A0A077Z433_TRITR Loading...

glutamine--fructose-6-phosphate transaminase (isomerizing)

AlphaFold DB , UniProt , Accession A0A077Z433, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 742 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
1M28.5Very low73.6Confident123 Ų12315.6 Ų15.661%0.6068%0.081SC*.  081.50-158-175.2-7600108.5T117 V741 E742M1-T117 HydrophobicContact CG-CG2 4.05Å; M1-T117 WeakPolarHBondContact O-CG2 3.4Å; M1-V741 WeakPolarHBondContact O-CG2 3.2Å; M1-E742 CarbonylContact C-O 3.53Å; M1-E742 WeakPolarHBondContact CA-O 3.32Å; M1-E742 PolarHBondContact N-O 3.02Å; M1-E742 PolarHBondContact N-OXT 3.07Å
2T29.6Very low75.3Confident23 Ų2314.3 Ų14.314%0.1417%0.074CC..  trans-73.9132-160.4-420000115.8F4 V739T2-F4 HydrophobicContact CG2-CD1 3.53Å; T2-F4 HydrophobicContact CG2-CD2 3.69Å; T2-F4 HydrophobicContact CG2-CE1 3.32Å; T2-F4 HydrophobicContact CG2-CE2 3.49Å; T2-F4 VanDerWaalsContact CG2-CE2 3.49Å; T2-F4 HydrophobicContact CG2-CG 3.75Å; T2-F4 HydrophobicContact CG2-CZ 3.3Å; T2-F4 WeakPolarHBondContact O-CD2 3.07Å; T2-F4 PolarHBondContact O-N 3.38Å; T2-F4 VanDerWaalsContact O-N 3.11Å; T2-V739 HydrophobicContact CG2-CB 3.86Å; T2-V739 HydrophobicContact CG2-CG1 3.72Å; T2-V739 HydrophobicContact CG2-CG2 4Å
3V44.1Very low76.6Confident9 Ų917 Ų176%0.0558%0.083CC..  trans-92.179.2177-175.80000109.9S5 T117 N165 G166 I167 T740 V741V3-S5 PolarHBondContact O-N 2.91Å; V3-T117 HydrophobicContact CG2-CG2 3.6Å; V3-N165 HydrophobicContact CG1-CB 4.36Å; V3-G166 VanDerWaalsContact CG1-N 3.31Å; V3-G166 VanDerWaalsContact CG2-O 3.26Å; V3-G166 WeakPolarHBondContact CG2-O 3.47Å; V3-I167 HydrophobicContact CG2-CD1 4.43Å; V3-I167 HydrophobicContact CG2-CG1 3.86Å; V3-T740 PolarHBondContact O-OG1 3.26Å; V3-V741 HydrophobicContact CB-CG1 3.94Å; V3-V741 HydrophobicContact CB-CG2 4.05Å; V3-V741 HydrophobicContact CG2-CB 4.41Å; V3-V741 HydrophobicContact CG2-CG1 3.95Å; V3-V741 HydrophobicContact CG2-CG2 3.54Å; V3-V741 VanDerWaalsContact N-CG2 3.34Å
4F62.4Low77.6Confident13 Ų1321.4 Ų21.46%0.05711%0.106CC..  trans-68.419.8171.3-70-55.5000113.7T2 R36 G37 W115 A736 S738 V739T2-F4 HydrophobicContact CG2-CD1 3.53Å; T2-F4 HydrophobicContact CG2-CD2 3.69Å; T2-F4 HydrophobicContact CG2-CE1 3.32Å; T2-F4 HydrophobicContact CG2-CE2 3.49Å; T2-F4 VanDerWaalsContact CG2-CE2 3.49Å; T2-F4 HydrophobicContact CG2-CG 3.75Å; T2-F4 HydrophobicContact CG2-CZ 3.3Å; T2-F4 WeakPolarHBondContact O-CD2 3.07Å; T2-F4 PolarHBondContact O-N 3.38Å; T2-F4 VanDerWaalsContact O-N 3.11Å; F4-R36 CarbonylContact C-O 3.53Å; F4-R36 WeakPolarHBondContact CA-O 3.31Å; F4-R36 WeakPolarHBondContact CB-O 3.41Å; F4-R36 CarbonylContact O-C 3.46Å; F4-G37 WeakPolarHBondContact O-CA 3.31Å; F4-G37 PolarHBondContact O-N 3.12Å; F4-W115 HydrophobicContact CB-CB 3.64Å; F4-W115 HydrophobicContact CB-CD2 4.03Å; F4-W115 HydrophobicContact CB-CE3 4.31Å; F4-W115 HydrophobicContact CB-CG 3.73Å; F4-W115 AromaticContact CD2-CD1 3.78Å; F4-W115 AromaticContact CD2-CD2 3.66Å; F4-W115 HydrophobicContact CD2-CD2 3.66Å; F4-W115 AromaticContact CD2-CE2 3.59Å; F4-W115 HydrophobicContact CD2-CE3 4.24Å; F4-W115 AromaticContact CD2-CG 3.8Å; F4-W115 HydrophobicContact CD2-CG 3.8Å; F4-W115 HydrophobicContact CD2-CZ2 4.12Å; F4-W115 AromaticContact CD2-NE1 3.66Å; F4-W115 HydrophobicContact CE2-CZ2 4.24Å; F4-W115 HydrophobicContact CG-CD2 4.33Å; F4-W115 HydrophobicContact CG-CG 4.29Å; F4-A736 HydrophobicContact CB-CB 3.65Å; F4-A736 HydrophobicContact CD1-CB 3.11Å; F4-A736 HydrophobicContact CD2-CB 3.68Å; F4-A736 HydrophobicContact CE1-CB 3.44Å; F4-A736 VanDerWaalsContact CE1-CB 3.44Å; F4-A736 WeakPolarHBondContact CE1-O 3.38Å; F4-A736 HydrophobicContact CE2-CB 3.96Å; F4-A736 HydrophobicContact CG-CB 3.22Å; F4-A736 HydrophobicContact CZ-CB 3.85Å; F4-S738 WeakPolarHBondContact CD1-O 3.43Å; F4-S738 WeakPolarHBondContact CE1-O 3.38Å; F4-V739 HydrophobicContact CE1-CG2 4.31Å; F4-V739 HydrophobicContact CZ-CG2 4.13Å
5S77.5Confident78.4Confident4 Ų420.8 Ų20.83%0.02811%0.105CC..  trans-87158.3-170.2-64.40000113V3 T113 R114 W115 N165V3-S5 PolarHBondContact O-N 2.91Å; S5-T113 CarbonylContact C-O 3.47Å; S5-T113 WeakPolarHBondContact CA-O 3.34Å; S5-T113 WeakPolarHBondContact CB-O 3.4Å; S5-T113 PolarHBondContact OG-O 3.2Å; S5-R114 WeakPolarHBondContact OG-CA 3.44Å; S5-W115 PolarHBondContact OG-N 3.19Å; S5-N165 WeakPolarHBondContact CB-OD1 3.42Å; S5-N165 PolarHBondContact O-ND2 2.86Å
6G88.2Confident79.3Confident0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-123.1126.4179.200000112H112 T113 S317G6-H112 WeakPolarHBondContact O-CA 3.48Å; G6-H112 PolarHBondContact O-CD2 3.5Å; G6-H112 VanDerWaalsContact O-CD2 3.31Å; G6-T113 WeakPolarHBondContact CA-OG1 3.43Å; G6-T113 PolarHBondContact N-O 3.24Å; G6-T113 PolarHBondContact N-OG1 3.04Å; G6-T113 PolarHBondContact O-N 3.35Å; G6-T113 PolarHBondContact O-OG1 2.97Å; G6-S317 WeakPolarHBondContact CA-OG 3.4Å
7I93.2Very high80.1Confident0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-100.2134.6173.3-73.2167000108.9L33 V163 N165 A226 V228 L247 A316 S317I7-L33 WeakPolarHBondContact O-CD1 3.3Å; I7-V163 HydrophobicContact CD1-CG2 4.42Å; I7-V163 HydrophobicContact CG1-CB 4.34Å; I7-V163 HydrophobicContact CG1-CG2 4.03Å; I7-V163 HydrophobicContact CG2-CG2 3.9Å; I7-N165 HydrophobicContact CD1-CB 3.88Å; I7-N165 HydrophobicContact CG1-CB 4.45Å; I7-A226 HydrophobicContact CD1-CB 4.21Å; I7-A226 WeakPolarHBondContact CD1-O 3.45Å; I7-V228 HydrophobicContact CG2-CB 4.47Å; I7-V228 HydrophobicContact CG2-CG2 3.68Å; I7-L247 HydrophobicContact CG2-CD1 4.31Å; I7-A316 VanDerWaalsContact O-CA 3.28Å; I7-A316 WeakPolarHBondContact O-CA 3.4Å; I7-S317 PolarHBondContact N-OG 3.39Å; I7-S317 PolarHBondContact O-N 3.37Å
8F95.9Very high80.9Confident0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-139.6135.3165.5-174.6-106.4000109.9I25 L26 L30 L33 A111 F314 F315 A316 A321F8-I25 HydrophobicContact CE1-CG2 3.85Å; F8-I25 VanDerWaalsContact CE1-O 3.32Å; F8-I25 WeakPolarHBondContact CE1-O 3.36Å; F8-I25 HydrophobicContact CZ-CG2 4.02Å; F8-L26 HydrophobicContact CD1-CD2 3.87Å; F8-L26 HydrophobicContact CE1-CD2 4.08Å; F8-L30 HydrophobicContact CB-CD2 4.41Å; F8-L33 HydrophobicContact CB-CD1 4.02Å; F8-A111 PolarHBondContact N-O 3.49Å; F8-A111 WeakPolarHBondContact O-CA 3.22Å; F8-A111 WeakPolarHBondContact O-CB 3.42Å; F8-A111 PolarHBondContact O-N 2.95Å; F8-A111 VanDerWaalsContact O-O 3.07Å; F8-F314 HydrophobicContact CE2-CD1 4.42Å; F8-F314 HydrophobicContact CZ-CD1 4.01Å; F8-F315 CarbonylContact C-O 3.59Å; F8-F315 VanDerWaalsContact CA-O 3.28Å; F8-F315 WeakPolarHBondContact CA-O 3.43Å; F8-A316 HydrophobicContact CD2-CB 4.14Å; F8-A321 HydrophobicContact CD2-CB 3.7Å; F8-A321 HydrophobicContact CE2-CB 4.02Å; F8-A321 VanDerWaalsContact CE2-O 3.29Å; F8-A321 WeakPolarHBondContact CE2-O 3.41Å
9A97.1Very high81.5Confident0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-139.8145.4172.400000110.7G109 I110 V228 L238 F314 F315A9-G109 CarbonylContact C-O 3.57Å; A9-G109 WeakPolarHBondContact CA-O 3.37Å; A9-G109 WeakPolarHBondContact CB-O 3.43Å; A9-I110 HydrophobicContact CB-CB 4.27Å; A9-I110 HydrophobicContact CB-CG2 3.82Å; A9-V228 HydrophobicContact CB-CG1 3.91Å; A9-L238 HydrophobicContact CB-CD1 4.28Å; A9-F314 CarbonylContact O-C 3.52Å; A9-F314 VanDerWaalsContact O-CA 3.32Å; A9-F314 WeakPolarHBondContact O-CA 3.48Å; A9-F315 HydrophobicContact CB-CB 4.13Å; A9-F315 HydrophobicContact CB-CD2 4.45Å; A9-F315 PolarHBondContact N-O 3.1Å; A9-F315 PolarHBondContact O-N 3.1Å
10Y97.1Very high82Confident0 Ų026.7 Ų26.70%014%0.135CC..EExtended strand (participates in β ladder)trans-126.8130.8-179.6173.5-121.2000109.9N12 R17 V22 I25 G109 E312 Y313 F314Y10-N12 HydrophobicContact CE1-CB 4.1Å; Y10-R17 PolarHBondContact OH-NE 3.11Å; Y10-V22 HydrophobicContact CD1-CG1 4.06Å; Y10-V22 HydrophobicContact CD1-CG2 4.32Å; Y10-V22 HydrophobicContact CE1-CG2 4.04Å; Y10-I25 HydrophobicContact CD1-CB 4.48Å; Y10-I25 HydrophobicContact CD1-CD1 4.2Å; Y10-I25 HydrophobicContact CD1-CG2 4.1Å; Y10-I25 HydrophobicContact CD2-CG2 4.12Å; Y10-I25 HydrophobicContact CE1-CD1 3.67Å; Y10-I25 HydrophobicContact CE2-CD1 4.22Å; Y10-I25 HydrophobicContact CG-CG2 3.81Å; Y10-G109 PolarHBondContact N-O 2.61Å; Y10-G109 PolarHBondContact O-N 2.85Å; Y10-E312 HydrophobicContact CE2-CB 4.12Å; Y10-E312 HydrophobicContact CE2-CG 4.09Å; Y10-E312 PolarHBondContact OH-OE1 3.38Å; Y10-Y313 WeakPolarHBondContact CA-O 3.47Å; Y10-F314 AromaticContact CD2-CD1 3.75Å; Y10-F314 HydrophobicContact CD2-CD1 3.75Å; Y10-F314 AromaticContact CD2-CE1 3.33Å; Y10-F314 HydrophobicContact CD2-CE1 3.33Å; Y10-F314 AromaticContact CD2-CZ 3.82Å; Y10-F314 HydrophobicContact CD2-CZ 3.82Å; Y10-F314 HydrophobicContact CE2-CD1 4.39Å; Y10-F314 AromaticContact CE2-CE1 3.55Å; Y10-F314 HydrophobicContact CE2-CE1 3.55Å; Y10-F314 HydrophobicContact CE2-CE2 4.48Å; Y10-F314 AromaticContact CE2-CZ 3.6Å; Y10-F314 HydrophobicContact CE2-CZ 3.6Å; Y10-F314 HydrophobicContact CG-CE1 4.39Å
11L95.6Very high82.6Confident0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-127.2118.3171.9-173162.2000108.5H107 C108 G236 L238 E312 Y313 I340L11-H107 WeakPolarHBondContact CA-O 3.39Å; L11-C108 WeakPolarHBondContact CD1-SG 3.46Å; L11-G236 WeakPolarHBondContact CD1-O 3.46Å; L11-L238 HydrophobicContact CB-CD1 3.9Å; L11-L238 HydrophobicContact CD1-CB 4.27Å; L11-L238 HydrophobicContact CD1-CD1 3.99Å; L11-L238 HydrophobicContact CD1-CG 3.96Å; L11-E312 CarbonylContact O-C 3.56Å; L11-E312 VanDerWaalsContact O-CA 3.27Å; L11-E312 WeakPolarHBondContact O-CA 3.47Å; L11-Y313 HydrophobicContact CD2-CD2 4.08Å; L11-Y313 PolarHBondContact N-O 2.95Å; L11-Y313 PolarHBondContact O-N 3.4Å; L11-I340 HydrophobicContact CD1-CB 4.08Å; L11-I340 HydrophobicContact CD1-CD1 3.91Å; L11-I340 HydrophobicContact CD1-CG2 3.77Å; L11-I340 HydrophobicContact CD2-CG2 4.38Å
12N94.1Very high85.7Confident0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-97.6128.5164.457.7-57.7000108.6Y10 C15 R17 F104 T106 H107 E312Y10-N12 HydrophobicContact CE1-CB 4.1Å; N12-C15 HydrophobicContact CB-CB 4.28Å; N12-C15 PolarHBondContact ND2-O 3.09Å; N12-R17 HydrophobicContact CB-CG 4.19Å; N12-F104 PolarHBondContact ND2-O 2.91Å; N12-F104 VanDerWaalsContact ND2-O 3.11Å; N12-T106 WeakPolarHBondContact O-CA 3.4Å; N12-H107 PolarHBondContact N-O 3.44Å; N12-H107 PolarHBondContact O-N 3.07Å; N12-H107 VanDerWaalsContact O-N 3.08Å; N12-H107 VanDerWaalsContact OD1-CB 3.3Å; N12-H107 WeakPolarHBondContact OD1-CB 3.48Å; N12-H107 PolarHBondContact OD1-N 3.21Å; N12-H107 PolarHBondContact OD1-O 2.89Å; N12-H107 VanDerWaalsContact OD1-O 3.06Å; N12-E312 HydrophobicContact CB-CG 4.28Å
13Y92.3Very high88.7Confident49 Ų4921.8 Ų21.819%0.19211%0.109CC..EExtended strand (participates in β ladder)trans-121.2119.4178.1-176.4-98.9000109.6C15 T106 A311 D342 G343Y13-C15 PolarHBondContact O-N 3.09Å; Y13-T106 HydrophobicContact CD2-CG2 3.85Å; Y13-A311 PolarHBondContact N-O 3.06Å; Y13-A311 PolarHBondContact O-N 3.49Å; Y13-A311 VanDerWaalsContact O-N 3.07Å; Y13-D342 PolarHBondContact OH-O 3.23Å; Y13-G343 VanDerWaalsContact CG-CA 3.44Å
14L90.6Very high91Very high78 Ų7823.4 Ų23.441%0.40812%0.117SC..SBendtrans52.917.9-173.1-59.1177.1000114.1P16 K105 T106 E310L14-P16 WeakPolarHBondContact O-CD 3.1Å; L14-K105 CarbonylContact C-O 3.41Å; L14-K105 WeakPolarHBondContact CA-O 3.25Å; L14-K105 PolarHBondContact N-O 2.95Å; L14-T106 PolarHBondContact N-OG1 2.68Å; L14-E310 WeakPolarHBondContact O-CG 3.25Å
15C89.9Confident92.6Very high13 Ų1323.7 Ų23.79%0.08812%0.119CC..  trans-113.498.2177.1-175.60000106.8N12 Y13 R17 K105 E310 E312N12-C15 HydrophobicContact CB-CB 4.28Å; N12-C15 PolarHBondContact ND2-O 3.09Å; Y13-C15 PolarHBondContact O-N 3.09Å; C15-R17 PolarHBondContact O-N 3.16Å; C15-K105 PolarHBondContact N-O 3.47Å; C15-K105 VanDerWaalsContact N-O 3.1Å; C15-E310 HydrophobicContact CB-CB 4.36Å; C15-E312 HydrophobicContact CB-CG 4.31Å
16P92Very high93.3Very high51 Ų5123.5 Ų23.533%0.33112%0.118SC..  trans-57.6129.1-176-22.732.8000111.7L14 E103 F104 K105L14-P16 WeakPolarHBondContact O-CD 3.1Å; P16-E103 HydrophobicContact CB-CG 3.89Å; P16-F104 WeakPolarHBondContact CA-O 3.22Å; P16-K105 HydrophobicContact CG-CG 4.47Å
17R93.4Very high93.5Very high53 Ų5323.6 Ų23.620%0.212%0.118CC..EExtended strand (participates in β ladder)trans-137.5142.2175.8-69-65.8-175.6-164.3-12.3110.5Y10 N12 C15 E21 V22 E103 F104 R252 E312Y10-R17 PolarHBondContact OH-NE 3.11Å; N12-R17 HydrophobicContact CB-CG 4.19Å; C15-R17 PolarHBondContact O-N 3.16Å; R17-E21 VanDerWaalsContact CA-OE2 3.23Å; R17-E21 WeakPolarHBondContact CA-OE2 3.47Å; R17-E21 HydrophobicContact CB-CB 4.47Å; R17-E21 WeakPolarHBondContact CD-OE2 3.28Å; R17-E21 IonicContact NH1-OE1 3.42Å; R17-E21 PolarHBondContact NH1-OE1 3.21Å; R17-V22 HydrophobicContact CB-CG2 4.01Å; R17-E103 CarbonylContact O-C 3.5Å; R17-E103 WeakPolarHBondContact O-CA 3.47Å; R17-F104 PolarHBondContact N-O 3.38Å; R17-F104 PolarHBondContact O-N 2.87Å; R17-R252 VanDerWaalsContact NH2-NH2 3.12Å; R17-E312 IonicContact CZ-OE1 3.03Å; R17-E312 IonicContact NE-OE1 2.95Å; R17-E312 IonicContact NH2-OE1 3.63Å; R17-E312 PolarHBondContact NH2-OE1 3.42Å
18T94.2Very high93.5Very high35 Ų3528.6 Ų28.622%0.21514%0.14CC..EExtended strand (participates in β ladder)trans-72.5155.3168.571.50000110.1E20 E21 V22 R102T18-E20 PolarHBondContact O-N 3.19Å; T18-E21 PolarHBondContact N-OE2 3.35Å; T18-E21 PolarHBondContact O-N 3.1Å; T18-E21 VanDerWaalsContact O-N 3.13Å; T18-E21 WeakPolarHBondContact OG1-CG 3.32Å; T18-E21 PolarHBondContact OG1-N 3.18Å; T18-E21 VanDerWaalsContact OG1-N 3.11Å; T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 2.84Å; T18-R102 CarbonylContact C-O 3.57Å; T18-R102 WeakPolarHBondContact CA-O 3.4Å
19R92Very high93.3Very high1 Ų128.6 Ų28.60%0.00414%0.14CC..Hα-helixtrans-57.7-37172.5-178.5177.6-72.3146.3-9.3111.1V22 V23 I63 D64 D66 H99 L100 R102 F104R19-V22 PolarHBondContact O-N 2.86Å; R19-V23 HydrophobicContact CG-CG2 4.24Å; R19-V23 WeakPolarHBondContact O-CB 3.37Å; R19-V23 VanDerWaalsContact O-CG2 3.28Å; R19-V23 WeakPolarHBondContact O-CG2 3.43Å; R19-V23 PolarHBondContact O-N 3.43Å; R19-I63 HydrophobicContact CG-CD1 4.12Å; R19-D64 PolarHBondContact NH2-O 3.28Å; R19-D66 IonicContact CZ-OD1 2.71Å; R19-D66 IonicContact CZ-OD2 3.19Å; R19-D66 VanDerWaalsContact NH1-CG 3.28Å; R19-D66 IonicContact NH1-OD1 2.77Å; R19-D66 PolarHBondContact NH1-OD1 2.89Å; R19-D66 VanDerWaalsContact NH1-OD1 3.12Å; R19-D66 IonicContact NH1-OD2 3.48Å; R19-D66 PolarHBondContact NH1-OD2 3.07Å; R19-D66 VanDerWaalsContact NH2-CG 3.28Å; R19-D66 IonicContact NH2-OD1 3.27Å; R19-D66 PolarHBondContact NH2-OD1 3.06Å; R19-D66 IonicContact NH2-OD2 2.75Å; R19-D66 PolarHBondContact NH2-OD2 3.43Å; R19-H99 PolarHBondContact NH1-O 2.88Å; R19-L100 WeakPolarHBondContact CB-O 3.49Å; R19-L100 HydrophobicContact CG-CD2 4.39Å; R19-L100 PolarHBondContact N-O 2.78Å; R19-R102 PolarHBondContact N-O 3.4Å; R19-F104 HydrophobicContact CB-CE2 4.19Å
20E93Very high92.9Very high81 Ų8128.6 Ų28.638%0.37914%0.14SC..Hα-helixtrans-57.8-46.9173.6-172175.7-157.800112.5T18 V22 V23 N24 Y93 L100T18-E20 PolarHBondContact O-N 3.19Å; E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 PolarHBondContact O-N 3.45Å; E20-V23 PolarHBondContact O-N 3.43Å; E20-N24 WeakPolarHBondContact O-CB 3.48Å; E20-N24 PolarHBondContact O-N 2.91Å; E20-N24 PolarHBondContact O-ND2 2.97Å; E20-N24 VanDerWaalsContact O-ND2 3.13Å; E20-Y93 HydrophobicContact CG-CE1 4.43Å; E20-L100 HydrophobicContact CB-CB 4.21Å; E20-L100 PolarHBondContact N-O 3.11Å
21E94.2Very high92.5Very high69 Ų6932.2 Ų32.232%0.32216%0.157SC..Hα-helixtrans-61.3-44.2176.9-72.8177.6118.700111.5R17 T18 N24 I25R17-E21 VanDerWaalsContact CA-OE2 3.23Å; R17-E21 WeakPolarHBondContact CA-OE2 3.47Å; R17-E21 HydrophobicContact CB-CB 4.47Å; R17-E21 WeakPolarHBondContact CD-OE2 3.28Å; R17-E21 IonicContact NH1-OE1 3.42Å; R17-E21 PolarHBondContact NH1-OE1 3.21Å; T18-E21 PolarHBondContact N-OE2 3.35Å; T18-E21 PolarHBondContact O-N 3.1Å; T18-E21 VanDerWaalsContact O-N 3.13Å; T18-E21 WeakPolarHBondContact OG1-CG 3.32Å; T18-E21 PolarHBondContact OG1-N 3.18Å; T18-E21 VanDerWaalsContact OG1-N 3.11Å; E21-N24 PolarHBondContact O-N 3Å; E21-I25 VanDerWaalsContact O-CG1 3.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.22Å; E21-I25 PolarHBondContact O-N 2.97Å
22V93.2Very high92.1Very high1 Ų134.9 Ų34.91%0.00617%0.167CC..Hα-helixtrans-61.6-48.5177.41750000111.2Y10 R17 T18 R19 E20 N24 I25 L26 H107Y10-V22 HydrophobicContact CD1-CG1 4.06Å; Y10-V22 HydrophobicContact CD1-CG2 4.32Å; Y10-V22 HydrophobicContact CE1-CG2 4.04Å; R17-V22 HydrophobicContact CB-CG2 4.01Å; T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 2.84Å; R19-V22 PolarHBondContact O-N 2.86Å; E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 PolarHBondContact O-N 3.45Å; V22-N24 VanDerWaalsContact C-N 3.3Å; V22-N24 PolarHBondContact O-N 2.97Å; V22-I25 PolarHBondContact O-N 3.08Å; V22-L26 HydrophobicContact CG1-CD1 4.11Å; V22-L26 HydrophobicContact CG1-CG 4.37Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.43Å; V22-H107 VanDerWaalsContact CG1-CE1 3.42Å; V22-H107 WeakPolarHBondContact CG1-CE1 3.44Å
