondContact ND1-OE1 3.4Å; H599-E629 VanDerWaalsContact ND1-OE1 3.14Å; H599-E629 IonicContact ND1-OE2 3.86Å; H599-E629 PolarHBondContact ND1-OE2 2.66Å; F602-E629 HydrophobicContact CD2-CG 4.3Å; C623-E629 CarbonylContact O-C 3.49Å; C623-E629 WeakPolarHBondContact O-CA 3.4Å; C624-E629 HydrophobicContact CB-CG 3.86Å; E629-Y631 HydrophobicContact CB-CE2 3.69Å; E629-Y631 PolarHBondContact OE2-OH 3.18Å
630T87.6Confident78.7Confident7 Ų747.2 Ų47.24%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-137129.8176.7-46.10000112V567 H568 A622 C623 L662 V667 L669V567-T630 WeakPolarHBondContact O-CA 3.19Å; H568-T630 HydrophobicContact CB-CG2 4.32Å; H568-T630 PolarHBondContact ND1-OG1 3.06Å; A622-T630 CarbonylContact C-O 3.59Å; A622-T630 VanDerWaalsContact CA-O 3.31Å; A622-T630 WeakPolarHBondContact CA-O 3.11Å; C623-T630 PolarHBondContact N-O 2.84Å; C623-T630 PolarHBondContact O-N 3.48Å; T630-L662 HydrophobicContact CG2-CD1 3.73Å; T630-L662 HydrophobicContact CG2-CD2 4.38Å; T630-V667 HydrophobicContact CG2-CG1 4.04Å; T630-L669 HydrophobicContact CG2-CD2 4.15Å
631Y87.8Confident77.3Confident0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-119.9137-176-57.9-91.3000110F157 F566 V567 I595 V598 H599 F602 Y621 A622 E629F157-Y631 AromaticContact CE1-CE2 3.73Å; F157-Y631 HydrophobicContact CE1-CE2 3.73Å; F157-Y631 HydrophobicContact CZ-CD2 4.01Å; F157-Y631 AromaticContact CZ-CE2 3.52Å; F157-Y631 HydrophobicContact CZ-CE2 3.52Å; F566-Y631 CarbonylContact C-O 3.56Å; F566-Y631 WeakPolarHBondContact CA-O 3.47Å; F566-Y631 WeakPolarHBondContact CB-O 3.31Å; V567-Y631 HydrophobicContact CB-CD2 4.45Å; V567-Y631 PolarHBondContact N-O 3.41Å; V567-Y631 PolarHBondContact O-N 3.46Å; I595-Y631 HydrophobicContact CB-CD1 4.22Å; I595-Y631 HydrophobicContact CB-CE1 4.41Å; I595-Y631 HydrophobicContact CB-CG 4.5Å; I595-Y631 HydrophobicContact CG1-CD1 3.77Å; I595-Y631 HydrophobicContact CG1-CE1 4.45Å; I595-Y631 HydrophobicContact CG1-CG 3.81Å; I595-Y631 HydrophobicContact CG2-CD1 4.12Å; I595-Y631 HydrophobicContact CG2-CD2 4.16Å; I595-Y631 HydrophobicContact CG2-CE1 4.05Å; I595-Y631 HydrophobicContact CG2-CE2 4.11Å; I595-Y631 HydrophobicContact CG2-CG 4.17Å; V598-Y631 HydrophobicContact CB-CE1 3.95Å; V598-Y631 HydrophobicContact CG1-CE1 3.85Å; H599-Y631 WeakPolarHBondContact CA-OH 3.29Å; H599-Y631 WeakPolarHBondContact CB-OH 3.43Å; H599-Y631 PolarHBondContact N-OH 2.88Å; F602-Y631 WeakPolarHBondContact CD2-OH 3.22Å; F602-Y631 HydrophobicContact CE2-CE1 4.08Å; F602-Y631 AromaticContact CE2-CZ 3.98Å; Y621-Y631 CarbonylContact O-C 3.55Å; Y621-Y631 WeakPolarHBondContact O-CA 3.5Å; A622-Y631 HydrophobicContact CB-CD1 3.59Å; A622-Y631 HydrophobicContact CB-CE1 3.79Å; E629-Y631 HydrophobicContact CB-CE2 3.69Å; E629-Y631 PolarHBondContact OE2-OH 3.18Å