23V92.2Very high91.8Very high0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-58.2-45.6178.21650000110.3R19 E20 I25 L26 I27 I61 I63 I92R19-V23 HydrophobicContact CG-CG2 4.24Å; R19-V23 WeakPolarHBondContact O-CB 3.37Å; R19-V23 VanDerWaalsContact O-CG2 3.28Å; R19-V23 WeakPolarHBondContact O-CG2 3.43Å; R19-V23 PolarHBondContact O-N 3.43Å; E20-V23 PolarHBondContact O-N 3.43Å; V23-I25 VanDerWaalsContact C-N 3.34Å; V23-I25 PolarHBondContact O-N 3.49Å; V23-L26 PolarHBondContact O-N 2.96Å; V23-I27 HydrophobicContact CG1-CG1 4.2Å; V23-I27 WeakPolarHBondContact O-CB 3.18Å; V23-I27 WeakPolarHBondContact O-CG1 3.26Å; V23-I27 PolarHBondContact O-N 2.76Å; V23-I61 HydrophobicContact CG2-CD1 4.17Å; V23-I63 HydrophobicContact CG2-CD1 4.18Å; V23-I92 HydrophobicContact CG1-CD1 4.11Å; V23-I92 HydrophobicContact CG1-CG2 3.78Å; V23-I92 HydrophobicContact CG2-CG2 4.36Å
24N93.7Very high91.3Very high43 Ų4333.5 Ų33.523%0.2316%0.162CC..Hα-helixtrans-59.4-43.1177.5-86.3-44.2000112.7E20 E21 V22 K28 Y93E20-N24 WeakPolarHBondContact O-CB 3.48Å; E20-N24 PolarHBondContact O-N 2.91Å; E20-N24 PolarHBondContact O-ND2 2.97Å; E20-N24 VanDerWaalsContact O-ND2 3.13Å; E21-N24 PolarHBondContact O-N 3Å; V22-N24 VanDerWaalsContact C-N 3.3Å; V22-N24 PolarHBondContact O-N 2.97Å; N24-K28 WeakPolarHBondContact O-CB 3.31Å; N24-K28 VanDerWaalsContact O-CG 3.28Å; N24-K28 WeakPolarHBondContact O-CG 3.39Å; N24-K28 PolarHBondContact O-N 2.81Å; N24-Y93 PolarHBondContact ND2-OH 2.96Å; N24-Y93 PolarHBondContact OD1-OH 3.36Å
25I94.8Very high90.4Very high20 Ų2031 Ų3110%0.10315%0.148CC..Hα-helixtrans-61.7-47.1175.9-71.2166.4000110.3F8 Y10 E21 V22 V23 G29 F314F8-I25 HydrophobicContact CE1-CG2 3.85Å; F8-I25 VanDerWaalsContact CE1-O 3.32Å; F8-I25 WeakPolarHBondContact CE1-O 3.36Å; F8-I25 HydrophobicContact CZ-CG2 4.02Å; Y10-I25 HydrophobicContact CD1-CB 4.48Å; Y10-I25 HydrophobicContact CD1-CD1 4.2Å; Y10-I25 HydrophobicContact CD1-CG2 4.1Å; Y10-I25 HydrophobicContact CD2-CG2 4.12Å; Y10-I25 HydrophobicContact CE1-CD1 3.67Å; Y10-I25 HydrophobicContact CE2-CD1 4.22Å; Y10-I25 HydrophobicContact CG-CG2 3.81Å; E21-I25 VanDerWaalsContact O-CG1 3.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.22Å; E21-I25 PolarHBondContact O-N 2.97Å; V22-I25 PolarHBondContact O-N 3.08Å; V23-I25 VanDerWaalsContact C-N 3.34Å; V23-I25 PolarHBondContact O-N 3.49Å; I25-G29 PolarHBondContact O-N 3.45Å; I25-F314 HydrophobicContact CG2-CE1 4.2Å
26L93.6Very high89.4Confident0 Ų032.6 Ų32.60%015%0.152CC..Hα-helixtrans-62.8-45.6178.9-65.5176000112.4F8 V22 V23 G29 L30 I61 I63 A111F8-L26 HydrophobicContact CD1-CD2 3.87Å; F8-L26 HydrophobicContact CE1-CD2 4.08Å; V22-L26 HydrophobicContact CG1-CD1 4.11Å; V22-L26 HydrophobicContact CG1-CG 4.37Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 2.96Å; L26-G29 PolarHBondContact O-N 2.95Å; L26-L30 WeakPolarHBondContact O-CG 3Å; L26-L30 PolarHBondContact O-N 3.27Å; L26-I61 HydrophobicContact CB-CG2 4.17Å; L26-I61 HydrophobicContact CD1-CB 4.21Å; L26-I61 HydrophobicContact CD1-CG2 4.18Å; L26-I63 HydrophobicContact CD1-CG2 3.7Å; L26-A111 HydrophobicContact CB-CB 4.17Å; L26-A111 HydrophobicContact CD2-CB 4.06Å
27I91.8Very high87.9Confident2 Ų230.2 Ų30.21%0.0114%0.137CC..Hα-helixtrans-64.5-45.5180-70.3-64.7000111.1V23 G29 L30 Q31 V85 L88 E89 I92V23-I27 HydrophobicContact CG1-CG1 4.2Å; V23-I27 WeakPolarHBondContact O-CB 3.18Å; V23-I27 WeakPolarHBondContact O-CG1 3.26Å; V23-I27 PolarHBondContact O-N 2.76Å; I27-G29 VanDerWaalsContact C-N 3.35Å; I27-G29 PolarHBondContact O-N 2.68Å; I27-L30 PolarHBondContact O-N 3.37Å; I27-Q31 HydrophobicContact CG2-CG 4.44Å; I27-Q31 WeakPolarHBondContact O-CG 3.23Å; I27-Q31 PolarHBondContact O-N 3.1Å; I27-V85 HydrophobicContact CD1-CG1 4.37Å; I27-V85 HydrophobicContact CG2-CG1 4.08Å; I27-L88 HydrophobicContact CD1-CD2 3.88Å; I27-L88 HydrophobicContact CD1-CG 4.07Å; I27-E89 HydrophobicContact CD1-CB 4.34Å; I27-E89 HydrophobicContact CG2-CB 4.01Å; I27-E89 HydrophobicContact CG2-CG 4.04Å; I27-I92 HydrophobicContact CD1-CD1 3.83Å; I27-I92 HydrophobicContact CG1-CD1 4.22Å
28K92Very high86Confident104 Ų10428.2 Ų28.245%0.45213%0.129SC..Hα-helixtrans-60.2-45175.1-74.6176.5-179.2175.20111.4N24 L30 Q31 R32N24-K28 WeakPolarHBondContact O-CB 3.31Å; N24-K28 VanDerWaalsContact O-CG 3.28Å; N24-K28 WeakPolarHBondContact O-CG 3.39Å; N24-K28 PolarHBondContact O-N 2.81Å; K28-L30 VanDerWaalsContact C-N 3.32Å; K28-L30 PolarHBondContact O-N 3.05Å; K28-Q31 WeakPolarHBondContact O-CB 3.44Å; K28-Q31 PolarHBondContact O-N 3.2Å; K28-Q31 VanDerWaalsContact O-N 3.07Å; K28-R32 WeakPolarHBondContact O-CG 3.44Å; K28-R32 PolarHBondContact O-N 3.02Å
29G91.6Very high83.9Confident0 Ų027.3 Ų27.30%012%0.123CC..Hα-helixtrans-53.9-46.3173.100000112.4I25 L26 I27 R32 L33I25-G29 PolarHBondContact O-N 3.45Å; L26-G29 PolarHBondContact O-N 2.95Å; I27-G29 VanDerWaalsContact C-N 3.35Å; I27-G29 PolarHBondContact O-N 2.68Å; G29-R32 PolarHBondContact O-N 3.44Å; G29-L33 WeakPolarHBondContact O-CG 3.44Å; G29-L33 PolarHBondContact O-N 3.27Å
30L89.9Confident81.2Confident0 Ų028.5 Ų28.50%013%0.131CC..Hα-helixtrans-65.7-37.9175.1-66.5-172.3000113.4F8 L26 I27 K28 R32 L33 E34 L59 I61 V85 L88 A111 T113F8-L30 HydrophobicContact CB-CD2 4.41Å; L26-L30 WeakPolarHBondContact O-CG 3Å; L26-L30 PolarHBondContact O-N 3.27Å; I27-L30 PolarHBondContact O-N 3.37Å; K28-L30 VanDerWaalsContact C-N 3.32Å; K28-L30 PolarHBondContact O-N 3.05Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 3.17Å; L30-L33 CarbonylContact O-C 3.48Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-E34 PolarHBondContact O-N 3.17Å; L30-L59 HydrophobicContact CD1-CD2 4.05Å; L30-I61 HydrophobicContact CD1-CG2 4.48Å; L30-V85 HydrophobicContact CB-CG1 3.91Å; L30-V85 HydrophobicContact CB-CG2 4.03Å; L30-L88 HydrophobicContact CD1-CD2 4.1Å; L30-A111 HydrophobicContact CD1-CB 4Å; L30-A111 HydrophobicContact CD2-CB 3.78Å; L30-A111 HydrophobicContact CG-CB 3.87Å; L30-T113 HydrophobicContact CB-CG2 4.28Å; L30-T113 HydrophobicContact CD2-CG2 4.13Å
31Q88.6Confident78Confident76 Ų7627.2 Ų27.236%0.35514%0.135SC..Hα-helixtrans-60.4-37.7175.2-70.5172.2-5.400111.3I27 K28 L33 E34 V85 E89I27-Q31 HydrophobicContact CG2-CG 4.44Å; I27-Q31 WeakPolarHBondContact O-CG 3.23Å; I27-Q31 PolarHBondContact O-N 3.1Å; K28-Q31 WeakPolarHBondContact O-CB 3.44Å; K28-Q31 PolarHBondContact O-N 3.2Å; K28-Q31 VanDerWaalsContact O-N 3.07Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 2.9Å; Q31-E34 PolarHBondContact O-N 3.4Å; Q31-V85 HydrophobicContact CG-CB 4.13Å; Q31-V85 HydrophobicContact CG-CG1 3.68Å; Q31-E89 PolarHBondContact NE2-OE2 2.84Å
32R87.4Confident74.8Confident57 Ų5727 Ų2722%0.21515%0.151CC..Hα-helixtrans-67-28.4174-59.5-54.2-179.1-179.71.1113.1K28 G29 L30 Y35 A321 E324 M377K28-R32 WeakPolarHBondContact O-CG 3.44Å; K28-R32 PolarHBondContact O-N 3.02Å; G29-R32 PolarHBondContact O-N 3.44Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 3.17Å; R32-Y35 WeakPolarHBondContact O-CD1 3.23Å; R32-Y35 VanDerWaalsContact O-CE1 3.22Å; R32-Y35 WeakPolarHBondContact O-CE1 3.29Å; R32-A321 HydrophobicContact CB-CB 4.17Å; R32-E324 IonicContact CZ-OE2 3.91Å; R32-E324 IonicContact NE-OE2 2.77Å; R32-E324 PolarHBondContact NE-OE2 3.26Å; R32-E324 IonicContact NH2-OE2 3.9Å; R32-E324 PolarHBondContact NH2-OE2 3.29Å; R32-M377 PolarHBondContact NH1-SD 3.18Å
33L86.7Confident71.6Confident0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-93.3-6.5179.4-60.1176.6000113.8I7 F8 G29 L30 Q31 Y35 R36 D318 A321I7-L33 WeakPolarHBondContact O-CD1 3.3Å; F8-L33 HydrophobicContact CB-CD1 4.02Å; G29-L33 WeakPolarHBondContact O-CG 3.44Å; G29-L33 PolarHBondContact O-N 3.27Å; L30-L33 CarbonylContact O-C 3.48Å; L30-L33 PolarHBondContact O-N 3.32Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 2.9Å; L33-Y35 PolarHBondContact O-N 3.21Å; L33-R36 WeakPolarHBondContact O-CB 3.43Å; L33-R36 PolarHBondContact O-N 3.22Å; L33-D318 HydrophobicContact CD2-CB 3.48Å; L33-D318 VanDerWaalsContact CD2-CB 3.48Å; L33-A321 HydrophobicContact CD1-CB 4.18Å; L33-A321 HydrophobicContact CD2-CB 3.93Å; L33-A321 HydrophobicContact CG-CB 3.9Å
34E81.9Confident68.3Low20 Ų2045.8 Ų45.89%0.09323%0.233CC..THydrogen-bonded Turntrans-64.4-18.1-172.8-159.6179.2-158.700113.2L30 Q31 R36 Y38 K84 V85 R731L30-E34 PolarHBondContact O-N 3.17Å; Q31-E34 PolarHBondContact O-N 3.4Å; E34-R36 VanDerWaalsContact C-N 3.33Å; E34-Y38 WeakPolarHBondContact O-CD1 3.25Å; E34-K84 WeakPolarHBondContact OE1-CB 3.26Å; E34-V85 HydrophobicContact CB-CG2 4.03Å; E34-V85 HydrophobicContact CG-CG2 3.75Å; E34-V85 PolarHBondContact OE1-N 3.18Å; E34-R731 VanDerWaalsContact CD-CZ 3.47Å; E34-R731 IonicContact OE1-NH1 3.72Å; E34-R731 PolarHBondContact OE1-NH1 3.05Å; E34-R731 IonicContact OE2-CZ 3.74Å; E34-R731 IonicContact OE2-NH1 2.63Å; E34-R731 PolarHBondContact OE2-NH1 2.83Å; E34-R731 IonicContact OE2-NH2 2.7Å; E34-R731 PolarHBondContact OE2-NH2 3.32Å
35Y73Confident65.1Low26 Ų2649.2 Ų49.210%0.10226%0.259CS..THydrogen-bonded Turntrans-75.1-24.1172.579.8-85.4000112.8R32 L33 D318 I530 K737R32-Y35 WeakPolarHBondContact O-CD1 3.23Å; R32-Y35 VanDerWaalsContact O-CE1 3.22Å; R32-Y35 WeakPolarHBondContact O-CE1 3.29Å; L33-Y35 PolarHBondContact O-N 3.21Å; Y35-D318 PolarHBondContact OH-OD2 2.54Å; Y35-I530 HydrophobicContact CD1-CD1 4.32Å; Y35-I530 HydrophobicContact CD1-CG2 4.12Å; Y35-I530 HydrophobicContact CD2-CG2 4.44Å; Y35-I530 HydrophobicContact CE1-CD1 4.13Å; Y35-I530 HydrophobicContact CG-CG2 3.86Å; Y35-K737 HydrophobicContact CD2-CB 3.94Å; Y35-K737 HydrophobicContact CD2-CG 4.15Å; Y35-K737 HydrophobicContact CE2-CB 4.19Å; Y35-K737 HydrophobicContact CE2-CG 4.1Å
36R68.6Low61.7Low46 Ų4660.3 Ų60.317%0.17430%0.3CS..THydrogen-bonded Turntrans-71-41.3175.1-72.9-165.9164.7-155.10.1110.3F4 L33 E34 S317 D318 A736F4-R36 CarbonylContact C-O 3.53Å; F4-R36 WeakPolarHBondContact CA-O 3.31Å; F4-R36 WeakPolarHBondContact CB-O 3.41Å; F4-R36 CarbonylContact O-C 3.46Å; L33-R36 WeakPolarHBondContact O-CB 3.43Å; L33-R36 PolarHBondContact O-N 3.22Å; E34-R36 VanDerWaalsContact C-N 3.33Å; R36-S317 PolarHBondContact NH1-O 3.15Å; R36-S317 PolarHBondContact NH2-O 3.11Å; R36-D318 IonicContact CZ-OD2 3.42Å; R36-D318 IonicContact NE-OD2 2.86Å; R36-D318 PolarHBondContact NE-OD2 2.87Å; R36-D318 IonicContact NH2-OD2 3.51Å; R36-D318 PolarHBondContact NH2-OD2 3.26Å; R36-A736 WeakPolarHBondContact O-CB 3.23Å
37G59.6Low58.6Low1 Ų164.9 Ų64.91%0.0134%0.337CS..  trans-153.6123.8-175.300000114.6F4F4-G37 WeakPolarHBondContact O-CA 3.31Å; F4-G37 PolarHBondContact O-N 3.12Å
38Y54Low55.4Low11 Ų1174.4 Ų74.44%0.04338%0.379CS..  trans-150103.7173.556.1-80000107.8E34 S40 W115 V532 R731 P732 L735E34-Y38 WeakPolarHBondContact O-CD1 3.25Å; Y38-S40 PolarHBondContact O-N 3.34Å; Y38-W115 WeakPolarHBondContact O-CZ3 3.48Å; Y38-V532 HydrophobicContact CE1-CG2 4.18Å; Y38-R731 HydrophobicContact CD1-CB 4.3Å; Y38-R731 HydrophobicContact CD1-CG 3.87Å; Y38-R731 HydrophobicContact CD2-CB 3.94Å; Y38-R731 HydrophobicContact CD2-CG 4.29Å; Y38-R731 HydrophobicContact CE1-CB 3.72Å; Y38-R731 HydrophobicContact CE1-CG 3.5Å; Y38-R731 VanDerWaalsContact CE1-CG 3.5Å; Y38-R731 HydrophobicContact CE2-CB 3.39Å; Y38-R731 HydrophobicContact CE2-CG 4.05Å; Y38-R731 HydrophobicContact CG-CB 4.42Å; Y38-R731 HydrophobicContact CG-CG 4.28Å; Y38-R731 WeakPolarHBondContact OH-CA 3.37Å; Y38-P732 WeakPolarHBondContact OH-CD 3.38Å; Y38-P732 PolarHBondContact OH-O 3.42Å; Y38-L735 PolarHBondContact OH-O 2.99Å
39D50.9Low52.3Low15 Ų1579.4 Ų79.48%0.0840%0.401CS..  trans-62.5117.4170.6-57.9-43.7000108.5A41 F56 S57 W115 A116 P121D39-A41 PolarHBondContact O-N 3.1Å; D39-F56 VanDerWaalsContact CB-C 3.43Å; D39-F56 WeakPolarHBondContact CB-O 3.37Å; D39-F56 CarbonylContact O-C 3.56Å; D39-F56 VanDerWaalsContact O-C 3.28Å; D39-F56 WeakPolarHBondContact O-CA 3.15Å; D39-S57 VanDerWaalsContact N-CA 3.35Å; D39-S57 PolarHBondContact N-OG 3.39Å; D39-S57 PolarHBondContact O-N 3.44Å; D39-S57 PolarHBondContact O-OG 2.94Å; D39-W115 VanDerWaalsContact OD1-CD2 3.26Å; D39-A116 PolarHBondContact OD1-N 3.31Å; D39-A116 PolarHBondContact OD2-N 3.24Å; D39-P121 WeakPolarHBondContact OD2-CB 3.37Å
40S34.6Very low49.1Very low26 Ų2684.7 Ų84.718%0.18244%0.438CS..  trans-81.2118.7-158.554.90000113.1Y38 K55 R733 N734Y38-S40 PolarHBondContact O-N 3.34Å; S40-K55 CarbonylContact C-O 3.55Å; S40-K55 VanDerWaalsContact C-O 3.28Å; S40-K55 VanDerWaalsContact O-O 3.08Å; S40-R733 WeakPolarHBondContact OG-CA 3.42Å; S40-N734 PolarHBondContact OG-N 3.01Å
41A26.4Very low46Very low55 Ų5594 Ų9446%0.45548%0.479SS..  trans-80112161.400000110.8D39 F56D39-A41 PolarHBondContact O-N 3.1Å; A41-F56 HydrophobicContact CB-CD1 3.7Å; A41-F56 HydrophobicContact CB-CE1 3.59Å
42G25.3Very low43.1Very low65 Ų65100.8 Ų100.867%0.6751%0.507SS*.  trans-88.7115.3161.100000110.1F44G42-F44 PolarHBondContact O-N 2.76Å
43K26Very low40.3Very low208 Ų208110 Ų11090%0.90454%0.542SS*.  trans-71.2115.7165.4-82.5-175.1174.7-179.80108.4
44F23.4Very low37.6Very low187 Ų187112.5 Ų112.582%0.8256%0.56SS**  trans-97.6124.4164.6-155.2-90.7000108.7G42G42-F44 PolarHBondContact O-N 2.76Å
45C26.8Very low35.6Very low115 Ų115118.9 Ų118.978%0.77759%0.587SS**  trans-78.2121175.7-770000110.8
46R23.2Very low33.9Very low253 Ų253121.3 Ų121.396%0.95560%0.598SS**  trans35.598146.5-109.6178.9171.9156.8-2.8118.5
47A27.8Very low32.8Very low95 Ų95119.5 Ų119.579%0.78559%0.593SS**  -167.9124.5128.500000109.3F49A47-F49 PolarHBondContact O-N 2.81Å
48K25.6Very low32.8Very low203 Ų203120.3 Ų120.388%0.88360%0.596SS**SBendtrans4.194.9167.7-65.5177.1176.51780116.5
49F27.3Very low33.6Very low209 Ų209119.9 Ų119.992%0.91759%0.594SS**  trans-172.4120.1136-113.9-83.7000107.7A47A47-F49 PolarHBondContact O-N 2.81Å
50S23.5Very low34.6Very low110 Ų110119.1 Ų119.177%0.76959%0.59SS**  trans-69.2154.5172.9550000110.4
51F25.8Very low36.9Very low197 Ų197117.9 Ų117.986%0.86458%0.582SS**  trans99.856.8166.8-127.2-90.2000117.7
52F26.8Very low39.4Very low217 Ų217115.3 Ų115.395%0.95256%0.56SS**  trans-145.7104.5152-112.6-88.5000109.8
53R28.8Very low42.2Very low250 Ų250112.2 Ų112.294%0.94353%0.528SS*.PPolyproline II helixtrans-78122.6174.4-100.3177.7145.6156.5-6109.1
54S30.7Very low44.9Very low54 Ų54102.9 Ų102.938%0.37849%0.488SS..PPolyproline II helixtrans-63.9135.7177.343.90000112.5F56S54-F56 WeakPolarHBondContact O-CD2 3.28Å; S54-F56 WeakPolarHBondContact O-CE2 3.15Å; S54-F56 WeakPolarHBondContact OG-CE2 3.35Å; S54-F56 WeakPolarHBondContact OG-CZ 3.24Å
55K38.4Very low47.5Very low153 Ų15394.1 Ų94.167%0.66545%0.45SS*.PPolyproline II helixtrans-75.1116.4170.1-70179.9178.8-176.90108.6S40 P121S40-K55 CarbonylContact C-O 3.55Å; S40-K55 VanDerWaalsContact C-O 3.28Å; S40-K55 VanDerWaalsContact O-O 3.08Å; K55-P121 HydrophobicContact CB-CG 3.94Å; K55-P121 HydrophobicContact CG-CG 4.01Å
56F38.6Very low49.8Very low78 Ų7890.6 Ų90.634%0.34242%0.424SS..  trans-104.6148.8-179.3-69.4-82.8000110D39 A41 S54 F58D39-F56 VanDerWaalsContact CB-C 3.43Å; D39-F56 WeakPolarHBondContact CB-O 3.37Å; D39-F56 CarbonylContact O-C 3.56Å; D39-F56 VanDerWaalsContact O-C 3.28Å; D39-F56 WeakPolarHBondContact O-CA 3.15Å; A41-F56 HydrophobicContact CB-CD1 3.7Å; A41-F56 HydrophobicContact CB-CE1 3.59Å; S54-F56 WeakPolarHBondContact O-CD2 3.28Å; S54-F56 WeakPolarHBondContact O-CE2 3.15Å; S54-F56 WeakPolarHBondContact OG-CE2 3.35Å; S54-F56 WeakPolarHBondContact OG-CZ 3.24Å; F56-F58 HydrophobicContact CB-CE2 4.14Å; F56-F58 HydrophobicContact CB-CZ 4.47Å; F56-F58 WeakPolarHBondContact O-CD2 3.32Å; F56-F58 WeakPolarHBondContact O-CE2 3.38Å
57S45.2Very low52.1Low7 Ų782.5 Ų82.55%0.04940%0.402CS..  trans-60.6158.3170.3110000109D39 S82 G83D39-S57 VanDerWaalsContact N-CA 3.35Å; D39-S57 PolarHBondContact N-OG 3.39Å; D39-S57 PolarHBondContact O-N 3.44Å; D39-S57 PolarHBondContact O-OG 2.94Å; S57-S82 CarbonylContact O-C 3.57Å; S57-S82 WeakPolarHBondContact O-CA 3.45Å; S57-G83 CarbonylContact C-O 3.49Å; S57-G83 WeakPolarHBondContact CB-O 3.38Å; S57-G83 PolarHBondContact O-N 3.1Å; S57-G83 PolarHBondContact OG-O 2.83Å
58F59.2Low54.5Low18 Ų1883.7 Ų83.78%0.07939%0.39CS..EExtended strand (participates in β ladder)trans-128.6137.6171.1-70.3-102000110.6F56 N81 S82 R114 P121 N122 S126F56-F58 HydrophobicContact CB-CE2 4.14Å; F56-F58 HydrophobicContact CB-CZ 4.47Å; F56-F58 WeakPolarHBondContact O-CD2 3.32Å; F56-F58 WeakPolarHBondContact O-CE2 3.38Å; F58-N81 WeakPolarHBondContact CA-O 3.32Å; F58-S82 VanDerWaalsContact CD1-CA 3.46Å; F58-R114 WeakPolarHBondContact O-CB 3.32Å; F58-R114 PolarHBondContact O-N 3.27Å; F58-P121 VanDerWaalsContact CD2-C 3.48Å; F58-P121 HydrophobicContact CD2-CB 3.52Å; F58-P121 HydrophobicContact CE2-CB 3.38Å; F58-P121 HydrophobicContact CE2-CG 4.16Å; F58-P121 WeakPolarHBondContact CE2-O 3.24Å; F58-P121 WeakPolarHBondContact CZ-O 3.37Å; F58-N122 VanDerWaalsContact CD1-C 3.45Å; F58-S126 WeakPolarHBondContact CB-OG 3.5Å; F58-S126 WeakPolarHBondContact CD1-OG 3.16Å
59L71.2Confident56.6Low2 Ų274.6 Ų74.61%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-127.5155.2-175.5-55.5115.8000109L30 K80 N81 G83 K84 V85 L88 H112 T113L30-L59 HydrophobicContact CD1-CD2 4.05Å; L59-K80 CarbonylContact O-C 3.55Å; L59-K80 VanDerWaalsContact O-CA 3.25Å; L59-K80 WeakPolarHBondContact O-CA 3.06Å; L59-N81 PolarHBondContact N-O 2.85Å; L59-N81 PolarHBondContact O-N 2.8Å; L59-G83 WeakPolarHBondContact CD1-O 3.5Å; L59-K84 VanDerWaalsContact CD1-O 3.32Å; L59-K84 WeakPolarHBondContact CD1-O 3.01Å; L59-V85 HydrophobicContact CD2-CB 4.04Å; L59-V85 HydrophobicContact CD2-CG1 4.47Å; L59-V85 HydrophobicContact CD2-CG2 3.34Å; L59-L88 HydrophobicContact CB-CB 4.28Å; L59-L88 HydrophobicContact CB-CD2 3.71Å; L59-H112 VanDerWaalsContact CA-O 3.29Å; L59-H112 WeakPolarHBondContact CA-O 3.34Å; L59-T113 HydrophobicContact CD2-CG2 3.33Å; L59-T113 HydrophobicContact CG-CG2 4.41Å