632F86.9Confident75.9Confident1 Ų153.7 Ų53.70%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-143.4128.7-174.7178.4-91.4000111.8Y564 F566 V620 Y621 Q634 L654 K657 A658 K661 L662Y564-F632 HydrophobicContact CD2-CD2 4.27Å; Y564-F632 AromaticContact CD2-CE2 3.6Å; Y564-F632 HydrophobicContact CD2-CE2 3.6Å; Y564-F632 HydrophobicContact CD2-CZ 4.49Å; Y564-F632 HydrophobicContact CG-CE2 4.01Å; Y564-F632 HydrophobicContact CG-CZ 4.49Å; F566-F632 HydrophobicContact CB-CD2 4.39Å; V620-F632 WeakPolarHBondContact CA-O 3.31Å; Y621-F632 PolarHBondContact N-O 2.91Å; Y621-F632 PolarHBondContact O-N 2.86Å; F632-Q634 HydrophobicContact CE1-CB 4.42Å; F632-L654 HydrophobicContact CD1-CD2 4.35Å; F632-L654 HydrophobicContact CE1-CD2 4.13Å; F632-K657 HydrophobicContact CE1-CB 4.28Å; F632-K657 HydrophobicContact CZ-CB 4.46Å; F632-A658 HydrophobicContact CB-CB 3.89Å; F632-A658 HydrophobicContact CD1-CB 3.71Å; F632-A658 HydrophobicContact CD2-CB 4.08Å; F632-A658 HydrophobicContact CE1-CB 4.24Å; F632-A658 HydrophobicContact CG-CB 3.62Å; F632-K661 HydrophobicContact CE2-CB 4Å; F632-K661 HydrophobicContact CE2-CD 4.05Å; F632-K661 HydrophobicContact CE2-CG 4.44Å; F632-K661 HydrophobicContact CZ-CB 4.46Å; F632-K661 HydrophobicContact CZ-CD 3.99Å; F632-K661 HydrophobicContact CZ-CG 4.45Å; F632-L662 HydrophobicContact CD2-CD1 4.39Å; F632-L662 HydrophobicContact CD2-CG 4.33Å
633Q85.8Confident74.8Confident2 Ų256.3 Ų56.31%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-125.4134.8175.2-176.6-177.977.500109.8Y564 S565 F591 V620Y564-Q633 CarbonylContact C-O 3.55Å; Y564-Q633 WeakPolarHBondContact CA-O 3.47Å; Y564-Q633 WeakPolarHBondContact CB-O 3.39Å; S565-Q633 PolarHBondContact N-O 3.33Å; S565-Q633 PolarHBondContact O-N 3.42Å; F591-Q633 HydrophobicContact CD2-CB 3.75Å; F591-Q633 HydrophobicContact CD2-CG 4.49Å; F591-Q633 HydrophobicContact CE2-CB 3.69Å; F591-Q633 HydrophobicContact CG-CB 4.29Å; F591-Q633 HydrophobicContact CZ-CB 4.17Å; V620-Q633 HydrophobicContact CG2-CB 4.28Å; V620-Q633 HydrophobicContact CG2-CG 4.3Å
634Q82.8Confident73.9Confident43 Ų4365.3 Ų65.320%0.20137%0.371CS..  trans-91.8113.1172.6-178.2174.8-0.700110.4F632 T636 L654 K657F632-Q634 HydrophobicContact CE1-CB 4.42Å; Q634-T636 WeakPolarHBondContact CG-OG1 3.49Å; Q634-T636 PolarHBondContact NE2-OG1 2.58Å; Q634-T636 PolarHBondContact O-N 2.95Å; Q634-T636 VanDerWaalsContact O-N 3.1Å; Q634-L654 HydrophobicContact CB-CD2 3.91Å; Q634-K657 VanDerWaalsContact OE1-CD 3.24Å
635L75.4Confident73.1Confident48 Ų4868 Ų6825%0.25139%0.388SS..  trans-76.916.7179.6-70.3175.1000114.5S562 S565S562-L635 VanDerWaalsContact O-CD1 3.27Å; S562-L635 WeakPolarHBondContact O-CD1 3.42Å; S565-L635 WeakPolarHBondContact OG-CD1 3.49Å