60G72.8Confident58.6Low0 Ų070.4 Ų70.40%035%0.345CS..EExtended strand (participates in β ladder)trans-162.1159.3168.300000113.7L79 A111 H112 H127G60-L79 CarbonylContact C-O 3.47Å; G60-L79 WeakPolarHBondContact CA-O 3.31Å; G60-A111 WeakPolarHBondContact O-CA 3.32Å; G60-H112 PolarHBondContact N-O 3.29Å; G60-H112 PolarHBondContact O-N 3.05Å; G60-H127 WeakPolarHBondContact CA-O 3.43Å
61I82.1Confident60.8Low0 Ų070.6 Ų70.60%033%0.334CS..EExtended strand (participates in β ladder)trans-124.3147.6171.463.7172000110.5V23 L26 L30 I63 L78 L79 L88 I92 I110 A111V23-I61 HydrophobicContact CG2-CD1 4.17Å; L26-I61 HydrophobicContact CB-CG2 4.17Å; L26-I61 HydrophobicContact CD1-CB 4.21Å; L26-I61 HydrophobicContact CD1-CG2 4.18Å; L30-I61 HydrophobicContact CD1-CG2 4.48Å; I61-I63 HydrophobicContact CD1-CG2 4.21Å; I61-L78 WeakPolarHBondContact O-CA 3.41Å; I61-L79 HydrophobicContact CD1-CD1 4.2Å; I61-L79 HydrophobicContact CG1-CB 3.91Å; I61-L79 HydrophobicContact CG1-CD1 4.36Å; I61-L79 PolarHBondContact N-O 3.21Å; I61-L79 PolarHBondContact O-N 3Å; I61-L88 HydrophobicContact CG2-CD2 4.23Å; I61-I92 HydrophobicContact CD1-CD1 3.56Å; I61-I92 HydrophobicContact CD1-CG1 4.38Å; I61-I92 HydrophobicContact CG1-CD1 4.25Å; I61-I110 CarbonylContact C-O 3.46Å; I61-I110 VanDerWaalsContact CA-O 3.26Å; I61-I110 WeakPolarHBondContact CA-O 3.37Å; I61-A111 HydrophobicContact CG2-CB 3.71Å
62G79.9Confident63.2Low0 Ų063 Ų630%031%0.312CS..EExtended strand (participates in β ladder)trans-122.1115.8170.200000110.2V77 G109 I110G62-V77 WeakPolarHBondContact CA-O 3.34Å; G62-G109 WeakPolarHBondContact O-CA 3.49Å; G62-I110 PolarHBondContact N-O 3.12Å; G62-I110 PolarHBondContact O-N 2.97Å
63I83.9Confident65.8Low1 Ų154.7 Ų54.71%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-129166.1-173.859.9174.5000110.8R19 V23 L26 I61 I76 V77 L79 L98 K230R19-I63 HydrophobicContact CG-CD1 4.12Å; V23-I63 HydrophobicContact CG2-CD1 4.18Å; L26-I63 HydrophobicContact CD1-CG2 3.7Å; I61-I63 HydrophobicContact CD1-CG2 4.21Å; I63-I76 WeakPolarHBondContact O-CA 3.41Å; I63-V77 HydrophobicContact CG1-CB 4.17Å; I63-V77 PolarHBondContact N-O 2.89Å; I63-V77 VanDerWaalsContact N-O 3.09Å; I63-V77 PolarHBondContact O-N 3.29Å; I63-L79 HydrophobicContact CD1-CD1 4.49Å; I63-L98 HydrophobicContact CD1-CD1 4.25Å; I63-L98 HydrophobicContact CD1-CD2 4.33Å; I63-K230 PolarHBondContact O-NZ 3.35Å
64D81.9Confident68.2Low12 Ų1244.4 Ų44.46%0.06424%0.241CC..EExtended strand (participates in β ladder)trans-70.9132.2177.7-63.3-30.5000110.7R19 N74 G75 F104 H107 K230R19-D64 PolarHBondContact NH2-O 3.28Å; D64-N74 HydrophobicContact CB-CB 3.99Å; D64-G75 WeakPolarHBondContact CA-O 3.4Å; D64-F104 HydrophobicContact CB-CD1 4.44Å; D64-F104 HydrophobicContact CB-CE1 3.9Å; D64-F104 HydrophobicContact CB-CZ 4.37Å; D64-H107 PolarHBondContact N-NE2 2.9Å; D64-H107 WeakPolarHBondContact OD2-CA 3.38Å; D64-H107 IonicContact OD2-CD2 2.66Å; D64-H107 PolarHBondContact OD2-CD2 3.41Å; D64-H107 IonicContact OD2-CG 2.7Å; D64-H107 IonicContact OD2-NE2 3.09Å; D64-K230 WeakPolarHBondContact OD1-CE 3.23Å; D64-K230 IonicContact OD1-NZ 3.74Å; D64-K230 PolarHBondContact OD1-NZ 3.04Å
65S79Confident70.7Confident2 Ų242.1 Ų42.11%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-82.5166.4179.275.30000112.5T67 G75S65-T67 VanDerWaalsContact C-N 3.34Å; S65-T67 WeakPolarHBondContact CB-OG1 3.24Å; S65-T67 PolarHBondContact OG-N 3.43Å; S65-T67 PolarHBondContact OG-O 3.2Å; S65-T67 PolarHBondContact OG-OG1 3.07Å; S65-G75 PolarHBondContact N-O 3.36Å; S65-G75 WeakPolarHBondContact OG-CA 3.37Å; S65-G75 PolarHBondContact OG-N 3.2Å; S65-G75 VanDerWaalsContact OG-N 3.11Å; S65-G75 PolarHBondContact OG-O 2.61Å
66D74.7Confident72.9Confident42 Ų4235.4 Ų35.423%0.22520%0.197CC..EExtended strand (participates in β ladder)trans-76.3-28.8170.7-65.2-43.1000113.3R19 H99 R102R19-D66 IonicContact CZ-OD1 2.71Å; R19-D66 IonicContact CZ-OD2 3.19Å; R19-D66 VanDerWaalsContact NH1-CG 3.28Å; R19-D66 IonicContact NH1-OD1 2.77Å; R19-D66 PolarHBondContact NH1-OD1 2.89Å; R19-D66 VanDerWaalsContact NH1-OD1 3.12Å; R19-D66 IonicContact NH1-OD2 3.48Å; R19-D66 PolarHBondContact NH1-OD2 3.07Å; R19-D66 VanDerWaalsContact NH2-CG 3.28Å; R19-D66 IonicContact NH2-OD1 3.27Å; R19-D66 PolarHBondContact NH2-OD1 3.06Å; R19-D66 IonicContact NH2-OD2 2.75Å; R19-D66 PolarHBondContact NH2-OD2 3.43Å; D66-H99 IonicContact OD2-CD2 2.84Å; D66-H99 PolarHBondContact OD2-CD2 2.89Å; D66-H99 VanDerWaalsContact OD2-CD2 3.27Å; D66-H99 IonicContact OD2-CG 3.07Å; D66-R102 PolarHBondContact O-NH1 3.08Å; D66-R102 WeakPolarHBondContact OD1-CD 3.31Å; D66-R102 IonicContact OD1-CZ 2.95Å; D66-R102 IonicContact OD1-NE 3.63Å; D66-R102 PolarHBondContact OD1-NE 3.15Å; D66-R102 IonicContact OD1-NH1 3.99Å; D66-R102 PolarHBondContact OD1-NH1 2.87Å
67T71.7Confident75.1Confident82 Ų8232.2 Ų32.250%0.50318%0.184SC..EExtended strand (participates in β ladder)trans-69.3133.6178.449.10000110.6S65 G75S65-T67 VanDerWaalsContact C-N 3.34Å; S65-T67 WeakPolarHBondContact CB-OG1 3.24Å; S65-T67 PolarHBondContact OG-N 3.43Å; S65-T67 PolarHBondContact OG-O 3.2Å; S65-T67 PolarHBondContact OG-OG1 3.07Å; T67-G75 PolarHBondContact O-N 3.4Å
68K76.9Confident77Confident121 Ų12132.3 Ų32.353%0.52618%0.184SC..EExtended strand (participates in β ladder)trans-84.6141.6172.3-64.2-56.4-155.8155.60109.9G72 N73 N74K68-G72 WeakPolarHBondContact CD-O 3.25Å; K68-G72 WeakPolarHBondContact CE-O 3.36Å; K68-G72 PolarHBondContact NZ-O 2.71Å; K68-N73 CarbonylContact C-O 3.46Å; K68-N73 WeakPolarHBondContact CA-O 3.32Å; K68-N73 WeakPolarHBondContact CD-O 3.39Å; K68-N74 WeakPolarHBondContact CE-OD1 3.47Å; K68-N74 PolarHBondContact NZ-OD1 3.19Å
69T70.2Confident78.3Confident12 Ų1232.1 Ų32.17%0.07418%0.184CC..PPolyproline II helixtrans-66.8164.9165.467.10000109.6E71 G72 N73 P157 T232T69-E71 PolarHBondContact O-N 3.5Å; T69-E71 PolarHBondContact OG1-N 2.95Å; T69-G72 PolarHBondContact O-N 3.3Å; T69-N73 PolarHBondContact N-O 3.34Å; T69-N73 PolarHBondContact OG1-N 2.93Å; T69-N73 PolarHBondContact OG1-O 2.77Å; T69-P157 HydrophobicContact CG2-CB 4.11Å; T69-T232 HydrophobicContact CG2-CG2 4.09Å
70P68.5Low78.8Confident121 Ų12134.2 Ų34.279%0.78619%0.193SC*.THydrogen-bonded Turntrans-54.2-24.1173.1-27.136.2000113.9G72P70-G72 VanDerWaalsContact C-N 3.35Å
71E71.3Confident79.1Confident113 Ų11335.7 Ų35.753%0.52820%0.201SC..THydrogen-bonded Turntrans-84.9-3.6178.4-64.5154.3-163.600113.2T69 H233T69-E71 PolarHBondContact O-N 3.5Å; T69-E71 PolarHBondContact OG1-N 2.95Å; E71-H233 IonicContact OE1-CE1 3.31Å; E71-H233 IonicContact OE1-ND1 3.39Å; E71-H233 IonicContact OE2-CE1 2.97Å; E71-H233 IonicContact OE2-ND1 2.89Å; E71-H233 PolarHBondContact OE2-ND1 3.42Å
72G76.5Confident78.7Confident39 Ų3937.9 Ų37.940%0.40222%0.216SC..SBendtrans86.7-1.8-179.200000115.2K68 T69 P70K68-G72 WeakPolarHBondContact CD-O 3.25Å; K68-G72 WeakPolarHBondContact CE-O 3.36Å; K68-G72 PolarHBondContact NZ-O 2.71Å; T69-G72 PolarHBondContact O-N 3.3Å; P70-G72 VanDerWaalsContact C-N 3.35Å
73N80.4Confident78.3Confident42 Ų4238.3 Ų38.323%0.22522%0.22CC..SBendtrans-74.3157.6175-64.6-25.6000110.8K68 T69 G75 T232K68-N73 CarbonylContact C-O 3.46Å; K68-N73 WeakPolarHBondContact CA-O 3.32Å; K68-N73 WeakPolarHBondContact CD-O 3.39Å; T69-N73 PolarHBondContact N-O 3.34Å; T69-N73 PolarHBondContact OG1-N 2.93Å; T69-N73 PolarHBondContact OG1-O 2.77Å; N73-G75 PolarHBondContact O-N 3.23Å; N73-T232 WeakPolarHBondContact CB-O 3.43Å; N73-T232 PolarHBondContact ND2-O 2.74Å
74N78.7Confident78Confident33 Ų3343.8 Ų43.818%0.17624%0.244CC..EExtended strand (participates in β ladder)trans-66137.6170.4-60.8-23.9000108.8D64 K68D64-N74 HydrophobicContact CB-CB 3.99Å; K68-N74 WeakPolarHBondContact CE-OD1 3.47Å; K68-N74 PolarHBondContact NZ-OD1 3.19Å
75G82.9Confident78.2Confident7 Ų743.3 Ų43.37%0.07224%0.241CC..EExtended strand (participates in β ladder)trans-72.8-168.2169.200000111.6D64 S65 T67 N73D64-G75 WeakPolarHBondContact CA-O 3.4Å; S65-G75 PolarHBondContact N-O 3.36Å; S65-G75 WeakPolarHBondContact OG-CA 3.37Å; S65-G75 PolarHBondContact OG-N 3.2Å; S65-G75 VanDerWaalsContact OG-N 3.11Å; S65-G75 PolarHBondContact OG-O 2.61Å; T67-G75 PolarHBondContact O-N 3.4Å; N73-G75 PolarHBondContact O-N 3.23Å
76I85.4Confident78.5Confident11 Ų1149.5 Ų49.56%0.05627%0.268CS..EExtended strand (participates in β ladder)trans-123.2136.2-179.7-70.2171.6000109.3I63 L78 M158 I161 K230 T232I63-I76 WeakPolarHBondContact O-CA 3.41Å; I76-L78 HydrophobicContact CG2-CD2 4.26Å; I76-L78 HydrophobicContact CG2-CG 4.33Å; I76-M158 HydrophobicContact CB-CB 4.35Å; I76-M158 HydrophobicContact CG2-CE 4.46Å; I76-M158 HydrophobicContact CG2-SD 4.41Å; I76-M158 WeakPolarHBondContact O-CE 3.36Å; I76-I161 HydrophobicContact CD1-CD1 4.25Å; I76-I161 HydrophobicContact CD1-CG1 4.14Å; I76-I161 HydrophobicContact CD1-CG2 4.24Å; I76-I161 HydrophobicContact CG2-CD1 3.92Å; I76-I161 HydrophobicContact CG2-CG2 4.23Å; I76-K230 HydrophobicContact CD1-CD 4.48Å; I76-K230 HydrophobicContact CD1-CG 4.39Å; I76-T232 HydrophobicContact CB-CG2 4.46Å; I76-T232 HydrophobicContact CD1-CG2 3.69Å; I76-T232 HydrophobicContact CG1-CG2 3.64Å
77V85.4Confident78.9Confident12 Ų1249 Ų497%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-105.2131166.3-173.70000108.9G62 I63 L79G62-V77 WeakPolarHBondContact CA-O 3.34Å; I63-V77 HydrophobicContact CG1-CB 4.17Å; I63-V77 PolarHBondContact N-O 2.89Å; I63-V77 VanDerWaalsContact N-O 3.09Å; I63-V77 PolarHBondContact O-N 3.29Å; V77-L79 HydrophobicContact CG1-CD1 4.49Å; V77-L79 HydrophobicContact CG1-CD2 3.88Å; V77-L79 HydrophobicContact CG1-CG 3.97Å
78L85.3Confident79.5Confident9 Ų945 Ų455%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-106.7120.1170.8-67.1177.9000109.9I61 I76 P128 T130 M158 I161I61-L78 WeakPolarHBondContact O-CA 3.41Å; I76-L78 HydrophobicContact CG2-CD2 4.26Å; I76-L78 HydrophobicContact CG2-CG 4.33Å; L78-P128 HydrophobicContact CD2-CB 3.95Å; L78-P128 HydrophobicContact CD2-CG 3.92Å; L78-T130 HydrophobicContact CD1-CG2 4.31Å; L78-M158 HydrophobicContact CB-CE 4.39Å; L78-M158 HydrophobicContact CD1-CE 4.15Å; L78-M158 HydrophobicContact CD1-SD 3.43Å; L78-M158 WeakPolarHBondContact CD1-SD 3.46Å; L78-M158 HydrophobicContact CG-CE 3.96Å; L78-M158 HydrophobicContact CG-SD 3.75Å; L78-I161 HydrophobicContact CD1-CG2 4.41Å; L78-I161 HydrophobicContact CD2-CD1 4.11Å; L78-I161 HydrophobicContact CD2-CG2 4.2Å
79L84.7Confident80.1Confident13 Ų1341.4 Ų41.47%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-114.1114.9174.8-57.9171.4000107.1G60 I61 I63 V77 I92 L98G60-L79 CarbonylContact C-O 3.47Å; G60-L79 WeakPolarHBondContact CA-O 3.31Å; I61-L79 HydrophobicContact CD1-CD1 4.2Å; I61-L79 HydrophobicContact CG1-CB 3.91Å; I61-L79 HydrophobicContact CG1-CD1 4.36Å; I61-L79 PolarHBondContact N-O 3.21Å; I61-L79 PolarHBondContact O-N 3Å; I63-L79 HydrophobicContact CD1-CD1 4.49Å; V77-L79 HydrophobicContact CG1-CD1 4.49Å; V77-L79 HydrophobicContact CG1-CD2 3.88Å; V77-L79 HydrophobicContact CG1-CG 3.97Å; L79-I92 HydrophobicContact CB-CG1 4.32Å; L79-I92 HydrophobicContact CD1-CG1 3.81Å; L79-I92 HydrophobicContact CD1-CG2 4.17Å; L79-L98 HydrophobicContact CD1-CD2 3.8Å
80K83.1Confident80.9Confident46 Ų4644.3 Ų44.320%0.225%0.245CC..EExtended strand (participates in β ladder)trans-128.2138.1-175.8-63.3174.7177.1-165.50109.4L59 W123 S126 P128L59-K80 CarbonylContact O-C 3.55Å; L59-K80 VanDerWaalsContact O-CA 3.25Å; L59-K80 WeakPolarHBondContact O-CA 3.06Å; K80-W123 WeakPolarHBondContact CD-O 3.44Å; K80-S126 WeakPolarHBondContact CE-O 3.25Å; K80-S126 PolarHBondContact NZ-O 3.39Å; K80-P128 WeakPolarHBondContact CE-O 3.12Å; K80-P128 PolarHBondContact NZ-O 2.83Å
81N77.8Confident81.6Confident32 Ų3239.3 Ų39.317%0.17121%0.213CC..EExtended strand (participates in β ladder)trans-139.6154.1176.4-151.6-18.4000112.1F58 L59 A87 L88 S91F58-N81 WeakPolarHBondContact CA-O 3.32Å; L59-N81 PolarHBondContact N-O 2.85Å; L59-N81 PolarHBondContact O-N 2.8Å; N81-A87 PolarHBondContact ND2-O 2.85Å; N81-L88 HydrophobicContact CB-CB 4.15Å; N81-L88 HydrophobicContact CB-CD1 3.86Å; N81-S91 VanDerWaalsContact ND2-CB 3.35Å; N81-S91 WeakPolarHBondContact ND2-CB 3.48Å; N81-S91 PolarHBondContact ND2-OG 2.9Å; N81-S91 VanDerWaalsContact ND2-OG 3.1Å
82S74.8Confident82.2Confident46 Ų4633.9 Ų33.932%0.32219%0.188SC..EExtended strand (participates in β ladder)trans-88.1141.9167.574.50000110.2S57 F58S57-S82 CarbonylContact O-C 3.57Å; S57-S82 WeakPolarHBondContact O-CA 3.45Å; F58-S82 VanDerWaalsContact CD1-CA 3.46Å
83G71.7Confident82.8Confident9 Ų936.3 Ų36.39%0.09319%0.186CC..SBendtrans111.7-147.7176.700000112.7S57 L59S57-G83 CarbonylContact C-O 3.49Å; S57-G83 WeakPolarHBondContact CB-O 3.38Å; S57-G83 PolarHBondContact O-N 3.1Å; S57-G83 PolarHBondContact OG-O 2.83Å; L59-G83 WeakPolarHBondContact CD1-O 3.5Å
84K77.9Confident83Confident116 Ų11640.3 Ų40.350%0.50420%0.203SC..SBendtrans-83.2165.1-178.2-65-176.7179.1-175.80110.7E34 L59 K86 A87 L88E34-K84 WeakPolarHBondContact OE1-CB 3.26Å; L59-K84 VanDerWaalsContact CD1-O 3.32Å; L59-K84 WeakPolarHBondContact CD1-O 3.01Å; K84-K86 PolarHBondContact O-N 2.8Å; K84-K86 VanDerWaalsContact O-N 3.13Å; K84-A87 WeakPolarHBondContact O-CB 3.2Å; K84-A87 PolarHBondContact O-N 2.87Å; K84-L88 PolarHBondContact O-N 3.24Å
85V84.7Confident83.1Confident1 Ų139.3 Ų39.31%0.00620%0.198CC..Hα-helixtrans-52.9-38.6175.4-176.80000111I27 L30 Q31 E34 L59 A87 L88 E89 T113I27-V85 HydrophobicContact CD1-CG1 4.37Å; I27-V85 HydrophobicContact CG2-CG1 4.08Å; L30-V85 HydrophobicContact CB-CG1 3.91Å; L30-V85 HydrophobicContact CB-CG2 4.03Å; Q31-V85 HydrophobicContact CG-CB 4.13Å; Q31-V85 HydrophobicContact CG-CG1 3.68Å; E34-V85 HydrophobicContact CB-CG2 4.03Å; E34-V85 HydrophobicContact CG-CG2 3.75Å; E34-V85 PolarHBondContact OE1-N 3.18Å; L59-V85 HydrophobicContact CD2-CB 4.04Å; L59-V85 HydrophobicContact CD2-CG1 4.47Å; L59-V85 HydrophobicContact CD2-CG2 3.34Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.27Å; V85-L88 WeakPolarHBondContact O-CA 3.33Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 3.04Å; V85-E89 PolarHBondContact O-N 2.89Å; V85-T113 HydrophobicContact CG2-CG2 4.28Å
86K85.2Confident82.8Confident132 Ų13246.4 Ų46.457%0.57423%0.234SC*.Hα-helixtrans-56.4-37.5175.7-174.8169.3-176.6172.10114K84 L88 E89 D90K84-K86 PolarHBondContact O-N 2.8Å; K84-K86 VanDerWaalsContact O-N 3.13Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.26Å; K86-E89 WeakPolarHBondContact O-CB 3.34Å; K86-E89 PolarHBondContact O-N 2.89Å; K86-D90 WeakPolarHBondContact O-CB 3.44Å; K86-D90 PolarHBondContact O-N 3.45Å
87A84.3Confident82.4Confident31 Ų3151.7 Ų51.726%0.25626%0.263SS..Hα-helixtrans-68-35.2177.700000111.5N81 K84 V85 S91N81-A87 PolarHBondContact ND2-O 2.85Å; K84-A87 WeakPolarHBondContact O-CB 3.2Å; K84-A87 PolarHBondContact O-N 2.87Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.27Å; A87-S91 WeakPolarHBondContact O-CB 3.47Å; A87-S91 PolarHBondContact O-N 3.37Å; A87-S91 VanDerWaalsContact O-N 3.09Å; A87-S91 PolarHBondContact O-OG 3.06Å; A87-S91 VanDerWaalsContact O-OG 3.11Å
88L84.9Confident82.2Confident0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-65.5-46.5172.6-179.167.7000110.7I27 L30 L59 I61 N81 K84 V85 K86 S91 I92I27-L88 HydrophobicContact CD1-CD2 3.88Å; I27-L88 HydrophobicContact CD1-CG 4.07Å; L30-L88 HydrophobicContact CD1-CD2 4.1Å; L59-L88 HydrophobicContact CB-CB 4.28Å; L59-L88 HydrophobicContact CB-CD2 3.71Å; I61-L88 HydrophobicContact CG2-CD2 4.23Å; N81-L88 HydrophobicContact CB-CB 4.15Å; N81-L88 HydrophobicContact CB-CD1 3.86Å; K84-L88 PolarHBondContact O-N 3.24Å; V85-L88 WeakPolarHBondContact O-CA 3.33Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 3.04Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.26Å; L88-S91 WeakPolarHBondContact CA-OG 3.46Å; L88-S91 PolarHBondContact O-N 3.01Å; L88-S91 PolarHBondContact O-OG 3.43Å; L88-I92 HydrophobicContact CD1-CD1 4.34Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 3.16Å
89E88.4Confident82.2Confident45 Ų4557.2 Ų57.221%0.2129%0.287CS..Hα-helixtrans-55.5-55.4175.8-177.9176.3-152.200111.8I27 Q31 V85 K86 S91 I92 Y93I27-E89 HydrophobicContact CD1-CB 4.34Å; I27-E89 HydrophobicContact CG2-CB 4.01Å; I27-E89 HydrophobicContact CG2-CG 4.04Å; Q31-E89 PolarHBondContact NE2-OE2 2.84Å; V85-E89 PolarHBondContact O-N 2.89Å; K86-E89 WeakPolarHBondContact O-CB 3.34Å; K86-E89 PolarHBondContact O-N 2.89Å; E89-S91 PolarHBondContact O-N 3.41Å; E89-I92 PolarHBondContact O-N 3.46Å; E89-Y93 HydrophobicContact CG-CD2 4.13Å; E89-Y93 HydrophobicContact CG-CE2 4.1Å; E89-Y93 WeakPolarHBondContact O-CD2 3.41Å; E89-Y93 PolarHBondContact O-N 2.7Å
90D88.2Confident82.3Confident72 Ų7258.2 Ų58.239%0.38529%0.292SS..Hα-helixtrans-53.6-43.9177.4-63.8-21.7000110.3K86 I92 Y93 E94K86-D90 WeakPolarHBondContact O-CB 3.44Å; K86-D90 PolarHBondContact O-N 3.45Å; D90-I92 VanDerWaalsContact C-N 3.34Å; D90-I92 PolarHBondContact O-N 3.26Å; D90-Y93 PolarHBondContact O-N 3.43Å; D90-E94 WeakPolarHBondContact O-CB 3.38Å; D90-E94 VanDerWaalsContact O-CG 3.31Å; D90-E94 WeakPolarHBondContact O-CG 3.21Å; D90-E94 PolarHBondContact O-N 2.97Å
91S82.3Confident82.6Confident16 Ų1664.5 Ų64.511%0.11232%0.323CS..Hα-helixtrans-70.1-22.2179.7640000115.5N81 A87 L88 E89 F149N81-S91 VanDerWaalsContact ND2-CB 3.35Å; N81-S91 WeakPolarHBondContact ND2-CB 3.48Å; N81-S91 PolarHBondContact ND2-OG 2.9Å; N81-S91 VanDerWaalsContact ND2-OG 3.1Å; A87-S91 WeakPolarHBondContact O-CB 3.47Å; A87-S91 PolarHBondContact O-N 3.37Å; A87-S91 VanDerWaalsContact O-N 3.09Å; A87-S91 PolarHBondContact O-OG 3.06Å; A87-S91 VanDerWaalsContact O-OG 3.11Å; L88-S91 WeakPolarHBondContact CA-OG 3.46Å; L88-S91 PolarHBondContact O-N 3.01Å; L88-S91 PolarHBondContact O-OG 3.43Å; E89-S91 PolarHBondContact O-N 3.41Å; S91-F149 WeakPolarHBondContact O-CE1 3.32Å; S91-F149 VanDerWaalsContact O-CZ 3.23Å; S91-F149 WeakPolarHBondContact O-CZ 3.48Å
92I84.7Confident83Confident0 Ų066.8 Ų66.80%033%0.329CS..Hα-helixtrans-78.4-41.9176.3-66160.2000109.7V23 I27 I61 L79 L88 E89 D90 E94 N95 L98V23-I92 HydrophobicContact CG1-CD1 4.11Å; V23-I92 HydrophobicContact CG1-CG2 3.78Å; V23-I92 HydrophobicContact CG2-CG2 4.36Å; I27-I92 HydrophobicContact CD1-CD1 3.83Å; I27-I92 HydrophobicContact CG1-CD1 4.22Å; I61-I92 HydrophobicContact CD1-CD1 3.56Å; I61-I92 HydrophobicContact CD1-CG1 4.38Å; I61-I92 HydrophobicContact CG1-CD1 4.25Å; L79-I92 HydrophobicContact CB-CG1 4.32Å; L79-I92 HydrophobicContact CD1-CG1 3.81Å; L79-I92 HydrophobicContact CD1-CG2 4.17Å; L88-I92 HydrophobicContact CD1-CD1 4.34Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 3.16Å; E89-I92 PolarHBondContact O-N 3.46Å; D90-I92 VanDerWaalsContact C-N 3.34Å; D90-I92 PolarHBondContact O-N 3.26Å; I92-E94 VanDerWaalsContact C-N 3.35Å; I92-N95 WeakPolarHBondContact O-CB 3.39Å; I92-N95 PolarHBondContact O-N 3.41Å; I92-L98 HydrophobicContact CG2-CD2 3.89Å
93Y87.2Confident83.8Confident89 Ų8970.3 Ų70.335%0.34934%0.34SS..Hα-helixtrans-74.4-24.2179.6-77.5-71.4000113.7E20 N24 E89 D90 N95 L100E20-Y93 HydrophobicContact CG-CE1 4.43Å; N24-Y93 PolarHBondContact ND2-OH 2.96Å; N24-Y93 PolarHBondContact OD1-OH 3.36Å; E89-Y93 HydrophobicContact CG-CD2 4.13Å; E89-Y93 HydrophobicContact CG-CE2 4.1Å; E89-Y93 WeakPolarHBondContact O-CD2 3.41Å; E89-Y93 PolarHBondContact O-N 2.7Å; D90-Y93 PolarHBondContact O-N 3.43Å; Y93-N95 PolarHBondContact O-N 3.13Å; Y93-L100 HydrophobicContact CD1-CD1 3.86Å; Y93-L100 HydrophobicContact CE1-CD1 3.97Å
94E86.5Confident84.7Confident127 Ų12770.3 Ų70.359%0.59334%0.338SS*.THydrogen-bonded Turntrans-79.81.2171.6-73.6175.6-177.200113.2D90 I92 D96 F149D90-E94 WeakPolarHBondContact O-CB 3.38Å; D90-E94 VanDerWaalsContact O-CG 3.31Å; D90-E94 WeakPolarHBondContact O-CG 3.21Å; D90-E94 PolarHBondContact O-N 2.97Å; I92-E94 VanDerWaalsContact C-N 3.35Å; E94-D96 PolarHBondContact O-N 3.31Å; E94-F149 HydrophobicContact CB-CE2 4.05Å; E94-F149 HydrophobicContact CB-CZ 3.65Å
95N80.1Confident85.3Confident12 Ų1271.4 Ų71.46%0.06434%0.343CS..  trans-94.496.4-176.3-170.3-6.4000112.7I92 Y93 D97 L98 F149 V151I92-N95 WeakPolarHBondContact O-CB 3.39Å; I92-N95 PolarHBondContact O-N 3.41Å; Y93-N95 PolarHBondContact O-N 3.13Å; N95-D97 PolarHBondContact O-N 3.28Å; N95-D97 PolarHBondContact OD1-N 3.22Å; N95-L98 HydrophobicContact CB-CB 4.33Å; N95-L98 PolarHBondContact O-N 3.45Å; N95-F149 HydrophobicContact CB-CE1 3.97Å; N95-V151 WeakPolarHBondContact ND2-CG2 3.47Å
96D76.9Confident85.6Confident156 Ų15673.2 Ų73.283%0.83435%0.353SS*.THydrogen-bonded Turntrans-64.3-22.1180-65.2-31.2000114E94 L98E94-D96 PolarHBondContact O-N 3.31Å; D96-L98 VanDerWaalsContact C-N 3.28Å; D96-L98 PolarHBondContact O-N 2.93Å
97D76.5Confident85.9Confident122 Ų12266.9 Ų66.965%0.65233%0.326SS*.THydrogen-bonded Turntrans-79.6-10.3-179.9-64.8-38.4000112.7N95N95-D97 PolarHBondContact O-N 3.28Å; N95-D97 PolarHBondContact OD1-N 3.22Å
98L80.5Confident86.3Confident12 Ų1265.5 Ų65.56%0.06331%0.314CS..SBendtrans-97.9105-177.9-168.170.7000111I63 L79 I92 N95 D96 L100I63-L98 HydrophobicContact CD1-CD1 4.25Å; I63-L98 HydrophobicContact CD1-CD2 4.33Å; L79-L98 HydrophobicContact CD1-CD2 3.8Å; I92-L98 HydrophobicContact CG2-CD2 3.89Å; N95-L98 HydrophobicContact CB-CB 4.33Å; N95-L98 PolarHBondContact O-N 3.45Å; D96-L98 VanDerWaalsContact C-N 3.28Å; D96-L98 PolarHBondContact O-N 2.93Å; L98-L100 HydrophobicContact CD2-CD2 3.79Å; L98-L100 HydrophobicContact CG-CD2 4.2Å; L98-L100 PolarHBondContact O-N 3.46Å
99H85.5Confident86.7Confident124 Ų12465.5 Ų65.557%0.57431%0.314SS*.  trans-69.592.8177.8-62.4-75.5000111.7R19 D66 E101R19-H99 PolarHBondContact NH1-O 2.88Å; D66-H99 IonicContact OD2-CD2 2.84Å; D66-H99 PolarHBondContact OD2-CD2 2.89Å; D66-H99 VanDerWaalsContact OD2-CD2 3.27Å; D66-H99 IonicContact OD2-CG 3.07Å; H99-E101 VanDerWaalsContact C-N 3.34Å; H99-E101 PolarHBondContact O-N 3.32Å
100L87.4Confident87.1Confident34 Ų3463.3 Ų63.318%0.17830%0.304CS..THydrogen-bonded Turntrans-69.7-27.2-174.7-70.2-179.6000114.1R19 E20 Y93 L98 R102R19-L100 WeakPolarHBondContact CB-O 3.49Å; R19-L100 HydrophobicContact CG-CD2 4.39Å; R19-L100 PolarHBondContact N-O 2.78Å; E20-L100 HydrophobicContact CB-CB 4.21Å; E20-L100 PolarHBondContact N-O 3.11Å; Y93-L100 HydrophobicContact CD1-CD1 3.86Å; Y93-L100 HydrophobicContact CE1-CD1 3.97Å; L98-L100 HydrophobicContact CD2-CD2 3.79Å; L98-L100 HydrophobicContact CG-CD2 4.2Å; L98-L100 PolarHBondContact O-N 3.46Å; L100-R102 VanDerWaalsContact C-N 3.28Å; L100-R102 PolarHBondContact O-N 3.25Å
101E88.6Confident87.3Confident179 Ų17959.9 Ų59.984%0.83629%0.286SS*.THydrogen-bonded Turntrans-77.3-10.5-177.7-62.2-178.8172.100113.7H99 E103H99-E101 VanDerWaalsContact C-N 3.34Å; H99-E101 PolarHBondContact O-N 3.32Å; E101-E103 PolarHBondContact O-N 2.9Å
102R87.5Confident87.8Confident79 Ų7959.1 Ų59.130%0.29828%0.281SS..  trans-63.7127.2-177.9-178.5174.5176155.4-5.6111.1T18 R19 D66 L100 F104T18-R102 CarbonylContact C-O 3.57Å; T18-R102 WeakPolarHBondContact CA-O 3.4Å; R19-R102 PolarHBondContact N-O 3.4Å; D66-R102 PolarHBondContact O-NH1 3.08Å; D66-R102 WeakPolarHBondContact OD1-CD 3.31Å; D66-R102 IonicContact OD1-CZ 2.95Å; D66-R102 IonicContact OD1-NE 3.63Å; D66-R102 PolarHBondContact OD1-NE 3.15Å; D66-R102 IonicContact OD1-NH1 3.99Å; D66-R102 PolarHBondContact OD1-NH1 2.87Å; L100-R102 VanDerWaalsContact C-N 3.28Å; L100-R102 PolarHBondContact O-N 3.25Å; R102-F104 HydrophobicContact CB-CE2 4.04Å; R102-F104 VanDerWaalsContact CD-CZ 3.48Å; R102-F104 HydrophobicContact CG-CD2 4.3Å; R102-F104 HydrophobicContact CG-CE2 3.66Å; R102-F104 HydrophobicContact CG-CZ 3.9Å
103E91.1Very high88Confident120 Ų12059.2 Ų59.256%0.56128%0.281SS*.EExtended strand (participates in β ladder)trans-89.7137176.4-167.1-1788900112P16 R17 E101P16-E103 HydrophobicContact CB-CG 3.89Å; R17-E103 CarbonylContact O-C 3.5Å; R17-E103 WeakPolarHBondContact O-CA 3.47Å; E101-E103 PolarHBondContact O-N 2.9Å
104F89.9Confident87.7Confident9 Ų955.3 Ų55.34%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-122.1121.1174.8-65.4-96.2000109.9N12 P16 R17 R19 D64 R102 T106 H107N12-F104 PolarHBondContact ND2-O 2.91Å; N12-F104 VanDerWaalsContact ND2-O 3.11Å; P16-F104 WeakPolarHBondContact CA-O 3.22Å; R17-F104 PolarHBondContact N-O 3.38Å; R17-F104 PolarHBondContact O-N 2.87Å; R19-F104 HydrophobicContact CB-CE2 4.19Å; D64-F104 HydrophobicContact CB-CD1 4.44Å; D64-F104 HydrophobicContact CB-CE1 3.9Å; D64-F104 HydrophobicContact CB-CZ 4.37Å; R102-F104 HydrophobicContact CB-CE2 4.04Å; R102-F104 VanDerWaalsContact CD-CZ 3.48Å; R102-F104 HydrophobicContact CG-CD2 4.3Å; R102-F104 HydrophobicContact CG-CE2 3.66Å; R102-F104 HydrophobicContact CG-CZ 3.9Å; F104-T106 VanDerWaalsContact C-N 3.32Å; F104-H107 HydrophobicContact CB-CB 3.63Å; F104-H107 HydrophobicContact CD1-CB 4.42Å; F104-H107 HydrophobicContact CG-CB 4.06Å; F104-H107 AromaticContact CG-CD2 4Å
105K90.4Very high87.1Confident140 Ų14050.8 Ų50.861%0.60924%0.243SC*.SBendtrans-64.6-39.2171-67.7-169.8177.1-173.90112.2L14 C15 P16L14-K105 CarbonylContact C-O 3.41Å; L14-K105 WeakPolarHBondContact CA-O 3.25Å; L14-K105 PolarHBondContact N-O 2.95Å; C15-K105 PolarHBondContact N-O 3.47Å; C15-K105 VanDerWaalsContact N-O 3.1Å; P16-K105 HydrophobicContact CG-CG 4.47Å
106T91.1Very high86.5Confident38 Ų3851.3 Ų51.323%0.23325%0.249CC..SBendtrans-133.1127.9174-61.80000108.4N12 Y13 L14 F104N12-T106 WeakPolarHBondContact O-CA 3.4Å; Y13-T106 HydrophobicContact CD2-CG2 3.85Å; L14-T106 PolarHBondContact N-OG1 2.68Å; F104-T106 VanDerWaalsContact C-N 3.32Å
107H92.2Very high85.9Confident0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-147.7145.5179.5172.3-70.9000111L11 N12 V22 D64 F104L11-H107 WeakPolarHBondContact CA-O 3.39Å; N12-H107 PolarHBondContact N-O 3.44Å; N12-H107 PolarHBondContact O-N 3.07Å; N12-H107 VanDerWaalsContact O-N 3.08Å; N12-H107 VanDerWaalsContact OD1-CB 3.3Å; N12-H107 WeakPolarHBondContact OD1-CB 3.48Å; N12-H107 PolarHBondContact OD1-N 3.21Å; N12-H107 PolarHBondContact OD1-O 2.89Å; N12-H107 VanDerWaalsContact OD1-O 3.06Å; V22-H107 VanDerWaalsContact CG1-CE1 3.42Å; V22-H107 WeakPolarHBondContact CG1-CE1 3.44Å; D64-H107 PolarHBondContact N-NE2 2.9Å; D64-H107 WeakPolarHBondContact OD2-CA 3.38Å; D64-H107 IonicContact OD2-CD2 2.66Å; D64-H107 PolarHBondContact OD2-CD2 3.41Å; D64-H107 IonicContact OD2-CG 2.7Å; D64-H107 IonicContact OD2-NE2 3.09Å; F104-H107 HydrophobicContact CB-CB 3.63Å; F104-H107 HydrophobicContact CD1-CB 4.42Å; F104-H107 HydrophobicContact CG-CB 4.06Å; F104-H107 AromaticContact CG-CD2 4Å
108C92.7Very high85.6Confident1 Ų141 Ų411%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-118.3119.3175.6-66.30000110.7L11 K230 G236 L238L11-C108 WeakPolarHBondContact CD1-SG 3.46Å; C108-K230 HydrophobicContact CB-CD 3.97Å; C108-K230 HydrophobicContact CB-CG 4.42Å; C108-K230 WeakPolarHBondContact O-CE 3.36Å; C108-K230 PolarHBondContact O-NZ 2.59Å; C108-G236 VanDerWaalsContact SG-C 3.52Å; C108-G236 VanDerWaalsContact SG-CA 3.59Å; C108-L238 HydrophobicContact CB-CD2 4.12Å; C108-L238 HydrophobicContact CB-CG 4.21Å
109G93.7Very high85.2Confident0 Ų041.9 Ų41.90%021%0.205CC..EExtended strand (participates in β ladder)trans-115130.8173.800000111.2A9 Y10 G62A9-G109 CarbonylContact C-O 3.57Å; A9-G109 WeakPolarHBondContact CA-O 3.37Å; A9-G109 WeakPolarHBondContact CB-O 3.43Å; Y10-G109 PolarHBondContact N-O 2.61Å; Y10-G109 PolarHBondContact O-N 2.85Å; G62-G109 WeakPolarHBondContact O-CA 3.49Å
110I95.4Very high84.8Confident0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-120.3142.3170.769.6177.2000110.1A9 I61 G62 P128 I161 V163 V228 K230 L238A9-I110 HydrophobicContact CB-CB 4.27Å; A9-I110 HydrophobicContact CB-CG2 3.82Å; I61-I110 CarbonylContact C-O 3.46Å; I61-I110 VanDerWaalsContact CA-O 3.26Å; I61-I110 WeakPolarHBondContact CA-O 3.37Å; G62-I110 PolarHBondContact N-O 3.12Å; G62-I110 PolarHBondContact O-N 2.97Å; I110-P128 HydrophobicContact CD1-CB 4.05Å; I110-P128 HydrophobicContact CD1-CG 4.1Å; I110-P128 HydrophobicContact CG1-CB 4.41Å; I110-P128 HydrophobicContact CG1-CG 3.89Å; I110-I161 HydrophobicContact CD1-CB 4.37Å; I110-I161 HydrophobicContact CD1-CD1 3.46Å; I110-I161 VanDerWaalsContact CD1-CD1 3.46Å; I110-I161 HydrophobicContact CD1-CG1 3.6Å; I110-I161 HydrophobicContact CG1-CD1 3.75Å; I110-I161 HydrophobicContact CG1-CG1 4.43Å; I110-V163 HydrophobicContact CB-CG1 4.36Å; I110-V163 HydrophobicContact CB-CG2 4.42Å; I110-V163 HydrophobicContact CD1-CG1 3.96Å; I110-V163 HydrophobicContact CD1-CG2 4.49Å; I110-V163 HydrophobicContact CG1-CG1 4.1Å; I110-V228 HydrophobicContact CG2-CG1 3.87Å; I110-K230 HydrophobicContact CD1-CB 4.29Å; I110-K230 HydrophobicContact CG2-CB 4.36Å; I110-L238 HydrophobicContact CG2-CD2 3.81Å
111A93.4Very high83.9Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-141.3148.6-172.300000111.1F8 L26 L30 G60 I61F8-A111 PolarHBondContact N-O 3.49Å; F8-A111 WeakPolarHBondContact O-CA 3.22Å; F8-A111 WeakPolarHBondContact O-CB 3.42Å; F8-A111 PolarHBondContact O-N 2.95Å; F8-A111 VanDerWaalsContact O-O 3.07Å; L26-A111 HydrophobicContact CB-CB 4.17Å; L26-A111 HydrophobicContact CD2-CB 4.06Å; L30-A111 HydrophobicContact CD1-CB 4Å; L30-A111 HydrophobicContact CD2-CB 3.78Å; L30-A111 HydrophobicContact CG-CB 3.87Å; G60-A111 WeakPolarHBondContact O-CA 3.32Å; I61-A111 HydrophobicContact CG2-CB 3.71Å
112H92.7Very high83.3Confident0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-144.8141.6-178.2-165.3-104.7000113.9G6 L59 G60 H127 V163 H164 N165G6-H112 WeakPolarHBondContact O-CA 3.48Å; G6-H112 PolarHBondContact O-CD2 3.5Å; G6-H112 VanDerWaalsContact O-CD2 3.31Å; L59-H112 VanDerWaalsContact CA-O 3.29Å; L59-H112 WeakPolarHBondContact CA-O 3.34Å; G60-H112 PolarHBondContact N-O 3.29Å; G60-H112 PolarHBondContact O-N 3.05Å; H112-H127 HydrophobicContact CB-CB 3.76Å; H112-H127 AromaticContact CD2-ND1 3.98Å; H112-H127 AromaticContact CE1-CE1 3.99Å; H112-H127 AromaticContact CE1-CG 3.94Å; H112-H127 AromaticContact CE1-ND1 3.26Å; H112-H127 PolarHBondContact CE1-ND1 3.39Å; H112-H127 VanDerWaalsContact CE1-ND1 3.26Å; H112-H127 AromaticContact CG-ND1 3.89Å; H112-H127 WeakPolarHBondContact ND1-CB 3.49Å; H112-H127 AromaticContact ND1-CG 3.67Å; H112-H127 AromaticContact ND1-ND1 3.45Å; H112-H127 PolarHBondContact ND1-ND1 3.14Å; H112-H127 AromaticContact NE2-ND1 3.59Å; H112-V163 HydrophobicContact CB-CB 4.13Å; H112-V163 HydrophobicContact CB-CG1 3.76Å; H112-H164 PolarHBondContact NE2-O 2.82Å; H112-N165 PolarHBondContact NE2-OD1 2.77Å
113T87.9Confident82.6Confident1 Ų134.2 Ų34.21%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-106.4120.3161.841.50000107.7S5 G6 L30 L59 V85S5-T113 CarbonylContact C-O 3.47Å; S5-T113 WeakPolarHBondContact CA-O 3.34Å; S5-T113 WeakPolarHBondContact CB-O 3.4Å; S5-T113 PolarHBondContact OG-O 3.2Å; G6-T113 WeakPolarHBondContact CA-OG1 3.43Å; G6-T113 PolarHBondContact N-O 3.24Å; G6-T113 PolarHBondContact N-OG1 3.04Å; G6-T113 PolarHBondContact O-N 3.35Å; G6-T113 PolarHBondContact O-OG1 2.97Å; L30-T113 HydrophobicContact CB-CG2 4.28Å; L30-T113 HydrophobicContact CD2-CG2 4.13Å; L59-T113 HydrophobicContact CD2-CG2 3.33Å; L59-T113 HydrophobicContact CG-CG2 4.41Å; V85-T113 HydrophobicContact CG2-CG2 4.28Å
114R81Confident82.3Confident7 Ų730.1 Ų30.13%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-104.2134.5-177.8-167.7174.5-176.3-102-1.5112.3S5 F58 A116 H118 N125S5-R114 WeakPolarHBondContact OG-CA 3.44Å; F58-R114 WeakPolarHBondContact O-CB 3.32Å; F58-R114 PolarHBondContact O-N 3.27Å; R114-A116 VanDerWaalsContact NH1-CB 3.34Å; R114-H118 PolarHBondContact NH2-O 3.41Å; R114-N125 WeakPolarHBondContact CD-O 3.33Å; R114-N125 PolarHBondContact NE-O 3.28Å; R114-N125 VanDerWaalsContact NE-O 3.12Å; R114-N125 PolarHBondContact NH1-O 3.03Å
115W74Confident82Confident33 Ų3329.7 Ų29.713%0.12516%0.158CC..  trans-105.2118.1157.3-176.3-85.8000109F4 S5 Y38 D39 T117 A736F4-W115 HydrophobicContact CB-CB 3.64Å; F4-W115 HydrophobicContact CB-CD2 4.03Å; F4-W115 HydrophobicContact CB-CE3 4.31Å; F4-W115 HydrophobicContact CB-CG 3.73Å; F4-W115 AromaticContact CD2-CD1 3.78Å; F4-W115 AromaticContact CD2-CD2 3.66Å; F4-W115 HydrophobicContact CD2-CD2 3.66Å; F4-W115 AromaticContact CD2-CE2 3.59Å; F4-W115 HydrophobicContact CD2-CE3 4.24Å; F4-W115 AromaticContact CD2-CG 3.8Å; F4-W115 HydrophobicContact CD2-CG 3.8Å; F4-W115 HydrophobicContact CD2-CZ2 4.12Å; F4-W115 AromaticContact CD2-NE1 3.66Å; F4-W115 HydrophobicContact CE2-CZ2 4.24Å; F4-W115 HydrophobicContact CG-CD2 4.33Å; F4-W115 HydrophobicContact CG-CG 4.29Å; S5-W115 PolarHBondContact OG-N 3.19Å; Y38-W115 WeakPolarHBondContact O-CZ3 3.48Å; D39-W115 VanDerWaalsContact OD1-CD2 3.26Å; W115-T117 PolarHBondContact O-N 3.08Å; W115-A736 HydrophobicContact CZ3-CB 4.48Å
116A68.3Low81.7Confident22 Ų2223 Ų2318%0.18213%0.129CC..  trans-74.2110.9-170.700000112.6D39 R114 P121D39-A116 PolarHBondContact OD1-N 3.31Å; D39-A116 PolarHBondContact OD2-N 3.24Å; R114-A116 VanDerWaalsContact NH1-CB 3.34Å; A116-P121 HydrophobicContact CB-CB 3.94Å
117T65.2Low81.6Confident20 Ų2021.5 Ų21.512%0.12312%0.119CC..SBendtrans-89.2-54.7167.652.90000111M1 V3 W115M1-T117 HydrophobicContact CG-CG2 4.05Å; M1-T117 WeakPolarHBondContact O-CG2 3.4Å; V3-T117 HydrophobicContact CG2-CG2 3.6Å; W115-T117 PolarHBondContact O-N 3.08Å
118H69.2Low81.6Confident42 Ų4221.5 Ų21.519%0.19412%0.119CC..SBendtrans-103.4134.3175.4-65.290.4000111.8R114 D188 D190R114-H118 PolarHBondContact NH2-O 3.41Å; H118-D188 WeakPolarHBondContact CB-O 3.45Å; H118-D190 IonicContact ND1-OD1 2.89Å
119G72.2Confident81.5Confident30 Ų3021.8 Ų21.831%0.30912%0.121SC..SBendtrans77.1154.7179.700000114.4
120P76Confident81.4Confident72 Ų7222.3 Ų22.347%0.46812%0.124SC..  trans-62.8149.1173.327.6-33.3000110.1N122 N125 D188P120-N122 PolarHBondContact O-N 3Å; P120-N125 PolarHBondContact O-ND2 3Å; P120-D188 WeakPolarHBondContact CD-OD2 3.41Å
121P69.5Low81.1Confident26 Ų2622.4 Ų22.417%0.16913%0.125CC..SBendtrans-70.7107.8177.236.2-38.3000106.7D39 K55 F58 A116D39-P121 WeakPolarHBondContact OD2-CB 3.37Å; K55-P121 HydrophobicContact CB-CG 3.94Å; K55-P121 HydrophobicContact CG-CG 4.01Å; F58-P121 VanDerWaalsContact CD2-C 3.48Å; F58-P121 HydrophobicContact CD2-CB 3.52Å; F58-P121 HydrophobicContact CE2-CB 3.38Å; F58-P121 HydrophobicContact CE2-CG 4.16Å; F58-P121 WeakPolarHBondContact CE2-O 3.24Å; F58-P121 WeakPolarHBondContact CZ-O 3.37Å; A116-P121 HydrophobicContact CB-CB 3.94Å
122N75.1Confident80.4Confident45 Ų4522.7 Ų22.724%0.24113%0.127CC..SBendtrans-149.3167.4-179.672.235.5000109.6F58 P120 V124 N125 S126F58-N122 VanDerWaalsContact CD1-C 3.45Å; P120-N122 PolarHBondContact O-N 3Å; N122-V124 VanDerWaalsContact C-N 3.26Å; N122-V124 PolarHBondContact O-N 3.16Å; N122-V124 WeakPolarHBondContact OD1-CA 3.22Å; N122-V124 WeakPolarHBondContact OD1-CB 3.32Å; N122-V124 PolarHBondContact OD1-N 3.32Å; N122-N125 PolarHBondContact ND2-ND2 2.96Å; N122-N125 PolarHBondContact O-N 3.45Å; N122-N125 VanDerWaalsContact O-N 3.15Å; N122-N125 WeakPolarHBondContact OD1-CB 3.46Å; N122-N125 PolarHBondContact OD1-N 3.38Å; N122-N125 PolarHBondContact OD1-ND2 3.12Å; N122-S126 PolarHBondContact O-N 3.05Å; N122-S126 VanDerWaalsContact O-N 3.09Å; N122-S126 PolarHBondContact O-OG 2.93Å