636T64.1Low72.6Confident62 Ų6269.2 Ų69.238%0.3840%0.395SS..SBendtrans-81.1133.3178-49.50000109.2Q634 T638Q634-T636 WeakPolarHBondContact CG-OG1 3.49Å; Q634-T636 PolarHBondContact NE2-OG1 2.58Å; Q634-T636 PolarHBondContact O-N 2.95Å; Q634-T636 VanDerWaalsContact O-N 3.1Å; T636-T638 PolarHBondContact O-N 3.47Å
637P56.7Low72.1Confident129 Ų12970.1 Ų70.184%0.83840%0.401SS*.  trans-65.198.9-175.825.7-35.2000111.5
638T54.3Low71.4Confident51 Ų5177.5 Ų77.531%0.31343%0.431SS..  trans-75.9140.7171.7450000110.6S617 T636 R640 C650S617-T638 PolarHBondContact O-OG1 2.66Å; T636-T638 PolarHBondContact O-N 3.47Å; T638-R640 PolarHBondContact O-N 2.89Å; T638-C650 HydrophobicContact CG2-CB 3.81Å
639T55.6Low70.9Confident128 Ų12875.2 Ų75.279%0.78542%0.421SS*.  trans-54.7124.9169.931.50000110.1S641T639-S641 PolarHBondContact O-N 3.38Å; T639-S641 PolarHBondContact O-OG 3.07Å; T639-S641 VanDerWaalsContact O-OG 3.1Å
640R55.9Low70.1Confident227 Ų22776 Ų7686%0.85743%0.426SS*.  trans-57.1109.5179.5-73.9-174.8-179.5179.51.1109.4T638T638-R640 PolarHBondContact O-N 2.89Å
641S57.4Low69.6Low40 Ų4076.2 Ų76.228%0.2843%0.429SS..  trans-119.271.7-174.635.20000108.8R614 T639 G643R614-S641 PolarHBondContact NH2-O 3.2Å; R614-S641 PolarHBondContact NH2-OG 3.25Å; T639-S641 PolarHBondContact O-N 3.38Å; T639-S641 PolarHBondContact O-OG 3.07Å; T639-S641 VanDerWaalsContact O-OG 3.1Å; S641-G643 PolarHBondContact O-N 3.17Å
642S57.3Low69.2Low110 Ų11082.9 Ų82.977%0.76946%0.458SS*.  trans-72.294.6171.1520000109.6
643G66.8Low68.9Low56 Ų5684.9 Ų84.958%0.57747%0.472SS*.SBendtrans162.5-171.8-177.700000111.9S641S641-G643 PolarHBondContact O-N 3.17Å
644F70.2Confident68.7Low204 Ų20484.8 Ų84.890%0.89547%0.472SS*.SBendtrans-56.1140.8175.7-67.2-81.8000111.7N646F644-N646 PolarHBondContact O-N 2.78Å
645P69.7Low68.7Low71 Ų7184.4 Ų84.446%0.46148%0.476SS..PPolyproline II helixtrans-65.2127.9178.928.8-35000109.9D649 F652P645-D649 HydrophobicContact CB-CB 4.5Å; P645-D649 VanDerWaalsContact CB-OD2 3.25Å; P645-D649 WeakPolarHBondContact CB-OD2 3.38Å; P645-F652 HydrophobicContact CB-CE2 4Å; P645-F652 HydrophobicContact CB-CZ 4.08Å; P645-F652 HydrophobicContact CG-CZ 4.32Å
646N73.5Confident69Low78 Ų7884.2 Ų84.242%0.41749%0.486SS..PPolyproline II helixtrans-92.2163178.370.111000110.8F644 Q648 D649 F652F644-N646 PolarHBondContact O-N 2.78Å; N646-Q648 PolarHBondContact O-N 2.88Å; N646-Q648 PolarHBondContact OD1-N 3.35Å; N646-D649 WeakPolarHBondContact O-CB 3.34Å; N646-D649 PolarHBondContact O-N 3.36Å; N646-D649 PolarHBondContact OD1-N 2.96Å; N646-F652 WeakPolarHBondContact O-CE2 3.21Å
647P70.2Confident69.9Low133 Ų13384.5 Ų84.586%0.86448%0.482SS*.THydrogen-bonded Turntrans-63.3-4.1179.5-24.935.8000115.5
648Q67.5Low71.1Confident179 Ų17978.4 Ų78.484%0.83644%0.442SS*.THydrogen-bonded Turntrans-104.93.6176.7-62.6179.8-6.400112.4N646N646-Q648 PolarHBondContact O-N 2.88Å; N646-Q648 PolarHBondContact OD1-N 3.35Å