123W74.5Confident79.1Confident112 Ų11225.6 Ų25.642%0.42414%0.142SC..THydrogen-bonded Turntrans-62.6-29.1-176.474.8-90.4000114.2K80 S126K80-W123 WeakPolarHBondContact CD-O 3.44Å; W123-S126 VanDerWaalsContact CA-OG 3.31Å; W123-S126 WeakPolarHBondContact CA-OG 3.4Å; W123-S126 PolarHBondContact O-N 3.45Å; W123-S126 PolarHBondContact O-OG 3.07Å
124V83.4Confident77.6Confident34 Ų3428.9 Ų28.921%0.20616%0.158CC..THydrogen-bonded Turntrans-70.5-38178.6-174.10000110.1N122 Q129 K186N122-V124 VanDerWaalsContact C-N 3.26Å; N122-V124 PolarHBondContact O-N 3.16Å; N122-V124 WeakPolarHBondContact OD1-CA 3.22Å; N122-V124 WeakPolarHBondContact OD1-CB 3.32Å; N122-V124 PolarHBondContact OD1-N 3.32Å; V124-Q129 PolarHBondContact O-NE2 3.01Å; V124-K186 HydrophobicContact CG1-CB 4.11Å; V124-K186 WeakPolarHBondContact CG1-O 3.42Å
125N84.6Confident75.7Confident1 Ų133 Ų331%0.00518%0.18CC..THydrogen-bonded Turntrans-84.7-9.5-180-66.6-22.5000112.8R114 P120 N122 Q129 S187 D188 T189R114-N125 WeakPolarHBondContact CD-O 3.33Å; R114-N125 PolarHBondContact NE-O 3.28Å; R114-N125 VanDerWaalsContact NE-O 3.12Å; R114-N125 PolarHBondContact NH1-O 3.03Å; P120-N125 PolarHBondContact O-ND2 3Å; N122-N125 PolarHBondContact ND2-ND2 2.96Å; N122-N125 PolarHBondContact O-N 3.45Å; N122-N125 VanDerWaalsContact O-N 3.15Å; N122-N125 WeakPolarHBondContact OD1-CB 3.46Å; N122-N125 PolarHBondContact OD1-N 3.38Å; N122-N125 PolarHBondContact OD1-ND2 3.12Å; N125-Q129 PolarHBondContact O-NE2 2.79Å; N125-S187 WeakPolarHBondContact OD1-CA 3.28Å; N125-S187 WeakPolarHBondContact OD1-CB 3.26Å; N125-D188 PolarHBondContact OD1-N 3.3Å; N125-T189 HydrophobicContact CB-CG2 3.66Å; N125-T189 WeakPolarHBondContact O-CG2 3.43Å
126S84.2Confident74Confident0 Ų032.6 Ų32.60%019%0.186CC..SBendtrans-69.5144.6173.6-34.20000111.6F58 K80 N122 W123 Q129F58-S126 WeakPolarHBondContact CB-OG 3.5Å; F58-S126 WeakPolarHBondContact CD1-OG 3.16Å; K80-S126 WeakPolarHBondContact CE-O 3.25Å; K80-S126 PolarHBondContact NZ-O 3.39Å; N122-S126 PolarHBondContact O-N 3.05Å; N122-S126 VanDerWaalsContact O-N 3.09Å; N122-S126 PolarHBondContact O-OG 2.93Å; W123-S126 VanDerWaalsContact CA-OG 3.31Å; W123-S126 WeakPolarHBondContact CA-OG 3.4Å; W123-S126 PolarHBondContact O-N 3.45Å; W123-S126 PolarHBondContact O-OG 3.07Å; S126-Q129 PolarHBondContact O-NE2 3.11Å
127H88.5Confident72.1Confident5 Ų539.3 Ų39.32%0.02321%0.211CC..SBendtrans-82.2156.8168.8-60.7176.4000110.2G60 H112 V163 H164 T191G60-H127 WeakPolarHBondContact CA-O 3.43Å; H112-H127 HydrophobicContact CB-CB 3.76Å; H112-H127 AromaticContact CD2-ND1 3.98Å; H112-H127 AromaticContact CE1-CE1 3.99Å; H112-H127 AromaticContact CE1-CG 3.94Å; H112-H127 AromaticContact CE1-ND1 3.26Å; H112-H127 PolarHBondContact CE1-ND1 3.39Å; H112-H127 VanDerWaalsContact CE1-ND1 3.26Å; H112-H127 AromaticContact CG-ND1 3.89Å; H112-H127 WeakPolarHBondContact ND1-CB 3.49Å; H112-H127 AromaticContact ND1-CG 3.67Å; H112-H127 AromaticContact ND1-ND1 3.45Å; H112-H127 PolarHBondContact ND1-ND1 3.14Å; H112-H127 AromaticContact NE2-ND1 3.59Å; H127-V163 HydrophobicContact CB-CG1 4.29Å; H127-H164 PolarHBondContact CE1-O 2.99Å; H127-H164 PolarHBondContact ND1-N 2.99Å; H127-H164 PolarHBondContact ND1-O 3.43Å; H127-H164 VanDerWaalsContact ND1-O 3.15Å; H127-T191 PolarHBondContact CE1-OG1 3.31Å; H127-T191 PolarHBondContact NE2-OG1 3.38Å
128P91.6Very high70.3Confident0 Ų049.3 Ų49.30%025%0.247CC..SBendcis-67.8136.8-0.5-1931.9000113.9L78 K80 I110 I161 I162 V163L78-P128 HydrophobicContact CD2-CB 3.95Å; L78-P128 HydrophobicContact CD2-CG 3.92Å; K80-P128 WeakPolarHBondContact CE-O 3.12Å; K80-P128 PolarHBondContact NZ-O 2.83Å; I110-P128 HydrophobicContact CD1-CB 4.05Å; I110-P128 HydrophobicContact CD1-CG 4.1Å; I110-P128 HydrophobicContact CG1-CB 4.41Å; I110-P128 HydrophobicContact CG1-CG 3.89Å; P128-I161 HydrophobicContact CB-CB 4.15Å; P128-I161 HydrophobicContact CB-CD1 4.3Å; P128-I162 CarbonylContact C-O 3.46Å; P128-I162 WeakPolarHBondContact CA-O 3.22Å; P128-V163 HydrophobicContact CB-CG1 3.96Å; P128-V163 HydrophobicContact CG-CG1 3.75Å
129Q91Very high68.3Low7 Ų753.6 Ų53.63%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-78.2151.3168.6-72.7-59.4-14.400110V124 N125 S126 I161 I162 T189 T191 V195V124-Q129 PolarHBondContact O-NE2 3.01Å; N125-Q129 PolarHBondContact O-NE2 2.79Å; S126-Q129 PolarHBondContact O-NE2 3.11Å; Q129-I161 CarbonylContact O-C 3.53Å; Q129-I161 WeakPolarHBondContact O-CA 3.41Å; Q129-I162 HydrophobicContact CB-CG2 4.01Å; Q129-I162 PolarHBondContact N-O 2.97Å; Q129-I162 PolarHBondContact O-N 3.3Å; Q129-T189 PolarHBondContact NE2-OG1 3.36Å; Q129-T191 HydrophobicContact CB-CG2 4.02Å; Q129-T191 HydrophobicContact CG-CG2 3.79Å; Q129-V195 HydrophobicContact CB-CG1 4.2Å
130T91.1Very high66.2Low12 Ų1258.1 Ų58.17%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-125.1149.3-175179.90000112.4L78 S132 F154 F160 V195L78-T130 HydrophobicContact CD1-CG2 4.31Å; T130-S132 VanDerWaalsContact C-N 3.29Å; T130-S132 PolarHBondContact O-N 3.42Å; T130-S132 PolarHBondContact OG1-N 3.43Å; T130-F154 HydrophobicContact CG2-CZ 4.19Å; T130-F160 WeakPolarHBondContact CA-O 3.41Å; T130-F160 PolarHBondContact OG1-O 2.96Å; T130-V195 VanDerWaalsContact O-CG1 3.3Å; T130-V195 WeakPolarHBondContact O-CG1 3.08Å
131S90.2Very high63.8Low1 Ų165 Ų651%0.00731%0.309CS..  trans-73.6-14.4173.958.20000114.2F160 V195 K196S131-F160 PolarHBondContact N-O 2.9Å; S131-F160 PolarHBondContact OG-N 2.87Å; S131-F160 VanDerWaalsContact OG-N 3.09Å; S131-V195 VanDerWaalsContact N-CG2 3.33Å; S131-K196 WeakPolarHBondContact O-CE 3.33Å; S131-K196 PolarHBondContact O-NZ 3.38Å
132S78.9Confident61.7Low6 Ų673.2 Ų73.24%0.04234%0.344CS..  trans-65.4137.3-173.6-179.10000113T130 F154 K186 K196T130-S132 VanDerWaalsContact C-N 3.29Å; T130-S132 PolarHBondContact O-N 3.42Å; T130-S132 PolarHBondContact OG1-N 3.43Å; S132-F154 VanDerWaalsContact OG-CD1 3.23Å; S132-F154 WeakPolarHBondContact OG-CD1 3.5Å; S132-K186 PolarHBondContact O-NZ 3.34Å; S132-K196 PolarHBondContact O-NZ 2.97Å; S132-K196 VanDerWaalsContact O-NZ 3.08Å
133D65.1Low59.4Low61 Ų6173.8 Ų73.833%0.32636%0.361SS..  trans-85.6-14.5179.7-67-42.1000113.6E184 K186 K196D133-E184 PolarHBondContact OD1-N 2.74Å; D133-K186 WeakPolarHBondContact O-CE 3.47Å; D133-K186 PolarHBondContact O-NZ 3.26Å; D133-K196 IonicContact OD1-NZ 3.46Å; D133-K196 PolarHBondContact OD1-NZ 3Å
134E55.5Low57.1Low71 Ų7174.9 Ų74.933%0.33238%0.38SS..  trans-87.3132.5-173.5-68.6-168.2160.200115.3F154 P155 Q156 K186E134-F154 HydrophobicContact CB-CD1 4.42Å; E134-F154 WeakPolarHBondContact O-CD1 3.45Å; E134-F154 WeakPolarHBondContact O-CE1 3.44Å; E134-P155 WeakPolarHBondContact OE2-CB 3.42Å; E134-P155 WeakPolarHBondContact OE2-CD 3.19Å; E134-P155 WeakPolarHBondContact OE2-CG 3.49Å; E134-Q156 HydrophobicContact CG-CG 4.49Å; E134-K186 PolarHBondContact O-NZ 3.22Å
135N41.7Very low54.4Low92 Ų9278.5 Ų78.549%0.49240%0.401SS..  trans-59.1141.2167.9-77.8-54000109.4K137N135-K137 HydrophobicContact CB-CB 3.92Å; N135-K137 HydrophobicContact CB-CD 4.03Å; N135-K137 HydrophobicContact CB-CG 3.91Å; N135-K137 PolarHBondContact O-N 2.98Å
136G37.8Very low51.6Low25 Ų2583.2 Ų83.226%0.25843%0.43SS..SBendtrans-6451.3163.500000112.9
137K28.3Very low49.3Very low164 Ų16492.2 Ų92.271%0.71347%0.472SS*.  trans-116.861.5-176-85.1-174.2175.3178.20109N135N135-K137 HydrophobicContact CB-CB 3.92Å; N135-K137 HydrophobicContact CB-CD 4.03Å; N135-K137 HydrophobicContact CB-CG 3.91Å; N135-K137 PolarHBondContact O-N 2.98Å
138R28.2Very low47Very low229 Ų229102.1 Ų102.186%0.86451%0.509SS*.  trans175.3101.4145.8-110.7173.3158.8170.4-6.2110.9
139L27.8Very low44.3Very low133 Ų133106.1 Ų106.170%0.69653%0.527SS*.  trans-172.965.4135.7-97.9160.2000107.2R141L139-R141 HydrophobicContact CD2-CG 4.36Å
140V27.2Very low42Very low125 Ų125113.7 Ų113.776%0.75856%0.555SS**  trans-91.789.1158.3-1780000105.4
141R25.6Very low39.8Very low217 Ų217115.1 Ų115.182%0.81956%0.564SS**  trans-87.7108.6161.5-87.7-177.1168.7174.9-2.3106.7L139L139-R141 HydrophobicContact CD2-CG 4.36Å
142H25.6Very low37.6Very low198 Ų198115.9 Ų115.992%0.91757%0.568SS**SBendtrans29.988.1161.4-64.385.5000116.9
143G25.8Very low35.8Very low57 Ų57119.8 Ų119.859%0.58859%0.588SS**SBendtrans173.4126.6169.100000112.3V145G143-V145 PolarHBondContact O-N 3.15Å
144V26.3Very low34.7Very low135 Ų135118.6 Ų118.682%0.81858%0.58SS**  trans-15.1113.9176.3-174.90000116T146V144-T146 HydrophobicContact CG1-CG2 4.45Å; V144-T146 PolarHBondContact O-N 3.19Å; V144-T146 VanDerWaalsContact O-N 3.09Å
145V26.6Very low33.8Very low109 Ų109119.6 Ų119.666%0.66159%0.593SS**  trans-68.7103.5171178.40000109.5G143G143-V145 PolarHBondContact O-N 3.15Å
146T27.4Very low34Very low100 Ų100120.2 Ų120.261%0.61359%0.593SS**  trans-99.6130.5155.1580000108.2V144 R148V144-T146 HydrophobicContact CG1-CG2 4.45Å; V144-T146 PolarHBondContact O-N 3.19Å; V144-T146 VanDerWaalsContact O-N 3.09Å; T146-R148 PolarHBondContact O-N 3.36Å
147H35.2Very low34.8Very low190 Ų190120.6 Ų120.688%0.8859%0.591SS**THydrogen-bonded Turntrans-69.237.8-172.1-72.9-36.7000115.3
148R39.1Very low36.5Very low213 Ų213113.2 Ų113.280%0.80456%0.559SS**THydrogen-bonded Turntrans-124.2-8.9-170.6-74.5-172.3-179.3168.21.6116.7T146T146-R148 PolarHBondContact O-N 3.36Å
149F36Very low39Very low83 Ų83103.9 Ų103.936%0.36453%0.525SS..  trans-135.4136.4-172.5-99.5-97.7000112.9S91 E94 N95S91-F149 WeakPolarHBondContact O-CE1 3.32Å; S91-F149 VanDerWaalsContact O-CZ 3.23Å; S91-F149 WeakPolarHBondContact O-CZ 3.48Å; E94-F149 HydrophobicContact CB-CE2 4.05Å; E94-F149 HydrophobicContact CB-CZ 3.65Å; N95-F149 HydrophobicContact CB-CE1 3.97Å
150R42.8Very low42.1Very low166 Ų16697.5 Ų97.563%0.62649%0.492SS*.  trans-149.3100.1156.2-72.2-165.2-175.3-179.31.4109.5V152R150-V152 HydrophobicContact CB-CG2 4.35Å; R150-V152 PolarHBondContact O-N 2.72Å
151V44.6Very low45.3Very low43 Ų4391.6 Ų91.626%0.26146%0.456SS..  trans-67.6122.5152.2-177.10000105.8N95N95-V151 WeakPolarHBondContact ND2-CG2 3.47Å
152V44.8Very low48.6Very low16 Ų1681.3 Ų81.310%0.09742%0.417CS..  trans-100.887.7177.6-165.80000107.7R150 F154R150-V152 HydrophobicContact CB-CG2 4.35Å; R150-V152 PolarHBondContact O-N 2.72Å; V152-F154 HydrophobicContact CB-CD2 4.2Å; V152-F154 HydrophobicContact CB-CE2 3.71Å; V152-F154 HydrophobicContact CB-CZ 4.28Å; V152-F154 HydrophobicContact CG1-CD1 4.34Å; V152-F154 HydrophobicContact CG1-CD2 3.63Å; V152-F154 HydrophobicContact CG1-CE1 4.05Å; V152-F154 HydrophobicContact CG1-CE2 3.27Å; V152-F154 HydrophobicContact CG1-CG 4.18Å; V152-F154 HydrophobicContact CG1-CZ 3.52Å; V152-F154 VanDerWaalsContact O-CD2 3.31Å; V152-F154 WeakPolarHBondContact O-CD2 3.46Å; V152-F154 PolarHBondContact O-N 3.17Å
153D40.4Very low51.9Low88 Ų8871.9 Ų71.947%0.47137%0.373SS..  trans-73.4113.7159.7-72.9-31.3000107.5
154F41.7Very low55Low36 Ų3669.3 Ų69.316%0.15835%0.346CS..  trans-84.3130.1175.7-70.6-101.3000108.6T130 S132 E134 V152 Q156 M158T130-F154 HydrophobicContact CG2-CZ 4.19Å; S132-F154 VanDerWaalsContact OG-CD1 3.23Å; S132-F154 WeakPolarHBondContact OG-CD1 3.5Å; E134-F154 HydrophobicContact CB-CD1 4.42Å; E134-F154 WeakPolarHBondContact O-CD1 3.45Å; E134-F154 WeakPolarHBondContact O-CE1 3.44Å; V152-F154 HydrophobicContact CB-CD2 4.2Å; V152-F154 HydrophobicContact CB-CE2 3.71Å; V152-F154 HydrophobicContact CB-CZ 4.28Å; V152-F154 HydrophobicContact CG1-CD1 4.34Å; V152-F154 HydrophobicContact CG1-CD2 3.63Å; V152-F154 HydrophobicContact CG1-CE1 4.05Å; V152-F154 HydrophobicContact CG1-CE2 3.27Å; V152-F154 HydrophobicContact CG1-CG 4.18Å; V152-F154 HydrophobicContact CG1-CZ 3.52Å; V152-F154 VanDerWaalsContact O-CD2 3.31Å; V152-F154 WeakPolarHBondContact O-CD2 3.46Å; V152-F154 PolarHBondContact O-N 3.17Å; F154-Q156 CarbonylContact C-O 2.83Å; F154-Q156 WeakPolarHBondContact CB-O 3.39Å; F154-Q156 PolarHBondContact O-N 2.99Å; F154-M158 HydrophobicContact CB-CG 4.28Å; F154-M158 HydrophobicContact CD2-CE 3.24Å; F154-M158 HydrophobicContact CD2-CG 3.53Å; F154-M158 HydrophobicContact CD2-SD 3.55Å; F154-M158 VanDerWaalsContact CD2-SD 3.55Å; F154-M158 HydrophobicContact CE2-CE 3.42Å; F154-M158 VanDerWaalsContact CE2-CE 3.42Å; F154-M158 HydrophobicContact CE2-CG 3.93Å; F154-M158 HydrophobicContact CE2-SD 3.42Å; F154-M158 WeakPolarHBondContact CE2-SD 3.35Å; F154-M158 HydrophobicContact CG-CE 4.43Å; F154-M158 HydrophobicContact CG-CG 3.96Å; F154-M158 HydrophobicContact CZ-SD 4.3Å
155P36.8Very low58.1Low92 Ų9263 Ų6360%0.59731%0.308SS*.SBendtrans-58.3-28.4174.4-20.227.4000113E134E134-P155 WeakPolarHBondContact OE2-CB 3.42Å; E134-P155 WeakPolarHBondContact OE2-CD 3.19Å; E134-P155 WeakPolarHBondContact OE2-CG 3.49Å
156Q45Very low61Low106 Ų10658 Ų5850%0.49528%0.278SS..SBendtrans-99.9138168.8-61.6-64.9-12.600110.5E134 F154 M158E134-Q156 HydrophobicContact CG-CG 4.49Å; F154-Q156 CarbonylContact C-O 2.83Å; F154-Q156 WeakPolarHBondContact CB-O 3.39Å; F154-Q156 PolarHBondContact O-N 2.99Å; Q156-M158 PolarHBondContact O-N 3.05Å
157P55.5Low63.8Low32 Ų3254.7 Ų54.721%0.20826%0.256CS..  trans-56.8131.9-18022.5-30.9000110.6T69 H159T69-P157 HydrophobicContact CG2-CB 4.11Å; P157-H159 PolarHBondContact O-CD2 3.23Å; P157-H159 PolarHBondContact O-N 3.39Å; P157-H159 VanDerWaalsContact O-N 3.15Å; P157-H159 PolarHBondContact O-NE2 3.1Å
158M64.4Low66.4Low9 Ų945.6 Ų45.64%0.04421%0.214CC..  trans-67.9111.6171.9-75-168.6-107.200109.3I76 L78 F154 Q156 T232I76-M158 HydrophobicContact CB-CB 4.35Å; I76-M158 HydrophobicContact CG2-CE 4.46Å; I76-M158 HydrophobicContact CG2-SD 4.41Å; I76-M158 WeakPolarHBondContact O-CE 3.36Å; L78-M158 HydrophobicContact CB-CE 4.39Å; L78-M158 HydrophobicContact CD1-CE 4.15Å; L78-M158 HydrophobicContact CD1-SD 3.43Å; L78-M158 WeakPolarHBondContact CD1-SD 3.46Å; L78-M158 HydrophobicContact CG-CE 3.96Å; L78-M158 HydrophobicContact CG-SD 3.75Å; F154-M158 HydrophobicContact CB-CG 4.28Å; F154-M158 HydrophobicContact CD2-CE 3.24Å; F154-M158 HydrophobicContact CD2-CG 3.53Å; F154-M158 HydrophobicContact CD2-SD 3.55Å; F154-M158 VanDerWaalsContact CD2-SD 3.55Å; F154-M158 HydrophobicContact CE2-CE 3.42Å; F154-M158 VanDerWaalsContact CE2-CE 3.42Å; F154-M158 HydrophobicContact CE2-CG 3.93Å; F154-M158 HydrophobicContact CE2-SD 3.42Å; F154-M158 WeakPolarHBondContact CE2-SD 3.35Å; F154-M158 HydrophobicContact CG-CE 4.43Å; F154-M158 HydrophobicContact CG-CG 3.96Å; F154-M158 HydrophobicContact CZ-SD 4.3Å; Q156-M158 PolarHBondContact O-N 3.05Å; M158-T232 WeakPolarHBondContact O-CG2 3.33Å; M158-T232 PolarHBondContact O-OG1 3.32Å
159H80.5Confident68.8Low33 Ų3339.7 Ų39.715%0.15320%0.202CC..  trans-81.4-45.9-171.8-60.2-84.6000113.5P157 M199 S231 T232 H233P157-H159 PolarHBondContact O-CD2 3.23Å; P157-H159 PolarHBondContact O-N 3.39Å; P157-H159 VanDerWaalsContact O-N 3.15Å; P157-H159 PolarHBondContact O-NE2 3.1Å; H159-M199 HydrophobicContact CB-CE 4.01Å; H159-M199 HydrophobicContact CB-SD 3.63Å; H159-M199 WeakPolarHBondContact CD2-CE 3.45Å; H159-S231 WeakPolarHBondContact O-CA 3.4Å; H159-S231 WeakPolarHBondContact O-CB 3.42Å; H159-S231 PolarHBondContact O-OG 2.96Å; H159-T232 PolarHBondContact O-N 2.87Å; H159-T232 VanDerWaalsContact O-N 3.08Å; H159-H233 AromaticContact CE1-NE2 3.8Å; H159-H233 AromaticContact CG-NE2 3.59Å; H159-H233 AromaticContact ND1-CD2 3.91Å; H159-H233 AromaticContact ND1-CE1 3.32Å; H159-H233 PolarHBondContact ND1-CE1 2.91Å; H159-H233 VanDerWaalsContact ND1-CE1 3.32Å; H159-H233 AromaticContact ND1-NE2 2.82Å; H159-H233 PolarHBondContact ND1-NE2 2.86Å
160F92.6Very high71.6Confident0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-134.5142.1-178.1-64.1-87.7000110.4T130 S131 V195 M198 M199 Y202 F210 I213 S231 H233 F234T130-F160 WeakPolarHBondContact CA-O 3.41Å; T130-F160 PolarHBondContact OG1-O 2.96Å; S131-F160 PolarHBondContact N-O 2.9Å; S131-F160 PolarHBondContact OG-N 2.87Å; S131-F160 VanDerWaalsContact OG-N 3.09Å; F160-V195 HydrophobicContact CB-CG2 3.78Å; F160-V195 VanDerWaalsContact O-CG2 3.27Å; F160-V195 WeakPolarHBondContact O-CG2 3.48Å; F160-M198 HydrophobicContact CB-CE 4.45Å; F160-M198 HydrophobicContact CD1-CB 4.31Å; F160-M198 HydrophobicContact CD1-SD 4.35Å; F160-M198 HydrophobicContact CG-CB 4.24Å; F160-M199 HydrophobicContact CD2-CB 4.43Å; F160-M199 HydrophobicContact CD2-SD 3.92Å; F160-M199 HydrophobicContact CE2-SD 4Å; F160-Y202 HydrophobicContact CE2-CD1 4.24Å; F160-Y202 AromaticContact CE2-CG 3.97Å; F160-Y202 HydrophobicContact CE2-CG 3.97Å; F160-Y202 HydrophobicContact CZ-CD1 4.48Å; F160-Y202 HydrophobicContact CZ-CD2 4.04Å; F160-Y202 AromaticContact CZ-CG 3.85Å; F160-Y202 HydrophobicContact CZ-CG 3.85Å; F160-F210 AromaticContact CD1-CE2 3.91Å; F160-F210 HydrophobicContact CD1-CE2 3.91Å; F160-F210 HydrophobicContact CE1-CD2 4.14Å; F160-F210 AromaticContact CE1-CE2 3.87Å; F160-F210 HydrophobicContact CE1-CE2 3.87Å; F160-I213 HydrophobicContact CZ-CD1 4.48Å; F160-S231 WeakPolarHBondContact CE1-OG 3.29Å; F160-H233 AromaticContact CE2-CD2 3.93Å; F160-F234 HydrophobicContact CE1-CD2 4.31Å; F160-F234 HydrophobicContact CE1-CE2 4.16Å; F160-F234 HydrophobicContact CZ-CE2 4.22Å