649D75.1Confident72.5Confident9 Ų979.5 Ų79.55%0.04844%0.442CS..  trans-59.8140.4-178.9-168.4-23.4000110.9R614 P645 N646 A651 F652R614-D649 WeakPolarHBondContact CD-OD2 3.41Å; R614-D649 IonicContact CZ-OD1 2.79Å; R614-D649 IonicContact CZ-OD2 2.72Å; R614-D649 IonicContact NE-OD2 3.38Å; R614-D649 PolarHBondContact NE-OD2 2.94Å; R614-D649 IonicContact NH1-OD1 3.77Å; R614-D649 PolarHBondContact NH1-OD1 2.87Å; R614-D649 IonicContact NH1-OD2 3.71Å; R614-D649 PolarHBondContact NH1-OD2 3.43Å; R614-D649 IonicContact NH2-OD2 2.66Å; P645-D649 HydrophobicContact CB-CB 4.5Å; P645-D649 VanDerWaalsContact CB-OD2 3.25Å; P645-D649 WeakPolarHBondContact CB-OD2 3.38Å; N646-D649 WeakPolarHBondContact O-CB 3.34Å; N646-D649 PolarHBondContact O-N 3.36Å; N646-D649 PolarHBondContact OD1-N 2.96Å; D649-A651 PolarHBondContact O-N 3.45Å; D649-A651 WeakPolarHBondContact OD1-CB 3.36Å; D649-A651 PolarHBondContact OD1-N 2.93Å; D649-F652 HydrophobicContact CB-CD2 3.84Å; D649-F652 HydrophobicContact CB-CE2 4Å
650C70.9Confident73.7Confident17 Ų1783.2 Ų83.212%0.11544%0.442CS..Hα-helixtrans-58.2-33.9175.766.70000111.3T638 F652 S653 L654T638-C650 HydrophobicContact CG2-CB 3.81Å; C650-F652 PolarHBondContact O-N 2.93Å; C650-S653 CarbonylContact O-C 3.6Å; C650-S653 WeakPolarHBondContact O-CA 3.48Å; C650-S653 PolarHBondContact O-N 3.43Å; C650-S653 PolarHBondContact O-OG 3.04Å; C650-L654 WeakPolarHBondContact O-CG 3.41Å; C650-L654 PolarHBondContact O-N 2.95Å; C650-L654 VanDerWaalsContact O-N 3.14Å
651A78.3Confident74.9Confident12 Ų1274.6 Ų74.610%0.09941%0.411CS..Hα-helixtrans-50.2-54.3-177.900000112.9T612 A619 D649 S653 L654T612-A651 HydrophobicContact CG2-CB 4.03Å; A619-A651 HydrophobicContact CB-CB 4.08Å; D649-A651 PolarHBondContact O-N 3.45Å; D649-A651 WeakPolarHBondContact OD1-CB 3.36Å; D649-A651 PolarHBondContact OD1-N 2.93Å; A651-S653 PolarHBondContact O-N 2.92Å; A651-S653 VanDerWaalsContact O-N 3.1Å; A651-L654 WeakPolarHBondContact O-CB 3.38Å; A651-L654 PolarHBondContact O-N 3.27Å
652F79.7Confident75.9Confident140 Ų14072.7 Ų72.761%0.61440%0.397SS*.Hα-helixtrans-62.7-21.2-179.8-58.6-63.1000113.7P645 N646 D649 C650P645-F652 HydrophobicContact CB-CE2 4Å; P645-F652 HydrophobicContact CB-CZ 4.08Å; P645-F652 HydrophobicContact CG-CZ 4.32Å; N646-F652 WeakPolarHBondContact O-CE2 3.21Å; D649-F652 HydrophobicContact CB-CD2 3.84Å; D649-F652 HydrophobicContact CB-CE2 4Å; C650-F652 PolarHBondContact O-N 2.93Å
653S80.1Confident76.8Confident44 Ų4471.9 Ų71.931%0.30838%0.384SS..Hα-helixtrans-94.4-7.117773.40000114.2C650 A651 K657C650-S653 CarbonylContact O-C 3.6Å; C650-S653 WeakPolarHBondContact O-CA 3.48Å; C650-S653 PolarHBondContact O-N 3.43Å; C650-S653 PolarHBondContact O-OG 3.04Å; A651-S653 PolarHBondContact O-N 2.92Å; A651-S653 VanDerWaalsContact O-N 3.1Å; S653-K657 WeakPolarHBondContact O-CD 3.36Å; S653-K657 VanDerWaalsContact O-CG 3.26Å; S653-K657 WeakPolarHBondContact O-CG 3.19Å; S653-K657 PolarHBondContact O-N 2.82Å; S653-K657 VanDerWaalsContact OG-CE 3.3Å; S653-K657 WeakPolarHBondContact OG-CE 3.43Å; S653-K657 PolarHBondContact OG-NZ 3.5Å
654L82.4Confident77.1Confident0 Ų077.6 Ų77.60%039%0.393CS..Hα-helixtrans-66.9-46.7-172.1-73.5-176.6000112.7T612 A619 Y621 F632 Q634 C650 A651 G656 K657 A658T612-L654 HydrophobicContact CG2-CD1 4.48Å; A619-L654 HydrophobicContact CB-CD1 3.73Å; A619-L654 WeakPolarHBondContact O-CD1 3.35Å; Y621-L654 HydrophobicContact CG-CB 4.44Å; F632-L654 HydrophobicContact CD1-CD2 4.35Å; F632-L654 HydrophobicContact CE1-CD2 4.13Å; Q634-L654 HydrophobicContact CB-CD2 3.91Å; C650-L654 WeakPolarHBondContact O-CG 3.41Å; C650-L654 PolarHBondContact O-N 2.95Å; C650-L654 VanDerWaalsContact O-N 3.14Å; A651-L654 WeakPolarHBondContact O-CB 3.38Å; A651-L654 PolarHBondContact O-N 3.27Å; L654-G656 PolarHBondContact O-N 3.27Å; L654-K657 CarbonylContact O-C 3.55Å; L654-K657 WeakPolarHBondContact O-CA 3.33Å; L654-K657 WeakPolarHBondContact O-CB 3.46Å; L654-K657 PolarHBondContact O-N 2.68Å; L654-A658 WeakPolarHBondContact O-CB 3.27Å; L654-A658 PolarHBondContact O-N 2.79Å
655A82.6Confident76.9Confident35 Ų3570.9 Ų70.929%0.28936%0.364SS..Hα-helixtrans-54.2-50.9-177.900000112.2Y621 K657 A658 K659Y621-A655 HydrophobicContact CD2-CB 3.82Å; Y621-A655 HydrophobicContact CE2-CB 3.43Å; Y621-A655 VanDerWaalsContact CE2-CB 3.43Å; A655-K657 VanDerWaalsContact C-N 3.3Å; A655-K657 PolarHBondContact O-N 3.17Å; A655-A658 WeakPolarHBondContact O-CB 3.42Å; A655-A658 PolarHBondContact O-N 3.17Å; A655-K659 PolarHBondContact O-N 3.29Å
656G81.5Confident76.8Confident44 Ų4470.7 Ų70.745%0.45438%0.375SS..Hα-helixtrans-66.5-26.2177.500000114.3L654 R660L654-G656 PolarHBondContact O-N 3.27Å; G656-R660 VanDerWaalsContact O-CG 3.27Å; G656-R660 WeakPolarHBondContact O-CG 3.44Å; G656-R660 PolarHBondContact O-N 3.09Å
657K82.8Confident76.8Confident68 Ų6867.7 Ų67.730%0.29636%0.36SS..Hα-helixtrans-78.7-39.6172.3-72.9168177.3169.60112.1F632 Q634 S653 L654 A655 R660 K661F632-K657 HydrophobicContact CE1-CB 4.28Å; F632-K657 HydrophobicContact CZ-CB 4.46Å; Q634-K657 VanDerWaalsContact OE1-CD 3.24Å; S653-K657 WeakPolarHBondContact O-CD 3.36Å; S653-K657 VanDerWaalsContact O-CG 3.26Å; S653-K657 WeakPolarHBondContact O-CG 3.19Å; S653-K657 PolarHBondContact O-N 2.82Å; S653-K657 VanDerWaalsContact OG-CE 3.3Å; S653-K657 WeakPolarHBondContact OG-CE 3.43Å; S653-K657 PolarHBondContact OG-NZ 3.5Å; L654-K657 CarbonylContact O-C 3.55Å; L654-K657 WeakPolarHBondContact O-CA 3.33Å; L654-K657 WeakPolarHBondContact O-CB 3.46Å; L654-K657 PolarHBondContact O-N 2.68Å; A655-K657 VanDerWaalsContact C-N 3.3Å; A655-K657 PolarHBondContact O-N 3.17Å; K657-R660 PolarHBondContact O-N 3.44Å; K657-K661 WeakPolarHBondContact O-CB 3.39Å; K657-K661 WeakPolarHBondContact O-CG 3.35Å; K657-K661 PolarHBondContact O-N 3.08Å