161I94.1Very high74Confident0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-133.214917064.7166.8000110.9I76 L78 I110 P128 Q129 C229 K230I76-I161 HydrophobicContact CD1-CD1 4.25Å; I76-I161 HydrophobicContact CD1-CG1 4.14Å; I76-I161 HydrophobicContact CD1-CG2 4.24Å; I76-I161 HydrophobicContact CG2-CD1 3.92Å; I76-I161 HydrophobicContact CG2-CG2 4.23Å; L78-I161 HydrophobicContact CD1-CG2 4.41Å; L78-I161 HydrophobicContact CD2-CD1 4.11Å; L78-I161 HydrophobicContact CD2-CG2 4.2Å; I110-I161 HydrophobicContact CD1-CB 4.37Å; I110-I161 HydrophobicContact CD1-CD1 3.46Å; I110-I161 VanDerWaalsContact CD1-CD1 3.46Å; I110-I161 HydrophobicContact CD1-CG1 3.6Å; I110-I161 HydrophobicContact CG1-CD1 3.75Å; I110-I161 HydrophobicContact CG1-CG1 4.43Å; P128-I161 HydrophobicContact CB-CB 4.15Å; P128-I161 HydrophobicContact CB-CD1 4.3Å; Q129-I161 CarbonylContact O-C 3.53Å; Q129-I161 WeakPolarHBondContact O-CA 3.41Å; I161-C229 WeakPolarHBondContact O-CA 3.42Å; I161-K230 HydrophobicContact CD1-CB 4.18Å; I161-K230 HydrophobicContact CD1-CD 4.11Å; I161-K230 HydrophobicContact CD1-CG 4.48Å; I161-K230 HydrophobicContact CG1-CB 3.78Å; I161-K230 HydrophobicContact CG1-CG 4.35Å; I161-K230 PolarHBondContact N-O 3.22Å; I161-K230 PolarHBondContact O-N 2.94Å
162I95Very high76.3Confident1 Ų135.4 Ų35.41%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-139.2140.4-177.4-167.2170.6000111.5P128 Q129 T191 M194 V195 M198 I227 V228P128-I162 CarbonylContact C-O 3.46Å; P128-I162 WeakPolarHBondContact CA-O 3.22Å; Q129-I162 HydrophobicContact CB-CG2 4.01Å; Q129-I162 PolarHBondContact N-O 2.97Å; Q129-I162 PolarHBondContact O-N 3.3Å; I162-T191 HydrophobicContact CG2-CG2 3.69Å; I162-M194 HydrophobicContact CD1-CB 3.98Å; I162-M194 HydrophobicContact CD1-CE 4.06Å; I162-M194 HydrophobicContact CD1-SD 4.08Å; I162-V195 HydrophobicContact CG2-CB 3.79Å; I162-V195 HydrophobicContact CG2-CG1 4.48Å; I162-V195 HydrophobicContact CG2-CG2 4.27Å; I162-M198 HydrophobicContact CB-CE 4.05Å; I162-M198 HydrophobicContact CD1-CE 4.01Å; I162-M198 HydrophobicContact CG1-CE 4.46Å; I162-I227 HydrophobicContact CD1-CB 4Å; I162-I227 HydrophobicContact CD1-CD1 4.24Å; I162-I227 HydrophobicContact CD1-CG2 3.89Å; I162-I227 HydrophobicContact CG1-CB 4.21Å; I162-I227 HydrophobicContact CG1-CG2 4.37Å; I162-V228 WeakPolarHBondContact CA-O 3.47Å
163V94.3Very high78.7Confident0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-109.2139.6161.5-64.30000108.8I7 I110 H112 H127 P128 I227 V228I7-V163 HydrophobicContact CD1-CG2 4.42Å; I7-V163 HydrophobicContact CG1-CB 4.34Å; I7-V163 HydrophobicContact CG1-CG2 4.03Å; I7-V163 HydrophobicContact CG2-CG2 3.9Å; I110-V163 HydrophobicContact CB-CG1 4.36Å; I110-V163 HydrophobicContact CB-CG2 4.42Å; I110-V163 HydrophobicContact CD1-CG1 3.96Å; I110-V163 HydrophobicContact CD1-CG2 4.49Å; I110-V163 HydrophobicContact CG1-CG1 4.1Å; H112-V163 HydrophobicContact CB-CB 4.13Å; H112-V163 HydrophobicContact CB-CG1 3.76Å; H127-V163 HydrophobicContact CB-CG1 4.29Å; P128-V163 HydrophobicContact CB-CG1 3.96Å; P128-V163 HydrophobicContact CG-CG1 3.75Å; V163-I227 VanDerWaalsContact O-CA 3.26Å; V163-I227 WeakPolarHBondContact O-CA 3.48Å; V163-V228 HydrophobicContact CG2-CB 3.76Å; V163-V228 HydrophobicContact CG2-CG2 4.41Å; V163-V228 PolarHBondContact N-O 3.22Å; V163-V228 PolarHBondContact O-N 3.27Å; V163-V228 VanDerWaalsContact O-N 3.1Å
164H92.8Very high81.3Confident3 Ų335.8 Ų35.81%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-139.4133.2-171168.9-130.5000111.5H112 H127 G166 D190 T191 F225 A226 I227H112-H164 PolarHBondContact NE2-O 2.82Å; H127-H164 PolarHBondContact CE1-O 2.99Å; H127-H164 PolarHBondContact ND1-N 2.99Å; H127-H164 PolarHBondContact ND1-O 3.43Å; H127-H164 VanDerWaalsContact ND1-O 3.15Å; H164-G166 PolarHBondContact CE1-O 2.98Å; H164-G166 VanDerWaalsContact CE1-O 3.28Å; H164-G166 WeakPolarHBondContact NE2-CA 3.18Å; H164-G166 PolarHBondContact NE2-N 3.15Å; H164-D190 IonicContact CE1-OD2 3.84Å; H164-T191 HydrophobicContact CB-CG2 3.5Å; H164-T191 VanDerWaalsContact CB-CG2 3.5Å; H164-T191 PolarHBondContact ND1-OG1 2.97Å; H164-F225 WeakPolarHBondContact NE2-CB 3.43Å; H164-A226 CarbonylContact C-O 3.46Å; H164-A226 WeakPolarHBondContact CA-O 3.3Å; H164-I227 HydrophobicContact CB-CG2 4.12Å
165N90.2Very high83.8Confident4 Ų436.6 Ų36.62%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-118.2111.5167.2-79.1-0.4000108.8V3 S5 I7 H112 F225 A226 S245 S317V3-N165 HydrophobicContact CG1-CB 4.36Å; S5-N165 WeakPolarHBondContact CB-OD1 3.42Å; S5-N165 PolarHBondContact O-ND2 2.86Å; I7-N165 HydrophobicContact CD1-CB 3.88Å; I7-N165 HydrophobicContact CG1-CB 4.45Å; H112-N165 PolarHBondContact NE2-OD1 2.77Å; N165-F225 CarbonylContact O-C 3.48Å; N165-F225 VanDerWaalsContact O-CA 3.27Å; N165-F225 WeakPolarHBondContact O-CA 3.25Å; N165-A226 HydrophobicContact CB-CB 4.32Å; N165-A226 PolarHBondContact N-O 3.28Å; N165-A226 PolarHBondContact O-N 3.5Å; N165-S245 PolarHBondContact O-OG 3.38Å; N165-S317 WeakPolarHBondContact ND2-CB 3.44Å; N165-S317 PolarHBondContact ND2-OG 3.01Å
166G86.9Confident86.6Confident3 Ų337.3 Ų37.33%0.03118%0.184CC..EExtended strand (participates in β ladder)trans150-166.2179.200000112.1V3 H164 A224V3-G166 VanDerWaalsContact CG1-N 3.31Å; V3-G166 VanDerWaalsContact CG2-O 3.26Å; V3-G166 WeakPolarHBondContact CG2-O 3.47Å; H164-G166 PolarHBondContact CE1-O 2.98Å; H164-G166 VanDerWaalsContact CE1-O 3.28Å; H164-G166 WeakPolarHBondContact NE2-CA 3.18Å; H164-G166 PolarHBondContact NE2-N 3.15Å; G166-A224 CarbonylContact C-O 3.49Å; G166-A224 WeakPolarHBondContact CA-O 3.41Å
167I87.2Confident89Confident30 Ų3033.6 Ų33.615%0.15417%0.166CC..EExtended strand (participates in β ladder)trans-131.2128.8173.2-63.7177.5000108V3 T169 D190 G223 A224 V741V3-I167 HydrophobicContact CG2-CD1 4.43Å; V3-I167 HydrophobicContact CG2-CG1 3.86Å; I167-T169 HydrophobicContact CG2-CG2 4.43Å; I167-D190 WeakPolarHBondContact CA-OD2 3.46Å; I167-G223 WeakPolarHBondContact O-CA 3.12Å; I167-A224 PolarHBondContact N-O 3.22Å; I167-A224 PolarHBondContact O-N 2.71Å; I167-A224 VanDerWaalsContact O-N 3.16Å; I167-V741 HydrophobicContact CD1-CB 4.31Å; I167-V741 HydrophobicContact CD1-CG2 3.52Å; I167-V741 HydrophobicContact CG1-CG2 4Å
168I90.7Very high90.8Very high0 Ų032 Ų320%016%0.156CC..EExtended strand (participates in β ladder)trans-90.7109168.9-51.7-42.2000108.6N170 Y171 D190 M194 I221 E222 F225I168-N170 WeakPolarHBondContact CG2-OD1 3.3Å; I168-Y171 WeakPolarHBondContact O-CD1 3.29Å; I168-D190 HydrophobicContact CB-CB 4.19Å; I168-D190 PolarHBondContact N-OD2 3.39Å; I168-M194 HydrophobicContact CD1-SD 3.9Å; I168-M194 HydrophobicContact CG1-CG 4.32Å; I168-M194 HydrophobicContact CG1-SD 3.95Å; I168-I221 HydrophobicContact CD1-CG2 3.54Å; I168-I221 HydrophobicContact CG1-CG2 4.29Å; I168-I221 HydrophobicContact CG2-CD1 3.82Å; I168-I221 HydrophobicContact CG2-CG2 4.02Å; I168-E222 CarbonylContact C-O 3.55Å; I168-E222 WeakPolarHBondContact CA-O 3.47Å; I168-F225 HydrophobicContact CD1-CB 4Å; I168-F225 HydrophobicContact CD1-CD1 4.15Å; I168-F225 HydrophobicContact CD1-CG 4.42Å
169T89.6Confident92.2Very high88 Ų8835.7 Ų35.754%0.5418%0.175SC..THydrogen-bonded Turntrans-74.5-32.5-170.950.40000112.7I167 E222 G223I167-T169 HydrophobicContact CG2-CG2 4.43Å; T169-E222 PolarHBondContact N-O 3.42Å; T169-E222 VanDerWaalsContact OG1-C 3.26Å; T169-E222 WeakPolarHBondContact OG1-CB 3.32Å; T169-E222 PolarHBondContact OG1-O 2.89Å; T169-G223 PolarHBondContact OG1-N 2.88Å
170N93.5Very high92.9Very high16 Ų1639.3 Ų39.39%0.08619%0.19CC..THydrogen-bonded Turntrans-96.920.3179.871.4-22.1000113.6I168 K172 D173 I174 H220 E222I168-N170 WeakPolarHBondContact CG2-OD1 3.3Å; N170-K172 PolarHBondContact O-N 3.11Å; N170-K172 VanDerWaalsContact O-N 3.11Å; N170-D173 PolarHBondContact O-N 2.85Å; N170-D173 VanDerWaalsContact O-N 3.16Å; N170-I174 PolarHBondContact O-N 3.13Å; N170-H220 PolarHBondContact ND2-O 3.4Å; N170-E222 HydrophobicContact CB-CB 4.09Å; N170-E222 HydrophobicContact CB-CG 4.33Å; N170-E222 PolarHBondContact OD1-N 3.22Å
171Y93.1Very high92.9Very high48 Ų4845 Ų4519%0.18822%0.215CC..Hα-helixtrans-58.3-30-175.781.7-80.6000113.3I168 K175 D190 V193I168-Y171 WeakPolarHBondContact O-CD1 3.29Å; Y171-K175 WeakPolarHBondContact O-CB 3.49Å; Y171-K175 PolarHBondContact O-N 3.28Å; Y171-D190 HydrophobicContact CD1-CB 4.19Å; Y171-D190 HydrophobicContact CD2-CB 4.23Å; Y171-D190 HydrophobicContact CG-CB 3.82Å; Y171-V193 HydrophobicContact CD2-CG1 4.5Å
172K93.5Very high92.7Very high138 Ų13847.9 Ų47.960%0.625%0.245SC*.Hα-helixtrans-64.6-42.1179.9-67.4-177.6-177.4171.70112N170 K175 H176N170-K172 PolarHBondContact O-N 3.11Å; N170-K172 VanDerWaalsContact O-N 3.11Å; K172-K175 PolarHBondContact O-N 3.27Å; K172-H176 WeakPolarHBondContact O-CB 3.44Å; K172-H176 PolarHBondContact O-N 2.86Å
173D94.4Very high92.5Very high108 Ų10849 Ų4958%0.57825%0.25SC*.Hα-helixtrans-69.1-43.7-178.4-56.3-47000110.6N170 H176 Y177N170-D173 PolarHBondContact O-N 2.85Å; N170-D173 VanDerWaalsContact O-N 3.16Å; D173-H176 PolarHBondContact O-N 3.3Å; D173-Y177 PolarHBondContact O-N 3.41Å
174I94.9Very high92.3Very high4 Ų454.9 Ų54.92%0.02128%0.277CS..Hα-helixtrans-64-43.3176.1-56.1174000110.7N170 H176 Y177 L178 V193 L197 H220 I221N170-I174 PolarHBondContact O-N 3.13Å; I174-H176 VanDerWaalsContact C-N 3.35Å; I174-H176 PolarHBondContact O-N 2.89Å; I174-Y177 PolarHBondContact O-N 2.8Å; I174-L178 HydrophobicContact CG2-CD1 3.83Å; I174-L178 HydrophobicContact CG2-CG 4.39Å; I174-L178 WeakPolarHBondContact O-CB 3.3Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 3.1Å; I174-V193 HydrophobicContact CB-CB 4.27Å; I174-V193 HydrophobicContact CB-CG2 4.22Å; I174-V193 HydrophobicContact CD1-CG2 4.24Å; I174-V193 HydrophobicContact CG2-CB 3.93Å; I174-V193 HydrophobicContact CG2-CG2 4.07Å; I174-L197 HydrophobicContact CG2-CD2 4.15Å; I174-H220 WeakPolarHBondContact CD1-O 3.48Å; I174-I221 HydrophobicContact CD1-CD1 3.46Å; I174-I221 VanDerWaalsContact CD1-CD1 3.46Å; I174-I221 HydrophobicContact CD1-CG1 4.43Å
175K95Very high92.2Very high53 Ų5356.4 Ų56.423%0.2328%0.283CS..Hα-helixtrans-59.9-45.3176.2-174.9167.2-174.4165.90111.2Y171 K172 L178 L179 F185 V193Y171-K175 WeakPolarHBondContact O-CB 3.49Å; Y171-K175 PolarHBondContact O-N 3.28Å; K172-K175 PolarHBondContact O-N 3.27Å; K175-L178 PolarHBondContact O-N 3.43Å; K175-L179 HydrophobicContact CG-CD1 4.06Å; K175-L179 HydrophobicContact CG-CG 4.47Å; K175-L179 WeakPolarHBondContact O-CB 3.41Å; K175-L179 VanDerWaalsContact O-CG 3.24Å; K175-L179 WeakPolarHBondContact O-CG 3.29Å; K175-L179 PolarHBondContact O-N 2.93Å; K175-F185 HydrophobicContact CB-CE2 4.48Å; K175-F185 HydrophobicContact CB-CZ 4.19Å; K175-F185 HydrophobicContact CD-CD1 4.2Å; K175-F185 HydrophobicContact CD-CE1 4.43Å; K175-F185 HydrophobicContact CD-CG 4.25Å; K175-F185 HydrophobicContact CG-CD1 4.19Å; K175-F185 HydrophobicContact CG-CD2 3.93Å; K175-F185 HydrophobicContact CG-CE1 4.06Å; K175-F185 HydrophobicContact CG-CE2 3.78Å; K175-F185 HydrophobicContact CG-CG 4.13Å; K175-F185 HydrophobicContact CG-CZ 3.84Å; K175-V193 HydrophobicContact CB-CG1 3.95Å
176H95.3Very high92.1Very high107 Ų10759.1 Ų59.150%0.49530%0.295SS..Hα-helixtrans-61.7-44.1177.2-172.762.6000112.4K172 D173 I174 L179 K180K172-H176 WeakPolarHBondContact O-CB 3.44Å; K172-H176 PolarHBondContact O-N 2.86Å; D173-H176 PolarHBondContact O-N 3.3Å; I174-H176 VanDerWaalsContact C-N 3.35Å; I174-H176 PolarHBondContact O-N 2.89Å; H176-L179 PolarHBondContact O-N 2.87Å; H176-K180 WeakPolarHBondContact NE2-CE 3.35Å; H176-K180 PolarHBondContact NE2-NZ 3.43Å; H176-K180 WeakPolarHBondContact O-CG 3.47Å; H176-K180 PolarHBondContact O-N 3.16Å
177Y95.2Very high92.1Very high28 Ų2859 Ų5911%0.1129%0.294CS..Hα-helixtrans-59.8-48.1174.7171.6-97.2000112.1D173 I174 K180 K181 H200 L276D173-Y177 PolarHBondContact O-N 3.41Å; I174-Y177 PolarHBondContact O-N 2.8Å; Y177-K180 WeakPolarHBondContact O-CB 3.39Å; Y177-K180 PolarHBondContact O-N 3.37Å; Y177-K181 HydrophobicContact CE1-CG 4.12Å; Y177-K181 HydrophobicContact CE2-CG 4.4Å; Y177-K181 PolarHBondContact O-N 3.41Å; Y177-K181 VanDerWaalsContact OH-CE 3.3Å; Y177-K181 WeakPolarHBondContact OH-CE 3.41Å; Y177-H200 AromaticContact CE1-CD2 3.79Å; Y177-H200 AromaticContact CE1-NE2 3.65Å; Y177-H200 AromaticContact CZ-NE2 3.71Å; Y177-H200 PolarHBondContact OH-NE2 3.05Å; Y177-L276 HydrophobicContact CD1-CD2 3.86Å; Y177-L276 HydrophobicContact CD2-CD2 3.45Å; Y177-L276 VanDerWaalsContact CD2-CD2 3.45Å; Y177-L276 HydrophobicContact CE1-CD2 4.22Å; Y177-L276 HydrophobicContact CE2-CD2 3.83Å; Y177-L276 HydrophobicContact CG-CD2 3.47Å; Y177-L276 VanDerWaalsContact CG-CD2 3.47Å
178L94.4Very high92.1Very high0 Ų061.9 Ų61.90%031%0.31CS..Hα-helixtrans-67.3-37.3-178.8-72.2170000112.5I174 K175 K180 K181 G182 Y183 F185 K196 L197 H200I174-L178 HydrophobicContact CG2-CD1 3.83Å; I174-L178 HydrophobicContact CG2-CG 4.39Å; I174-L178 WeakPolarHBondContact O-CB 3.3Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 3.1Å; K175-L178 PolarHBondContact O-N 3.43Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 2.65Å; L178-K181 CarbonylContact O-C 3.55Å; L178-K181 PolarHBondContact O-N 2.99Å; L178-K181 VanDerWaalsContact O-N 3.08Å; L178-G182 PolarHBondContact O-N 3.48Å; L178-Y183 HydrophobicContact CB-CD2 4.42Å; L178-Y183 HydrophobicContact CD2-CD2 3.96Å; L178-Y183 HydrophobicContact CD2-CE2 4.3Å; L178-Y183 HydrophobicContact CD2-CG 4.38Å; L178-Y183 WeakPolarHBondContact O-CB 3.38Å; L178-Y183 WeakPolarHBondContact O-CD2 3.43Å; L178-Y183 PolarHBondContact O-N 2.99Å; L178-Y183 VanDerWaalsContact O-N 3.09Å; L178-F185 HydrophobicContact CB-CE2 3.81Å; L178-F185 HydrophobicContact CB-CZ 3.88Å; L178-F185 HydrophobicContact CD1-CZ 3.78Å; L178-K196 HydrophobicContact CD1-CB 3.73Å; L178-L197 HydrophobicContact CD1-CB 4.22Å; L178-L197 HydrophobicContact CD2-CD1 4.15Å; L178-H200 HydrophobicContact CD2-CB 3.86Å
179L93.9Very high92Very high86 Ų8662 Ų6245%0.4531%0.31SS..Hα-helixtrans-58.6-42.4172.7-76167.3000111.4K175 H176 K181 G182 F185K175-L179 HydrophobicContact CG-CD1 4.06Å; K175-L179 HydrophobicContact CG-CG 4.47Å; K175-L179 WeakPolarHBondContact O-CB 3.41Å; K175-L179 VanDerWaalsContact O-CG 3.24Å; K175-L179 WeakPolarHBondContact O-CG 3.29Å; K175-L179 PolarHBondContact O-N 2.93Å; H176-L179 PolarHBondContact O-N 2.87Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.24Å; L179-G182 PolarHBondContact O-N 3.27Å; L179-G182 VanDerWaalsContact O-N 3.09Å; L179-F185 HydrophobicContact CD2-CD2 3.87Å; L179-F185 HydrophobicContact CD2-CE2 4.41Å; L179-F185 HydrophobicContact CG-CD2 4Å; L179-F185 HydrophobicContact CG-CE2 4.12Å
180K94.7Very high92.1Very high108 Ų10857.9 Ų57.947%0.4729%0.285SS..Hα-helixtrans-65.3-27.4175.5-71.8178.3179.2176.60113.5H176 Y177 L178 E278H176-K180 WeakPolarHBondContact NE2-CE 3.35Å; H176-K180 PolarHBondContact NE2-NZ 3.43Å; H176-K180 WeakPolarHBondContact O-CG 3.47Å; H176-K180 PolarHBondContact O-N 3.16Å; Y177-K180 WeakPolarHBondContact O-CB 3.39Å; Y177-K180 PolarHBondContact O-N 3.37Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 2.65Å; K180-E278 IonicContact NZ-OE1 2.65Å; K180-E278 PolarHBondContact NZ-OE1 2.97Å
181K91.5Very high92.1Very high119 Ų11957.1 Ų57.152%0.51728%0.281SS..THydrogen-bonded Turntrans-83.83.3174.9-62.7-62.8-175.7-178.80113.3Y177 L178 L179 Y183Y177-K181 HydrophobicContact CE1-CG 4.12Å; Y177-K181 HydrophobicContact CE2-CG 4.4Å; Y177-K181 PolarHBondContact O-N 3.41Å; Y177-K181 VanDerWaalsContact OH-CE 3.3Å; Y177-K181 WeakPolarHBondContact OH-CE 3.41Å; L178-K181 CarbonylContact O-C 3.55Å; L178-K181 PolarHBondContact O-N 2.99Å; L178-K181 VanDerWaalsContact O-N 3.08Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.24Å; K181-Y183 HydrophobicContact CB-CD2 3.95Å; K181-Y183 HydrophobicContact CB-CE2 4.02Å
182G91.3Very high92.1Very high62 Ų6255 Ų5564%0.63927%0.273SS*.THydrogen-bonded Turntrans89.711175.300000115.2L178 L179L178-G182 PolarHBondContact O-N 3.48Å; L179-G182 PolarHBondContact O-N 3.27Å; L179-G182 VanDerWaalsContact O-N 3.09Å
183Y90.6Very high92.2Very high25 Ų2548.4 Ų48.410%0.09824%0.244CC..  trans-79.1140.1174.8-69.2-93.8000111L178 K181 K196 M199 H200 N203L178-Y183 HydrophobicContact CB-CD2 4.42Å; L178-Y183 HydrophobicContact CD2-CD2 3.96Å; L178-Y183 HydrophobicContact CD2-CE2 4.3Å; L178-Y183 HydrophobicContact CD2-CG 4.38Å; L178-Y183 WeakPolarHBondContact O-CB 3.38Å; L178-Y183 WeakPolarHBondContact O-CD2 3.43Å; L178-Y183 PolarHBondContact O-N 2.99Å; L178-Y183 VanDerWaalsContact O-N 3.09Å; K181-Y183 HydrophobicContact CB-CD2 3.95Å; K181-Y183 HydrophobicContact CB-CE2 4.02Å; Y183-K196 HydrophobicContact CD1-CD 4.14Å; Y183-M199 HydrophobicContact CE1-CB 4.17Å; Y183-M199 HydrophobicContact CE1-CG 3.98Å; Y183-H200 HydrophobicContact CE1-CB 4.48Å; Y183-H200 HydrophobicContact CE2-CB 3.87Å; Y183-H200 AromaticContact CE2-ND1 3.62Å; Y183-H200 VanDerWaalsContact OH-CA 3.22Å; Y183-H200 WeakPolarHBondContact OH-CA 3.34Å; Y183-N203 PolarHBondContact OH-ND2 3.33Å
184E90.6Very high92.2Very high122 Ų12243.3 Ų43.357%0.5722%0.217SC*.  trans-98.7144.7174.2-64.3-171.9173.800111.3D133 K196D133-E184 PolarHBondContact OD1-N 2.74Å; E184-K196 WeakPolarHBondContact O-CE 3.4Å; E184-K196 PolarHBondContact O-NZ 2.86Å; E184-K196 VanDerWaalsContact O-NZ 3.13Å