658A82Confident77Confident0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-58.6-56.4176.400000109Y621 F632 L654 A655 R660 K661 L662 L669Y621-A658 HydrophobicContact CD1-CB 3.9Å; Y621-A658 HydrophobicContact CE1-CB 4.26Å; F632-A658 HydrophobicContact CB-CB 3.89Å; F632-A658 HydrophobicContact CD1-CB 3.71Å; F632-A658 HydrophobicContact CD2-CB 4.08Å; F632-A658 HydrophobicContact CE1-CB 4.24Å; F632-A658 HydrophobicContact CG-CB 3.62Å; L654-A658 WeakPolarHBondContact O-CB 3.27Å; L654-A658 PolarHBondContact O-N 2.79Å; A655-A658 WeakPolarHBondContact O-CB 3.42Å; A655-A658 PolarHBondContact O-N 3.17Å; A658-R660 VanDerWaalsContact C-N 3.31Å; A658-R660 PolarHBondContact O-N 3.15Å; A658-K661 PolarHBondContact O-N 3.07Å; A658-L662 HydrophobicContact CB-CD1 3.93Å; A658-L662 VanDerWaalsContact O-CB 3.25Å; A658-L662 WeakPolarHBondContact O-CB 3.48Å; A658-L662 VanDerWaalsContact O-CG 3.29Å; A658-L662 WeakPolarHBondContact O-CG 3.3Å; A658-L662 PolarHBondContact O-N 3.41Å; A658-L669 HydrophobicContact CB-CD1 4.04Å
659K82.7Confident77.2Confident74 Ų7458.2 Ų58.232%0.32231%0.308SS..Hα-helixtrans-51.5-45.5176.7-167.4160.3-177.9157.90112.7A655 L663 L669 L670A655-K659 PolarHBondContact O-N 3.29Å; K659-L663 WeakPolarHBondContact O-CB 3.49Å; K659-L663 WeakPolarHBondContact O-CD1 3.43Å; K659-L663 VanDerWaalsContact O-CG 3.23Å; K659-L663 WeakPolarHBondContact O-CG 3.04Å; K659-L663 PolarHBondContact O-N 3.24Å; K659-L669 HydrophobicContact CB-CB 4.48Å; K659-L669 WeakPolarHBondContact CD-O 3.45Å; K659-L669 WeakPolarHBondContact CE-O 3.46Å; K659-L669 HydrophobicContact CG-CB 4.37Å; K659-L669 PolarHBondContact NZ-O 3.19Å; K659-L669 VanDerWaalsContact NZ-O 3.08Å; K659-L670 PolarHBondContact NZ-O 2.72Å; K659-L670 PolarHBondContact NZ-OXT 2.69Å
660R81.2Confident76.3Confident206 Ų20666.9 Ų66.978%0.77735%0.353SS*.Hα-helixtrans-70.6-29177.7-70.4177.6-169.2-175.54.9115.3G656 K657 A658G656-R660 VanDerWaalsContact O-CG 3.27Å; G656-R660 WeakPolarHBondContact O-CG 3.44Å; G656-R660 PolarHBondContact O-N 3.09Å; K657-R660 PolarHBondContact O-N 3.44Å; A658-R660 VanDerWaalsContact C-N 3.31Å; A658-R660 PolarHBondContact O-N 3.15Å
661K80.2Confident76.6Confident47 Ų4769.4 Ų69.420%0.20437%0.365CS..Hα-helixtrans-89.5-38.3179.1-71.8-156.6-171.8-176.20112.5T563 Y564 F632 K657 A658 K664T563-K661 PolarHBondContact O-NZ 2.95Å; T563-K661 VanDerWaalsContact O-NZ 3.1Å; T563-K661 PolarHBondContact OG1-NZ 3.04Å; Y564-K661 HydrophobicContact CD1-CD 3.5Å; Y564-K661 VanDerWaalsContact CD1-CD 3.5Å; Y564-K661 HydrophobicContact CD2-CB 4.42Å; Y564-K661 HydrophobicContact CD2-CD 3.88Å; Y564-K661 HydrophobicContact CE1-CD 3.73Å; Y564-K661 HydrophobicContact CE2-CB 4.15Å; Y564-K661 HydrophobicContact CE2-CD 4.07Å; Y564-K661 HydrophobicContact CG-CD 3.58Å; F632-K661 HydrophobicContact CE2-CB 4Å; F632-K661 HydrophobicContact CE2-CD 4.05Å; F632-K661 HydrophobicContact CE2-CG 4.44Å; F632-K661 HydrophobicContact CZ-CB 4.46Å; F632-K661 HydrophobicContact CZ-CD 3.99Å; F632-K661 HydrophobicContact CZ-CG 4.45Å; K657-K661 WeakPolarHBondContact O-CB 3.39Å; K657-K661 WeakPolarHBondContact O-CG 3.35Å; K657-K661 PolarHBondContact O-N 3.08Å; A658-K661 PolarHBondContact O-N 3.07Å; K661-K664 WeakPolarHBondContact O-CB 3.42Å; K661-K664 PolarHBondContact O-N 3.12Å
662L79.3Confident76.5Confident0 Ų072.4 Ų72.40%038%0.379CS..Hα-helixtrans-73.2-30.8-176.1-69.2167.5000112.7F566 T630 F632 A658 K664 H665 G666 V667 L669F566-L662 HydrophobicContact CB-CD2 3.77Å; F566-L662 HydrophobicContact CD1-CD2 4.22Å; F566-L662 HydrophobicContact CD2-CD2 3.71Å; F566-L662 HydrophobicContact CE2-CD2 4.34Å; F566-L662 HydrophobicContact CG-CD2 3.65Å; T630-L662 HydrophobicContact CG2-CD1 3.73Å; T630-L662 HydrophobicContact CG2-CD2 4.38Å; F632-L662 HydrophobicContact CD2-CD1 4.39Å; F632-L662 HydrophobicContact CD2-CG 4.33Å; A658-L662 HydrophobicContact CB-CD1 3.93Å; A658-L662 VanDerWaalsContact O-CB 3.25Å; A658-L662 WeakPolarHBondContact O-CB 3.48Å; A658-L662 VanDerWaalsContact O-CG 3.29Å; A658-L662 WeakPolarHBondContact O-CG 3.3Å; A658-L662 PolarHBondContact O-N 3.41Å; L662-K664 PolarHBondContact O-N 3.12Å; L662-H665 CarbonylContact O-C 3.56Å; L662-H665 WeakPolarHBondContact O-CA 3.4Å; L662-H665 PolarHBondContact O-N 3.07Å; L662-G666 PolarHBondContact O-N 3.27Å; L662-V667 CarbonylContact C-O 3.57Å; L662-V667 HydrophobicContact CB-CB 4.14Å; L662-V667 HydrophobicContact CB-CG1 4.3Å; L662-V667 WeakPolarHBondContact CB-O 3.36Å; L662-V667 PolarHBondContact O-N 3.16Å; L662-L669 HydrophobicContact CD1-CD1 3.68Å; L662-L669 HydrophobicContact CD1-CD2 4.36Å; L662-L669 HydrophobicContact CD1-CG 4.06Å
663L77.1Confident76.3Confident92 Ų9268.7 Ų68.748%0.48237%0.366SS..G310 helixtrans-55.1-23.4168.5-81.1170.3000113.5K659 H665 G666 V667 N668K659-L663 WeakPolarHBondContact O-CB 3.49Å; K659-L663 WeakPolarHBondContact O-CD1 3.43Å; K659-L663 VanDerWaalsContact O-CG 3.23Å; K659-L663 WeakPolarHBondContact O-CG 3.04Å; K659-L663 PolarHBondContact O-N 3.24Å; L663-H665 VanDerWaalsContact C-N 3.28Å; L663-H665 PolarHBondContact O-N 3.47Å; L663-G666 PolarHBondContact O-N 3.04Å; L663-V667 PolarHBondContact N-O 3.41Å; L663-N668 HydrophobicContact CD2-CB 4Å
664K71.7Confident76.1Confident177 Ų17770.1 Ų70.177%0.7737%0.369SS*.G310 helixtrans-75.3-15.4174.1-58.9-166.6171.9-160.90114K661 L662K661-K664 WeakPolarHBondContact O-CB 3.42Å; K661-K664 PolarHBondContact O-N 3.12Å; L662-K664 PolarHBondContact O-N 3.12Å