185F90.9Very high92.2Very high35 Ų3543.1 Ų43.115%0.15422%0.216CC..  trans-114.4137.9176.9-74.9-96.4000110.6K175 L178 L179 E192 V193 K196K175-F185 HydrophobicContact CB-CE2 4.48Å; K175-F185 HydrophobicContact CB-CZ 4.19Å; K175-F185 HydrophobicContact CD-CD1 4.2Å; K175-F185 HydrophobicContact CD-CE1 4.43Å; K175-F185 HydrophobicContact CD-CG 4.25Å; K175-F185 HydrophobicContact CG-CD1 4.19Å; K175-F185 HydrophobicContact CG-CD2 3.93Å; K175-F185 HydrophobicContact CG-CE1 4.06Å; K175-F185 HydrophobicContact CG-CE2 3.78Å; K175-F185 HydrophobicContact CG-CG 4.13Å; K175-F185 HydrophobicContact CG-CZ 3.84Å; L178-F185 HydrophobicContact CB-CE2 3.81Å; L178-F185 HydrophobicContact CB-CZ 3.88Å; L178-F185 HydrophobicContact CD1-CZ 3.78Å; L179-F185 HydrophobicContact CD2-CD2 3.87Å; L179-F185 HydrophobicContact CD2-CE2 4.41Å; L179-F185 HydrophobicContact CG-CD2 4Å; L179-F185 HydrophobicContact CG-CE2 4.12Å; F185-E192 HydrophobicContact CD1-CB 4.23Å; F185-E192 HydrophobicContact CD1-CG 3.79Å; F185-E192 HydrophobicContact CE1-CB 4.45Å; F185-E192 HydrophobicContact CE1-CG 4.16Å; F185-V193 HydrophobicContact CE1-CB 4.23Å; F185-V193 HydrophobicContact CE1-CG1 3.77Å; F185-V193 HydrophobicContact CZ-CG1 4.3Å; F185-K196 HydrophobicContact CE1-CB 4.43Å; F185-K196 HydrophobicContact CE1-CG 4.05Å; F185-K196 HydrophobicContact CZ-CB 4.26Å; F185-K196 HydrophobicContact CZ-CG 4.22Å
186K86.8Confident92.2Very high61 Ų6140.6 Ų40.627%0.26521%0.205SC..  trans-114-32-176.9-64.2172.5-173.5157.40113.1V124 S132 D133 E134 E192V124-K186 HydrophobicContact CG1-CB 4.11Å; V124-K186 WeakPolarHBondContact CG1-O 3.42Å; S132-K186 PolarHBondContact O-NZ 3.34Å; D133-K186 WeakPolarHBondContact O-CE 3.47Å; D133-K186 PolarHBondContact O-NZ 3.26Å; E134-K186 PolarHBondContact O-NZ 3.22Å; K186-E192 PolarHBondContact N-OE1 3.16Å; K186-E192 PolarHBondContact N-OE2 3.31Å
187S87.3Confident92.2Very high2 Ų235.7 Ų35.71%0.01418%0.182CC..  trans-96.5159.3-177.386.10000110.9N125 T189 E192N125-S187 WeakPolarHBondContact OD1-CA 3.28Å; N125-S187 WeakPolarHBondContact OD1-CB 3.26Å; S187-T189 PolarHBondContact OG-N 2.96Å; S187-T189 VanDerWaalsContact OG-N 3.15Å; S187-T189 PolarHBondContact OG-OG1 2.96Å; S187-E192 VanDerWaalsContact CA-OE2 3.32Å; S187-E192 WeakPolarHBondContact CA-OE2 3.44Å; S187-E192 VanDerWaalsContact CB-OE2 3.24Å; S187-E192 WeakPolarHBondContact CB-OE2 3.37Å; S187-E192 PolarHBondContact N-OE2 3.08Å; S187-E192 VanDerWaalsContact OG-CB 3.29Å; S187-E192 WeakPolarHBondContact OG-CB 3.42Å; S187-E192 PolarHBondContact OG-OE2 2.84Å
188D87.2Confident92.2Very high89 Ų8934.4 Ų34.448%0.47618%0.177SC..SBendtrans-909.7169.4-58.4-46.4000111.2H118 P120 N125H118-D188 WeakPolarHBondContact CB-O 3.45Å; P120-D188 WeakPolarHBondContact CD-OD2 3.41Å; N125-D188 PolarHBondContact OD1-N 3.3Å
189T88.9Confident92.1Very high2 Ų235.5 Ų35.51%0.01218%0.183CC..  trans-85.6140-175.372.80000111.2N125 Q129 S187 T191 E192N125-T189 HydrophobicContact CB-CG2 3.66Å; N125-T189 WeakPolarHBondContact O-CG2 3.43Å; Q129-T189 PolarHBondContact NE2-OG1 3.36Å; S187-T189 PolarHBondContact OG-N 2.96Å; S187-T189 VanDerWaalsContact OG-N 3.15Å; S187-T189 PolarHBondContact OG-OG1 2.96Å; T189-T191 PolarHBondContact O-N 3.09Å; T189-E192 PolarHBondContact O-N 3.34Å; T189-E192 PolarHBondContact OG1-N 3.48Å
190D91.6Very high92.1Very high2 Ų232.3 Ų32.31%0.01117%0.165CC..THydrogen-bonded Turntrans-60.2-33166.458.5-40.8000111.4H118 H164 I167 I168 Y171 E192 V193H118-D190 IonicContact ND1-OD1 2.89Å; H164-D190 IonicContact CE1-OD2 3.84Å; I167-D190 WeakPolarHBondContact CA-OD2 3.46Å; I168-D190 HydrophobicContact CB-CB 4.19Å; I168-D190 PolarHBondContact N-OD2 3.39Å; Y171-D190 HydrophobicContact CD1-CB 4.19Å; Y171-D190 HydrophobicContact CD2-CB 4.23Å; Y171-D190 HydrophobicContact CG-CB 3.82Å; D190-E192 VanDerWaalsContact C-N 3.31Å; D190-E192 PolarHBondContact O-N 3.41Å; D190-V193 WeakPolarHBondContact O-CG2 3.33Å; D190-V193 PolarHBondContact O-N 3.17Å
191T93Very high92Very high0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-56.7-35.2176.9-50.50000114.7H127 Q129 I162 H164 T189 V193 M194H127-T191 PolarHBondContact CE1-OG1 3.31Å; H127-T191 PolarHBondContact NE2-OG1 3.38Å; Q129-T191 HydrophobicContact CB-CG2 4.02Å; Q129-T191 HydrophobicContact CG-CG2 3.79Å; I162-T191 HydrophobicContact CG2-CG2 3.69Å; H164-T191 HydrophobicContact CB-CG2 3.5Å; H164-T191 VanDerWaalsContact CB-CG2 3.5Å; H164-T191 PolarHBondContact ND1-OG1 2.97Å; T189-T191 PolarHBondContact O-N 3.09Å; T191-V193 PolarHBondContact O-N 3.13Å; T191-M194 WeakPolarHBondContact O-CB 3.49Å; T191-M194 PolarHBondContact O-N 3.49Å; T191-M194 VanDerWaalsContact O-N 3.14Å
192E94.3Very high92.1Very high3 Ų323.5 Ų23.51%0.01413%0.126CC..Hα-helixtrans-63.5-27.7-175.6-173.6178.4-163.400112.4F185 K186 S187 T189 D190 M194 V195 K196F185-E192 HydrophobicContact CD1-CB 4.23Å; F185-E192 HydrophobicContact CD1-CG 3.79Å; F185-E192 HydrophobicContact CE1-CB 4.45Å; F185-E192 HydrophobicContact CE1-CG 4.16Å; K186-E192 PolarHBondContact N-OE1 3.16Å; K186-E192 PolarHBondContact N-OE2 3.31Å; S187-E192 VanDerWaalsContact CA-OE2 3.32Å; S187-E192 WeakPolarHBondContact CA-OE2 3.44Å; S187-E192 VanDerWaalsContact CB-OE2 3.24Å; S187-E192 WeakPolarHBondContact CB-OE2 3.37Å; S187-E192 PolarHBondContact N-OE2 3.08Å; S187-E192 VanDerWaalsContact OG-CB 3.29Å; S187-E192 WeakPolarHBondContact OG-CB 3.42Å; S187-E192 PolarHBondContact OG-OE2 2.84Å; T189-E192 PolarHBondContact O-N 3.34Å; T189-E192 PolarHBondContact OG1-N 3.48Å; D190-E192 VanDerWaalsContact C-N 3.31Å; D190-E192 PolarHBondContact O-N 3.41Å; E192-M194 PolarHBondContact O-N 2.98Å; E192-V195 HydrophobicContact CG-CG1 4.48Å; E192-V195 WeakPolarHBondContact O-CG1 3.18Å; E192-V195 PolarHBondContact O-N 3.34Å; E192-K196 HydrophobicContact CG-CG 4.1Å; E192-K196 WeakPolarHBondContact O-CB 3.38Å; E192-K196 VanDerWaalsContact O-CG 3.24Å; E192-K196 WeakPolarHBondContact O-CG 3.4Å; E192-K196 PolarHBondContact O-N 3.24Å; E192-K196 VanDerWaalsContact O-N 3.11Å
193V95.1Very high92Very high0 Ų024.5 Ų24.50%012%0.117CC..Hα-helixtrans-63.4-33.9177.9-44.80000111.5Y171 I174 K175 F185 D190 T191 L197 I221Y171-V193 HydrophobicContact CD2-CG1 4.5Å; I174-V193 HydrophobicContact CB-CB 4.27Å; I174-V193 HydrophobicContact CB-CG2 4.22Å; I174-V193 HydrophobicContact CD1-CG2 4.24Å; I174-V193 HydrophobicContact CG2-CB 3.93Å; I174-V193 HydrophobicContact CG2-CG2 4.07Å; K175-V193 HydrophobicContact CB-CG1 3.95Å; F185-V193 HydrophobicContact CE1-CB 4.23Å; F185-V193 HydrophobicContact CE1-CG1 3.77Å; F185-V193 HydrophobicContact CZ-CG1 4.3Å; D190-V193 WeakPolarHBondContact O-CG2 3.33Å; D190-V193 PolarHBondContact O-N 3.17Å; T191-V193 PolarHBondContact O-N 3.13Å; V193-L197 WeakPolarHBondContact O-CB 3.28Å; V193-L197 PolarHBondContact O-N 3.3Å; V193-I221 HydrophobicContact CG2-CD1 4.39Å
194M94.9Very high92Very high1 Ų126.8 Ų26.81%0.00513%0.134CC..Hα-helixtrans-67.7-46-180-60.9-176.975.300111.6I162 I168 T191 E192 L197 M198 V217 L218 I221 I227I162-M194 HydrophobicContact CD1-CB 3.98Å; I162-M194 HydrophobicContact CD1-CE 4.06Å; I162-M194 HydrophobicContact CD1-SD 4.08Å; I168-M194 HydrophobicContact CD1-SD 3.9Å; I168-M194 HydrophobicContact CG1-CG 4.32Å; I168-M194 HydrophobicContact CG1-SD 3.95Å; T191-M194 WeakPolarHBondContact O-CB 3.49Å; T191-M194 PolarHBondContact O-N 3.49Å; T191-M194 VanDerWaalsContact O-N 3.14Å; E192-M194 PolarHBondContact O-N 2.98Å; M194-L197 PolarHBondContact O-N 2.94Å; M194-M198 WeakPolarHBondContact O-CG 3.32Å; M194-M198 PolarHBondContact O-N 3.41Å; M194-V217 HydrophobicContact CB-CG1 4.35Å; M194-V217 HydrophobicContact CE-CG1 4.31Å; M194-L218 HydrophobicContact CE-CD2 4.12Å; M194-I221 HydrophobicContact CE-CG1 4.28Å; M194-I221 HydrophobicContact CG-CD1 3.66Å; M194-I221 HydrophobicContact CG-CG1 4.37Å; M194-I227 HydrophobicContact CE-CD1 3.8Å; M194-I227 HydrophobicContact CE-CG2 3.82Å; M194-I227 HydrophobicContact SD-CG2 4.17Å
195V94.6Very high92Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-72.1-33.5-177.173.50000112Q129 T130 S131 F160 I162 E192 M198 M199Q129-V195 HydrophobicContact CB-CG1 4.2Å; T130-V195 VanDerWaalsContact O-CG1 3.3Å; T130-V195 WeakPolarHBondContact O-CG1 3.08Å; S131-V195 VanDerWaalsContact N-CG2 3.33Å; F160-V195 HydrophobicContact CB-CG2 3.78Å; F160-V195 VanDerWaalsContact O-CG2 3.27Å; F160-V195 WeakPolarHBondContact O-CG2 3.48Å; I162-V195 HydrophobicContact CG2-CB 3.79Å; I162-V195 HydrophobicContact CG2-CG1 4.48Å; I162-V195 HydrophobicContact CG2-CG2 4.27Å; E192-V195 HydrophobicContact CG-CG1 4.48Å; E192-V195 WeakPolarHBondContact O-CG1 3.18Å; E192-V195 PolarHBondContact O-N 3.34Å; V195-M198 HydrophobicContact CB-CE 4.04Å; V195-M198 HydrophobicContact CG2-CE 3.91Å; V195-M199 PolarHBondContact O-N 2.89Å
196K94.6Very high91.8Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-69-38.1171.2-64.9-71.6178.2177.30111.5S131 S132 D133 L178 Y183 E184 F185 E192 M199 H200S131-K196 WeakPolarHBondContact O-CE 3.33Å; S131-K196 PolarHBondContact O-NZ 3.38Å; S132-K196 PolarHBondContact O-NZ 2.97Å; S132-K196 VanDerWaalsContact O-NZ 3.08Å; D133-K196 IonicContact OD1-NZ 3.46Å; D133-K196 PolarHBondContact OD1-NZ 3Å; L178-K196 HydrophobicContact CD1-CB 3.73Å; Y183-K196 HydrophobicContact CD1-CD 4.14Å; E184-K196 WeakPolarHBondContact O-CE 3.4Å; E184-K196 PolarHBondContact O-NZ 2.86Å; E184-K196 VanDerWaalsContact O-NZ 3.13Å; F185-K196 HydrophobicContact CE1-CB 4.43Å; F185-K196 HydrophobicContact CE1-CG 4.05Å; F185-K196 HydrophobicContact CZ-CB 4.26Å; F185-K196 HydrophobicContact CZ-CG 4.22Å; E192-K196 HydrophobicContact CG-CG 4.1Å; E192-K196 WeakPolarHBondContact O-CB 3.38Å; E192-K196 VanDerWaalsContact O-CG 3.24Å; E192-K196 WeakPolarHBondContact O-CG 3.4Å; E192-K196 PolarHBondContact O-N 3.24Å; E192-K196 VanDerWaalsContact O-N 3.11Å; K196-M199 WeakPolarHBondContact O-CB 3.47Å; K196-M199 PolarHBondContact O-N 3.03Å; K196-H200 PolarHBondContact O-N 2.87Å
197L94.8Very high91.9Very high5 Ų531.4 Ų31.43%0.02617%0.169CC..Hα-helixtrans-66.5-39.1175.3-169.159.5000112.2I174 L178 V193 M194 M199 H200 I201 V217 H220I174-L197 HydrophobicContact CG2-CD2 4.15Å; L178-L197 HydrophobicContact CD1-CB 4.22Å; L178-L197 HydrophobicContact CD2-CD1 4.15Å; V193-L197 WeakPolarHBondContact O-CB 3.28Å; V193-L197 PolarHBondContact O-N 3.3Å; M194-L197 PolarHBondContact O-N 2.94Å; L197-M199 VanDerWaalsContact C-N 3.3Å; L197-M199 PolarHBondContact O-N 3.41Å; L197-H200 PolarHBondContact O-N 3.26Å; L197-I201 HydrophobicContact CD1-CD1 4.38Å; L197-I201 HydrophobicContact CG-CD1 3.93Å; L197-I201 WeakPolarHBondContact O-CD1 3.33Å; L197-I201 WeakPolarHBondContact O-CG1 3.33Å; L197-I201 PolarHBondContact O-N 3.36Å; L197-V217 HydrophobicContact CB-CG2 4.19Å; L197-V217 HydrophobicContact CD2-CB 4.47Å; L197-V217 HydrophobicContact CD2-CG1 4.26Å; L197-V217 HydrophobicContact CD2-CG2 4.29Å; L197-V217 HydrophobicContact CG-CG2 4.03Å; L197-H220 HydrophobicContact CD2-CB 4.05Å
198M95Very high92.1Very high1 Ų132.6 Ų32.61%0.00517%0.174CC..Hα-helixtrans-55.6-46.4171.7-75-169.1-80.400111.4F160 I162 M194 V195 I201 Y202 I213 V214 V217 C229F160-M198 HydrophobicContact CB-CE 4.45Å; F160-M198 HydrophobicContact CD1-CB 4.31Å; F160-M198 HydrophobicContact CD1-SD 4.35Å; F160-M198 HydrophobicContact CG-CB 4.24Å; I162-M198 HydrophobicContact CB-CE 4.05Å; I162-M198 HydrophobicContact CD1-CE 4.01Å; I162-M198 HydrophobicContact CG1-CE 4.46Å; M194-M198 WeakPolarHBondContact O-CG 3.32Å; M194-M198 PolarHBondContact O-N 3.41Å; V195-M198 HydrophobicContact CB-CE 4.04Å; V195-M198 HydrophobicContact CG2-CE 3.91Å; M198-I201 PolarHBondContact O-N 3.26Å; M198-Y202 WeakPolarHBondContact O-CB 3.36Å; M198-Y202 PolarHBondContact O-N 2.88Å; M198-I213 HydrophobicContact CB-CG2 4.13Å; M198-I213 HydrophobicContact CG-CG2 4.25Å; M198-V214 HydrophobicContact SD-CG2 3.99Å; M198-V217 HydrophobicContact CB-CG2 4.28Å; M198-V217 HydrophobicContact CG-CB 4.48Å; M198-V217 HydrophobicContact CG-CG2 3.54Å; M198-C229 HydrophobicContact CE-CB 4.39Å; M198-C229 HydrophobicContact SD-CB 4.2Å
199M93.3Very high92.4Very high22 Ų2232.7 Ų32.711%0.10817%0.17CC..Hα-helixtrans-61.7-44.2177.6-170.765.3170.100112H159 F160 Y183 V195 K196 L197 I201 Y202 N203H159-M199 HydrophobicContact CB-CE 4.01Å; H159-M199 HydrophobicContact CB-SD 3.63Å; H159-M199 WeakPolarHBondContact CD2-CE 3.45Å; F160-M199 HydrophobicContact CD2-CB 4.43Å; F160-M199 HydrophobicContact CD2-SD 3.92Å; F160-M199 HydrophobicContact CE2-SD 4Å; Y183-M199 HydrophobicContact CE1-CB 4.17Å; Y183-M199 HydrophobicContact CE1-CG 3.98Å; V195-M199 PolarHBondContact O-N 2.89Å; K196-M199 WeakPolarHBondContact O-CB 3.47Å; K196-M199 PolarHBondContact O-N 3.03Å; L197-M199 VanDerWaalsContact C-N 3.3Å; L197-M199 PolarHBondContact O-N 3.41Å; M199-I201 PolarHBondContact O-N 3.45Å; M199-Y202 PolarHBondContact O-N 2.96Å; M199-N203 WeakPolarHBondContact O-CB 3.49Å; M199-N203 VanDerWaalsContact O-CG 3.23Å; M199-N203 PolarHBondContact O-N 3.11Å; M199-N203 PolarHBondContact O-ND2 3.43Å
200H93.1Very high92.7Very high19 Ų1932.6 Ų32.69%0.08817%0.17CC..Hα-helixtrans-60.8-43.6177-179.160.3000113Y177 L178 Y183 K196 L197 T204Y177-H200 AromaticContact CE1-CD2 3.79Å; Y177-H200 AromaticContact CE1-NE2 3.65Å; Y177-H200 AromaticContact CZ-NE2 3.71Å; Y177-H200 PolarHBondContact OH-NE2 3.05Å; L178-H200 HydrophobicContact CD2-CB 3.86Å; Y183-H200 HydrophobicContact CE1-CB 4.48Å; Y183-H200 HydrophobicContact CE2-CB 3.87Å; Y183-H200 AromaticContact CE2-ND1 3.62Å; Y183-H200 VanDerWaalsContact OH-CA 3.22Å; Y183-H200 WeakPolarHBondContact OH-CA 3.34Å; K196-H200 PolarHBondContact O-N 2.87Å; L197-H200 PolarHBondContact O-N 3.26Å; H200-T204 WeakPolarHBondContact O-CB 3.43Å; H200-T204 PolarHBondContact O-N 3.2Å; H200-T204 PolarHBondContact O-OG1 3.05Å
201I93.3Very high92.8Very high1 Ų134.6 Ų34.61%0.00518%0.177CC..Hα-helixtrans-66.6-44178.3-68.9157.1000110.7L197 M198 M199 T204 H205 M208 I213 H216 V217L197-I201 HydrophobicContact CD1-CD1 4.38Å; L197-I201 HydrophobicContact CG-CD1 3.93Å; L197-I201 WeakPolarHBondContact O-CD1 3.33Å; L197-I201 WeakPolarHBondContact O-CG1 3.33Å; L197-I201 PolarHBondContact O-N 3.36Å; M198-I201 PolarHBondContact O-N 3.26Å; M199-I201 PolarHBondContact O-N 3.45Å; I201-T204 PolarHBondContact O-N 2.79Å; I201-H205 PolarHBondContact O-N 3.39Å; I201-M208 HydrophobicContact CG2-SD 4.15Å; I201-I213 HydrophobicContact CB-CG2 4.28Å; I201-I213 HydrophobicContact CG2-CB 4.45Å; I201-I213 HydrophobicContact CG2-CG1 4.35Å; I201-I213 HydrophobicContact CG2-CG2 4.09Å; I201-H216 HydrophobicContact CD1-CB 4.05Å; I201-H216 HydrophobicContact CG2-CB 4.32Å; I201-V217 HydrophobicContact CD1-CB 4.42Å; I201-V217 HydrophobicContact CD1-CG2 3.45Å; I201-V217 VanDerWaalsContact CD1-CG2 3.45Å
202Y92.2Very high92.8Very high42 Ų4237.1 Ų37.117%0.16519%0.189CC..Hα-helixtrans-59.1-47.9176.5179-101.4000111.8F160 M198 M199 T204 H205 P206 I213 H233 F234F160-Y202 HydrophobicContact CE2-CD1 4.24Å; F160-Y202 AromaticContact CE2-CG 3.97Å; F160-Y202 HydrophobicContact CE2-CG 3.97Å; F160-Y202 HydrophobicContact CZ-CD1 4.48Å; F160-Y202 HydrophobicContact CZ-CD2 4.04Å; F160-Y202 AromaticContact CZ-CG 3.85Å; F160-Y202 HydrophobicContact CZ-CG 3.85Å; M198-Y202 WeakPolarHBondContact O-CB 3.36Å; M198-Y202 PolarHBondContact O-N 2.88Å; M199-Y202 PolarHBondContact O-N 2.96Å; Y202-T204 VanDerWaalsContact C-N 3.26Å; Y202-T204 PolarHBondContact O-N 3.48Å; Y202-H205 CarbonylContact O-C 3.28Å; Y202-H205 PolarHBondContact O-N 3.36Å; Y202-P206 WeakPolarHBondContact O-CA 3.46Å; Y202-P206 VanDerWaalsContact O-N 3.1Å; Y202-I213 HydrophobicContact CD2-CD1 3.73Å; Y202-I213 HydrophobicContact CG-CD1 4.45Å; Y202-H233 AromaticContact CD1-NE2 3.96Å; Y202-H233 AromaticContact CE1-CD2 3.53Å; Y202-H233 AromaticContact CE1-CE1 3.72Å; Y202-H233 AromaticContact CE1-NE2 3.35Å; Y202-H233 WeakPolarHBondContact CE1-NE2 3.37Å; Y202-H233 HydrophobicContact CE2-CB 4.21Å; Y202-H233 AromaticContact CZ-CD2 3.58Å; Y202-H233 AromaticContact CZ-CE1 3.9Å; Y202-H233 AromaticContact CZ-CG 3.62Å; Y202-H233 AromaticContact CZ-ND1 3.85Å; Y202-H233 AromaticContact CZ-NE2 3.79Å; Y202-H233 PolarHBondContact OH-ND1 3.01Å; Y202-F234 HydrophobicContact CD2-CE2 4.24Å; Y202-F234 HydrophobicContact CD2-CZ 4.3Å; Y202-F234 HydrophobicContact CE2-CE2 4.2Å; Y202-F234 HydrophobicContact CE2-CZ 4.09Å
203N90.4Very high92.9Very high83 Ų8337 Ų3744%0.44419%0.188SC..Hα-helixtrans-62.2-34.4178.3-71.9-19.8000112.6Y183 M199Y183-N203 PolarHBondContact OH-ND2 3.33Å; M199-N203 WeakPolarHBondContact O-CB 3.49Å; M199-N203 VanDerWaalsContact O-CG 3.23Å; M199-N203 PolarHBondContact O-N 3.11Å; M199-N203 PolarHBondContact O-ND2 3.43Å
204T90.6Very high92.9Very high73 Ų7337 Ų3745%0.44819%0.188SC..Hα-helixtrans-79.8-31.5178.9-49.70000111.8H200 I201 Y202H200-T204 WeakPolarHBondContact O-CB 3.43Å; H200-T204 PolarHBondContact O-N 3.2Å; H200-T204 PolarHBondContact O-OG1 3.05Å; I201-T204 PolarHBondContact O-N 2.79Å; Y202-T204 VanDerWaalsContact C-N 3.26Å; Y202-T204 PolarHBondContact O-N 3.48Å
205H90.7Very high92.8Very high74 Ų7437.2 Ų37.234%0.34319%0.189SC..  trans-135.874.6-177.2-54.293.9000112.2I201 Y202 N207 M208I201-H205 PolarHBondContact O-N 3.39Å; Y202-H205 CarbonylContact O-C 3.28Å; Y202-H205 PolarHBondContact O-N 3.36Å; H205-N207 PolarHBondContact O-N 3.21Å; H205-N207 VanDerWaalsContact O-N 3.08Å; H205-M208 HydrophobicContact CB-CE 3.57Å; H205-M208 HydrophobicContact CB-CG 3.79Å; H205-M208 HydrophobicContact CB-SD 3.69Å; H205-M208 VanDerWaalsContact CG-CE 3.49Å; H205-M208 PolarHBondContact O-N 3Å
206P86.5Confident92.7Very high76 Ų7638 Ų3849%0.49419%0.193SC..THydrogen-bonded Turntrans-62.7-21.8-172.7-25.335000115.2Y202 M208Y202-P206 WeakPolarHBondContact O-CA 3.46Å; Y202-P206 VanDerWaalsContact O-N 3.1Å; P206-M208 VanDerWaalsContact C-N 3.34Å
207N89.2Confident92.7Very high165 Ų16538.1 Ų38.188%0.88219%0.194SC*.THydrogen-bonded Turntrans-85.7-0.9-177.1-63.2-27.2000113.9H205H205-N207 PolarHBondContact O-N 3.21Å; H205-N207 VanDerWaalsContact O-N 3.08Å