665H67.1Low75.7Confident62 Ų6274.5 Ų74.529%0.28739%0.392SS..G310 helixtrans-107.616.3176.5-61-79.4000111.7Y564 F566 L662 L663 V667Y564-H665 AromaticContact CE2-NE2 3.8Å; Y564-H665 AromaticContact CZ-NE2 3.74Å; Y564-H665 PolarHBondContact OH-NE2 3.27Å; F566-H665 AromaticContact CE1-CD2 3.65Å; F566-H665 AromaticContact CE1-CE1 3.77Å; F566-H665 AromaticContact CE1-CG 3.8Å; F566-H665 AromaticContact CE1-ND1 3.89Å; F566-H665 AromaticContact CE1-NE2 3.62Å; F566-H665 HydrophobicContact CZ-CB 4.08Å; F566-H665 AromaticContact CZ-CG 3.74Å; F566-H665 AromaticContact CZ-ND1 3.92Å; L662-H665 CarbonylContact O-C 3.56Å; L662-H665 WeakPolarHBondContact O-CA 3.4Å; L662-H665 PolarHBondContact O-N 3.07Å; L663-H665 VanDerWaalsContact C-N 3.28Å; L663-H665 PolarHBondContact O-N 3.47Å; H665-V667 PolarHBondContact O-N 2.86Å; H665-V667 VanDerWaalsContact O-N 3.12Å
666G66.9Low75.2Confident68 Ų6877.1 Ų77.170%0.70140%0.399SS*.THydrogen-bonded Turntrans74.6-11.7-175.400000115.4L662 L663 N668L662-G666 PolarHBondContact O-N 3.27Å; L663-G666 PolarHBondContact O-N 3.04Å; G666-N668 PolarHBondContact O-N 3.33Å; G666-N668 VanDerWaalsContact O-N 3.15Å
667V73.9Confident74.8Confident15 Ų1579.5 Ų79.59%0.09140%0.395CS..  trans-77.1102-178.9178.10000110.1H568 T630 L662 L663 H665 L669H568-V667 HydrophobicContact CB-CG2 4.21Å; T630-V667 HydrophobicContact CG2-CG1 4.04Å; L662-V667 CarbonylContact C-O 3.57Å; L662-V667 HydrophobicContact CB-CB 4.14Å; L662-V667 HydrophobicContact CB-CG1 4.3Å; L662-V667 WeakPolarHBondContact CB-O 3.36Å; L662-V667 PolarHBondContact O-N 3.16Å; L663-V667 PolarHBondContact N-O 3.41Å; H665-V667 PolarHBondContact O-N 2.86Å; H665-V667 VanDerWaalsContact O-N 3.12Å; V667-L669 HydrophobicContact CG1-CD2 4.14Å
668N74Confident74.1Confident98 Ų9880.4 Ų80.452%0.52440%0.403SS..  trans-90.1114.5177.4-172.623.3000111L663 G666L663-N668 HydrophobicContact CD2-CB 4Å; G666-N668 PolarHBondContact O-N 3.33Å; G666-N668 VanDerWaalsContact O-N 3.15Å
669L71.6Confident73.5Confident15 Ų1587.1 Ų87.18%0.07944%0.436CS..  trans-86.8125.1169.5-55.8-170.6000108.9Y621 T630 A658 K659 L662 V667Y621-L669 HydrophobicContact CE1-CD1 3.93Å; T630-L669 HydrophobicContact CG2-CD2 4.15Å; A658-L669 HydrophobicContact CB-CD1 4.04Å; K659-L669 HydrophobicContact CB-CB 4.48Å; K659-L669 WeakPolarHBondContact CD-O 3.45Å; K659-L669 WeakPolarHBondContact CE-O 3.46Å; K659-L669 HydrophobicContact CG-CB 4.37Å; K659-L669 PolarHBondContact NZ-O 3.19Å; K659-L669 VanDerWaalsContact NZ-O 3.08Å; L662-L669 HydrophobicContact CD1-CD1 3.68Å; L662-L669 HydrophobicContact CD1-CD2 4.36Å; L662-L669 HydrophobicContact CD1-CG 4.06Å; V667-L669 HydrophobicContact CG1-CD2 4.14Å
670L56.3Low72.7Confident191 Ų19188.3 Ų88.3100%145%0.447SS*.  trans-53.10-175-71.1170.7000113.5K659K659-L670 PolarHBondContact NZ-O 2.72Å; K659-L670 PolarHBondContact NZ-OXT 2.69Å

Retrieved 670 of 670 residues in 135.5 ms (Link to these results)

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