208M91.1Very high92.7Very high27 Ų2738.3 Ų38.313%0.13320%0.195CC..SBendtrans-74.5140178.5-72.8-173.6-179.300111.3I201 H205 P206 Q212 I213 F234I201-M208 HydrophobicContact CG2-SD 4.15Å; H205-M208 HydrophobicContact CB-CE 3.57Å; H205-M208 HydrophobicContact CB-CG 3.79Å; H205-M208 HydrophobicContact CB-SD 3.69Å; H205-M208 VanDerWaalsContact CG-CE 3.49Å; H205-M208 PolarHBondContact O-N 3Å; P206-M208 VanDerWaalsContact C-N 3.34Å; M208-Q212 HydrophobicContact CB-CB 4.32Å; M208-I213 HydrophobicContact CB-CD1 4.4Å; M208-I213 HydrophobicContact CB-CG1 3.83Å; M208-F234 WeakPolarHBondContact O-CZ 3.42Å
209K93.2Very high92.5Very high90 Ų9042.3 Ų42.339%0.39121%0.21SC..  trans-67.1156.6170.3-63.6-164.2174.8-151.90111.1R211 Q212 I213 E341K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.63Å; K209-Q212 HydrophobicContact CB-CG 4.31Å; K209-Q212 WeakPolarHBondContact O-CB 3.28Å; K209-Q212 PolarHBondContact O-N 3.27Å; K209-I213 PolarHBondContact O-N 2.95Å; K209-E341 VanDerWaalsContact NZ-CD 3.34Å; K209-E341 IonicContact NZ-OE1 2.93Å; K209-E341 PolarHBondContact NZ-OE1 3.04Å; K209-E341 IonicContact NZ-OE2 3.45Å; K209-E341 PolarHBondContact NZ-OE2 3.36Å; K209-E341 VanDerWaalsContact NZ-OE2 3.15Å
210F94.8Very high92.5Very high0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-54.1-46.6-178.3-167-165.4000113F160 Q212 I213 V214 C229 F234 E237 V239F160-F210 AromaticContact CD1-CE2 3.91Å; F160-F210 HydrophobicContact CD1-CE2 3.91Å; F160-F210 HydrophobicContact CE1-CD2 4.14Å; F160-F210 AromaticContact CE1-CE2 3.87Å; F160-F210 HydrophobicContact CE1-CE2 3.87Å; F210-Q212 VanDerWaalsContact C-N 3.29Å; F210-Q212 PolarHBondContact O-N 3.27Å; F210-I213 WeakPolarHBondContact O-CB 3.26Å; F210-I213 PolarHBondContact O-N 3.33Å; F210-V214 HydrophobicContact CD2-CG2 4.16Å; F210-V214 HydrophobicContact CE2-CG2 3.96Å; F210-V214 PolarHBondContact O-N 3.16Å; F210-V214 VanDerWaalsContact O-N 3.13Å; F210-C229 HydrophobicContact CE2-CB 4.11Å; F210-C229 HydrophobicContact CZ-CB 3.6Å; F210-F234 HydrophobicContact CB-CB 3.96Å; F210-F234 HydrophobicContact CB-CD1 3.84Å; F210-F234 HydrophobicContact CB-CD2 3.62Å; F210-F234 HydrophobicContact CB-CE1 4.22Å; F210-F234 HydrophobicContact CB-CE2 4.02Å; F210-F234 HydrophobicContact CB-CG 3.53Å; F210-F234 HydrophobicContact CB-CZ 4.3Å; F210-F234 HydrophobicContact CD1-CB 3.9Å; F210-F234 HydrophobicContact CD1-CD2 4.29Å; F210-F234 HydrophobicContact CD1-CG 4.27Å; F210-F234 AromaticContact CD2-CD2 3.85Å; F210-F234 HydrophobicContact CD2-CD2 3.85Å; F210-F234 HydrophobicContact CD2-CE2 4.21Å; F210-F234 HydrophobicContact CG-CB 4.04Å; F210-F234 AromaticContact CG-CD2 3.66Å; F210-F234 HydrophobicContact CG-CD2 3.66Å; F210-F234 HydrophobicContact CG-CE2 4.28Å; F210-F234 AromaticContact CG-CG 3.89Å; F210-F234 HydrophobicContact CG-CG 3.89Å; F210-E237 WeakPolarHBondContact CB-OE2 3.4Å; F210-E237 HydrophobicContact CD1-CB 3.96Å; F210-V239 HydrophobicContact CB-CG2 4.13Å; F210-V239 HydrophobicContact CD1-CB 4.4Å; F210-V239 HydrophobicContact CD1-CG2 3.52Å; F210-V239 HydrophobicContact CD2-CG2 4.33Å; F210-V239 HydrophobicContact CE1-CB 4.34Å; F210-V239 HydrophobicContact CE1-CG2 3.93Å; F210-V239 HydrophobicContact CG-CG2 3.74Å; F210-V239 HydrophobicContact CZ-CG2 4.49Å
211R94.4Very high92.4Very high45 Ų4541.4 Ų41.417%0.1721%0.206CC..Hα-helixtrans-52.9-45174.7178.7-175.258.486.1-2.6112.7K209 I213 V214 E215 V239 V337 A339 H348K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.63Å; R211-I213 VanDerWaalsContact C-N 3.33Å; R211-I213 PolarHBondContact O-N 3.27Å; R211-V214 PolarHBondContact O-N 3.38Å; R211-E215 HydrophobicContact CG-CG 4.46Å; R211-E215 WeakPolarHBondContact CG-OE1 3.43Å; R211-E215 IonicContact CZ-OE1 2.68Å; R211-E215 VanDerWaalsContact NH1-CD 3.27Å; R211-E215 IonicContact NH1-OE1 3.08Å; R211-E215 PolarHBondContact NH1-OE1 3.33Å; R211-E215 IonicContact NH1-OE2 2.86Å; R211-E215 PolarHBondContact NH1-OE2 3.05Å; R211-E215 WeakPolarHBondContact O-CG 3.16Å; R211-E215 PolarHBondContact O-N 2.85Å; R211-V239 HydrophobicContact CB-CG2 4.43Å; R211-V337 HydrophobicContact CG-CG1 3.99Å; R211-A339 HydrophobicContact CB-CB 4Å; R211-A339 HydrophobicContact CG-CB 4.11Å; R211-H348 WeakPolarHBondContact CD-CD2 3.44Å; R211-H348 VanDerWaalsContact CD-CG 3.5Å; R211-H348 VanDerWaalsContact CD-NE2 3.31Å; R211-H348 WeakPolarHBondContact CD-NE2 2.99Å; R211-H348 PolarHBondContact NE-CE1 3.44Å; R211-H348 PolarHBondContact NE-NE2 3.09Å; R211-H348 PolarHBondContact NH1-ND1 3.28Å
212Q93.5Very high92.3Very high52 Ų5247 Ų4724%0.24323%0.232CC..Hα-helixtrans-68.1-35.6-176.3-64.4175.6-56.400111.7M208 K209 F210 E215 H216M208-Q212 HydrophobicContact CB-CB 4.32Å; K209-Q212 HydrophobicContact CB-CG 4.31Å; K209-Q212 WeakPolarHBondContact O-CB 3.28Å; K209-Q212 PolarHBondContact O-N 3.27Å; F210-Q212 VanDerWaalsContact C-N 3.29Å; F210-Q212 PolarHBondContact O-N 3.27Å; Q212-E215 PolarHBondContact O-N 3.31Å; Q212-H216 WeakPolarHBondContact O-CB 3.25Å; Q212-H216 PolarHBondContact O-N 3.48Å
213I95.2Very high92Very high0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-62.4-49174.9-63.2166.5000109.7F160 M198 I201 Y202 M208 K209 F210 R211 H216 V217 F234F160-I213 HydrophobicContact CZ-CD1 4.48Å; M198-I213 HydrophobicContact CB-CG2 4.13Å; M198-I213 HydrophobicContact CG-CG2 4.25Å; I201-I213 HydrophobicContact CB-CG2 4.28Å; I201-I213 HydrophobicContact CG2-CB 4.45Å; I201-I213 HydrophobicContact CG2-CG1 4.35Å; I201-I213 HydrophobicContact CG2-CG2 4.09Å; Y202-I213 HydrophobicContact CD2-CD1 3.73Å; Y202-I213 HydrophobicContact CG-CD1 4.45Å; M208-I213 HydrophobicContact CB-CD1 4.4Å; M208-I213 HydrophobicContact CB-CG1 3.83Å; K209-I213 PolarHBondContact O-N 2.95Å; F210-I213 WeakPolarHBondContact O-CB 3.26Å; F210-I213 PolarHBondContact O-N 3.33Å; R211-I213 VanDerWaalsContact C-N 3.33Å; R211-I213 PolarHBondContact O-N 3.27Å; I213-H216 PolarHBondContact O-N 3.4Å; I213-V217 PolarHBondContact O-N 2.64Å; I213-F234 HydrophobicContact CD1-CE2 3.72Å; I213-F234 HydrophobicContact CD1-CZ 3.77Å
214V95.2Very high91.8Very high1 Ų143.4 Ų43.41%0.00623%0.225CC..Hα-helixtrans-62.8-45.9177.9177.80000110.9M198 F210 R211 H216 V217 L218 I227 C229 V239M198-V214 HydrophobicContact SD-CG2 3.99Å; F210-V214 HydrophobicContact CD2-CG2 4.16Å; F210-V214 HydrophobicContact CE2-CG2 3.96Å; F210-V214 PolarHBondContact O-N 3.16Å; F210-V214 VanDerWaalsContact O-N 3.13Å; R211-V214 PolarHBondContact O-N 3.38Å; V214-H216 PolarHBondContact O-N 3.45Å; V214-V217 WeakPolarHBondContact O-CB 3.46Å; V214-V217 PolarHBondContact O-N 2.97Å; V214-V217 VanDerWaalsContact O-N 3.12Å; V214-L218 HydrophobicContact CG1-CD1 4.01Å; V214-L218 HydrophobicContact CG1-CG 4.18Å; V214-L218 VanDerWaalsContact O-CG 3.27Å; V214-L218 WeakPolarHBondContact O-CG 3.5Å; V214-L218 PolarHBondContact O-N 2.91Å; V214-I227 HydrophobicContact CG1-CD1 4.05Å; V214-C229 HydrophobicContact CG2-CB 4.27Å; V214-V239 HydrophobicContact CB-CB 4.49Å; V214-V239 HydrophobicContact CB-CG1 3.77Å; V214-V239 HydrophobicContact CG1-CG1 3.83Å; V214-V239 HydrophobicContact CG2-CB 3.97Å; V214-V239 HydrophobicContact CG2-CG1 3.8Å; V214-V239 HydrophobicContact CG2-CG2 4.5Å
215E93.9Very high91.8Very high6 Ų640.2 Ų40.23%0.02821%0.205CC..Hα-helixtrans-55.4-38.7174.3-78.8174.7-170.400112.6R211 Q212 L218 R219 V337 M350R211-E215 HydrophobicContact CG-CG 4.46Å; R211-E215 WeakPolarHBondContact CG-OE1 3.43Å; R211-E215 IonicContact CZ-OE1 2.68Å; R211-E215 VanDerWaalsContact NH1-CD 3.27Å; R211-E215 IonicContact NH1-OE1 3.08Å; R211-E215 PolarHBondContact NH1-OE1 3.33Å; R211-E215 IonicContact NH1-OE2 2.86Å; R211-E215 PolarHBondContact NH1-OE2 3.05Å; R211-E215 WeakPolarHBondContact O-CG 3.16Å; R211-E215 PolarHBondContact O-N 2.85Å; Q212-E215 PolarHBondContact O-N 3.31Å; E215-L218 PolarHBondContact O-N 3.38Å; E215-R219 WeakPolarHBondContact O-CG 3.36Å; E215-R219 PolarHBondContact O-N 3.38Å; E215-V337 HydrophobicContact CG-CB 4.46Å; E215-V337 HydrophobicContact CG-CG1 4.29Å; E215-V337 HydrophobicContact CG-CG2 4Å; E215-M350 WeakPolarHBondContact O-CE 3.38Å
216H92.4Very high92Very high16 Ų1636.7 Ų36.77%0.07419%0.188CC..Hα-helixtrans-70.3-39.4178.5-158.597.5000111.8I201 Q212 I213 V214 R219 H220I201-H216 HydrophobicContact CD1-CB 4.05Å; I201-H216 HydrophobicContact CG2-CB 4.32Å; Q212-H216 WeakPolarHBondContact O-CB 3.25Å; Q212-H216 PolarHBondContact O-N 3.48Å; I213-H216 PolarHBondContact O-N 3.4Å; V214-H216 PolarHBondContact O-N 3.45Å; H216-R219 PolarHBondContact O-N 3.42Å; H216-H220 AromaticContact CD2-NE2 3.92Å; H216-H220 AromaticContact NE2-NE2 3.72Å; H216-H220 PolarHBondContact O-CD2 3.37Å; H216-H220 VanDerWaalsContact O-CD2 3.26Å
217V94.6Very high92.4Very high3 Ų333.1 Ų33.12%0.01817%0.165CC..Hα-helixtrans-57.5-50.2170.4168.60000110.8M194 L197 M198 I201 I213 V214 R219 H220 I221M194-V217 HydrophobicContact CB-CG1 4.35Å; M194-V217 HydrophobicContact CE-CG1 4.31Å; L197-V217 HydrophobicContact CB-CG2 4.19Å; L197-V217 HydrophobicContact CD2-CB 4.47Å; L197-V217 HydrophobicContact CD2-CG1 4.26Å; L197-V217 HydrophobicContact CD2-CG2 4.29Å; L197-V217 HydrophobicContact CG-CG2 4.03Å; M198-V217 HydrophobicContact CB-CG2 4.28Å; M198-V217 HydrophobicContact CG-CB 4.48Å; M198-V217 HydrophobicContact CG-CG2 3.54Å; I201-V217 HydrophobicContact CD1-CB 4.42Å; I201-V217 HydrophobicContact CD1-CG2 3.45Å; I201-V217 VanDerWaalsContact CD1-CG2 3.45Å; I213-V217 PolarHBondContact O-N 2.64Å; V214-V217 WeakPolarHBondContact O-CB 3.46Å; V214-V217 PolarHBondContact O-N 2.97Å; V214-V217 VanDerWaalsContact O-N 3.12Å; V217-R219 PolarHBondContact O-N 2.69Å; V217-R219 VanDerWaalsContact O-N 3.15Å; V217-H220 PolarHBondContact O-N 3.38Å; V217-I221 HydrophobicContact CG1-CG1 3.91Å; V217-I221 VanDerWaalsContact O-CG1 3.29Å; V217-I221 WeakPolarHBondContact O-CG1 3.3Å; V217-I221 PolarHBondContact O-N 2.89Å
218L93.5Very high92.8Very high8 Ų825.2 Ų25.24%0.04212%0.123CC..Hα-helixtrans-62.4-24.8-174.7-67178.6000113.5M194 V214 E215 H220 I221 F225 I227 S241 V337 M350M194-L218 HydrophobicContact CE-CD2 4.12Å; V214-L218 HydrophobicContact CG1-CD1 4.01Å; V214-L218 HydrophobicContact CG1-CG 4.18Å; V214-L218 VanDerWaalsContact O-CG 3.27Å; V214-L218 WeakPolarHBondContact O-CG 3.5Å; V214-L218 PolarHBondContact O-N 2.91Å; E215-L218 PolarHBondContact O-N 3.38Å; L218-H220 PolarHBondContact O-N 3.02Å; L218-I221 PolarHBondContact O-N 3.47Å; L218-F225 HydrophobicContact CD2-CD2 4.15Å; L218-F225 HydrophobicContact CD2-CE1 4.36Å; L218-F225 HydrophobicContact CD2-CE2 3.39Å; L218-F225 HydrophobicContact CD2-CZ 3.53Å; L218-F225 HydrophobicContact CG-CE2 4.49Å; L218-I227 HydrophobicContact CD2-CD1 3.74Å; L218-I227 HydrophobicContact CG-CD1 4.49Å; L218-S241 VanDerWaalsContact CD1-OG 3.25Å; L218-S241 WeakPolarHBondContact CD1-OG 3.28Å; L218-V337 HydrophobicContact CD1-CG2 4Å; L218-M350 HydrophobicContact CB-CE 3.57Å; L218-M350 HydrophobicContact CB-SD 3.36Å; L218-M350 WeakPolarHBondContact CB-SD 3.45Å; L218-M350 HydrophobicContact CD1-SD 3.69Å; L218-M350 HydrophobicContact CG-SD 4.18Å
219R91.9Very high93.1Very high86 Ų8624 Ų2433%0.32512%0.117SC..THydrogen-bonded Turntrans-69.7-21.2174.7-70.8-172.4-165.597.88113.6E215 H216 V217 M350E215-R219 WeakPolarHBondContact O-CG 3.36Å; E215-R219 PolarHBondContact O-N 3.38Å; H216-R219 PolarHBondContact O-N 3.42Å; V217-R219 PolarHBondContact O-N 2.69Å; V217-R219 VanDerWaalsContact O-N 3.15Å; R219-M350 HydrophobicContact CB-CE 4.37Å; R219-M350 HydrophobicContact CG-CE 3.49Å; R219-M350 VanDerWaalsContact CG-CE 3.49Å
220H92.3Very high93.2Very high10 Ų1020 Ų205%0.04610%0.1CC..THydrogen-bonded Turntrans-99.7-5.2179.5-67.8-67.6000112.8N170 I174 L197 H216 V217 L218 F273N170-H220 PolarHBondContact ND2-O 3.4Å; I174-H220 WeakPolarHBondContact CD1-O 3.48Å; L197-H220 HydrophobicContact CD2-CB 4.05Å; H216-H220 AromaticContact CD2-NE2 3.92Å; H216-H220 AromaticContact NE2-NE2 3.72Å; H216-H220 PolarHBondContact O-CD2 3.37Å; H216-H220 VanDerWaalsContact O-CD2 3.26Å; V217-H220 PolarHBondContact O-N 3.38Å; L218-H220 PolarHBondContact O-N 3.02Å; H220-F273 AromaticContact CE1-CD2 3.77Å; H220-F273 AromaticContact CE1-CE2 3.71Å; H220-F273 AromaticContact CE1-CG 3.97Å; H220-F273 AromaticContact CE1-CZ 3.85Å; H220-F273 AromaticContact ND1-CD2 4Å; H220-F273 AromaticContact ND1-CE1 3.93Å; H220-F273 AromaticContact ND1-CE2 3.45Å; H220-F273 WeakPolarHBondContact ND1-CE2 3.38Å; H220-F273 AromaticContact ND1-CZ 3.41Å; H220-F273 WeakPolarHBondContact ND1-CZ 3.43Å
221I91.9Very high93.1Very high12 Ų1220 Ų206%0.06210%0.1CC..  trans-98.8129.6-173.8-67.9-71.8000109.7I168 I174 V193 M194 V217 L218 F225I168-I221 HydrophobicContact CD1-CG2 3.54Å; I168-I221 HydrophobicContact CG1-CG2 4.29Å; I168-I221 HydrophobicContact CG2-CD1 3.82Å; I168-I221 HydrophobicContact CG2-CG2 4.02Å; I174-I221 HydrophobicContact CD1-CD1 3.46Å; I174-I221 VanDerWaalsContact CD1-CD1 3.46Å; I174-I221 HydrophobicContact CD1-CG1 4.43Å; V193-I221 HydrophobicContact CG2-CD1 4.39Å; M194-I221 HydrophobicContact CE-CG1 4.28Å; M194-I221 HydrophobicContact CG-CD1 3.66Å; M194-I221 HydrophobicContact CG-CG1 4.37Å; V217-I221 HydrophobicContact CG1-CG1 3.91Å; V217-I221 VanDerWaalsContact O-CG1 3.29Å; V217-I221 WeakPolarHBondContact O-CG1 3.3Å; V217-I221 PolarHBondContact O-N 2.89Å; L218-I221 PolarHBondContact O-N 3.47Å; I221-F225 HydrophobicContact CG2-CD1 3.79Å; I221-F225 HydrophobicContact CG2-CE1 3.77Å
222E90.2Very high92.9Very high118 Ų11818.1 Ų18.155%0.5519%0.093SC*.  trans-112.2151.4172.4-64.9176.4-174.400110.7I168 T169 N170I168-E222 CarbonylContact C-O 3.55Å; I168-E222 WeakPolarHBondContact CA-O 3.47Å; T169-E222 PolarHBondContact N-O 3.42Å; T169-E222 VanDerWaalsContact OG1-C 3.26Å; T169-E222 WeakPolarHBondContact OG1-CB 3.32Å; T169-E222 PolarHBondContact OG1-O 2.89Å; N170-E222 HydrophobicContact CB-CB 4.09Å; N170-E222 HydrophobicContact CB-CG 4.33Å; N170-E222 PolarHBondContact OD1-N 3.22Å
223G86.1Confident92.7Very high28 Ų2816.8 Ų16.829%0.2899%0.087SC..EExtended strand (participates in β ladder)trans118.4-149.9177.600000112.6I167 T169 L243I167-G223 WeakPolarHBondContact O-CA 3.12Å; T169-G223 PolarHBondContact OG1-N 2.88Å; G223-L243 WeakPolarHBondContact O-CD2 3.37Å
224A86.4Confident92.6Very high22 Ų2218 Ų1818%0.1829%0.092CC..EExtended strand (participates in β ladder)trans-123.2134.1177.300000108.5G166 I167 L243G166-A224 CarbonylContact C-O 3.49Å; G166-A224 WeakPolarHBondContact CA-O 3.41Å; I167-A224 PolarHBondContact N-O 3.22Å; I167-A224 PolarHBondContact O-N 2.71Å; I167-A224 VanDerWaalsContact O-N 3.16Å; A224-L243 CarbonylContact C-O 3.57Å; A224-L243 WeakPolarHBondContact CA-O 3.42Å
225F90.9Very high92.3Very high5 Ų521.2 Ų21.22%0.02211%0.114CC..EExtended strand (participates in β ladder)trans-153.8150.2-175.857.7-96.9000112.2H164 N165 I168 L218 I221 I227 R242 L243 S245H164-F225 WeakPolarHBondContact NE2-CB 3.43Å; N165-F225 CarbonylContact O-C 3.48Å; N165-F225 VanDerWaalsContact O-CA 3.27Å; N165-F225 WeakPolarHBondContact O-CA 3.25Å; I168-F225 HydrophobicContact CD1-CB 4Å; I168-F225 HydrophobicContact CD1-CD1 4.15Å; I168-F225 HydrophobicContact CD1-CG 4.42Å; L218-F225 HydrophobicContact CD2-CD2 4.15Å; L218-F225 HydrophobicContact CD2-CE1 4.36Å; L218-F225 HydrophobicContact CD2-CE2 3.39Å; L218-F225 HydrophobicContact CD2-CZ 3.53Å; L218-F225 HydrophobicContact CG-CE2 4.49Å; I221-F225 HydrophobicContact CG2-CD1 3.79Å; I221-F225 HydrophobicContact CG2-CE1 3.77Å; F225-I227 HydrophobicContact CB-CG2 4.37Å; F225-I227 HydrophobicContact CD2-CG1 4.5Å; F225-I227 HydrophobicContact CD2-CG2 4.32Å; F225-R242 CarbonylContact O-C 3.59Å; F225-R242 VanDerWaalsContact O-CA 3.25Å; F225-R242 WeakPolarHBondContact O-CA 3.47Å; F225-L243 HydrophobicContact CD1-CB 4.13Å; F225-L243 HydrophobicContact CD1-CD2 4.48Å; F225-L243 HydrophobicContact CD2-CB 4.38Å; F225-L243 HydrophobicContact CE1-CB 3.69Å; F225-L243 HydrophobicContact CE1-CD2 3.72Å; F225-L243 HydrophobicContact CE1-CG 4.34Å; F225-L243 HydrophobicContact CE2-CB 3.94Å; F225-L243 HydrophobicContact CG-CB 4.45Å; F225-L243 HydrophobicContact CZ-CB 3.56Å; F225-L243 HydrophobicContact CZ-CD2 4.12Å; F225-L243 PolarHBondContact N-O 2.98Å; F225-L243 PolarHBondContact O-N 3.3Å; F225-L243 VanDerWaalsContact O-O 3.13Å; F225-S245 VanDerWaalsContact C-CB 3.48Å
226A94.2Very high92.2Very high0 Ų021.7 Ų21.70%012%0.12CC..EExtended strand (participates in β ladder)trans-128.2130.8156.400000106.4I7 H164 N165 S241 R242 S245 L247I7-A226 HydrophobicContact CD1-CB 4.21Å; I7-A226 WeakPolarHBondContact CD1-O 3.45Å; H164-A226 CarbonylContact C-O 3.46Å; H164-A226 WeakPolarHBondContact CA-O 3.3Å; N165-A226 HydrophobicContact CB-CB 4.32Å; N165-A226 PolarHBondContact N-O 3.28Å; N165-A226 PolarHBondContact O-N 3.5Å; A226-S241 WeakPolarHBondContact CA-O 3.37Å; A226-R242 HydrophobicContact CB-CB 4.22Å; A226-S245 WeakPolarHBondContact CB-OG 3.38Å; A226-L247 HydrophobicContact CB-CB 4.16Å; A226-L247 HydrophobicContact CB-CD2 4.35Å
227I96.5Very high92.3Very high1 Ų122.4 Ų22.41%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-132.5149.2-173.761.8169.4000111.7I162 V163 H164 M194 V214 L218 F225 A240 S241I162-I227 HydrophobicContact CD1-CB 4Å; I162-I227 HydrophobicContact CD1-CD1 4.24Å; I162-I227 HydrophobicContact CD1-CG2 3.89Å; I162-I227 HydrophobicContact CG1-CB 4.21Å; I162-I227 HydrophobicContact CG1-CG2 4.37Å; V163-I227 VanDerWaalsContact O-CA 3.26Å; V163-I227 WeakPolarHBondContact O-CA 3.48Å; H164-I227 HydrophobicContact CB-CG2 4.12Å; M194-I227 HydrophobicContact CE-CD1 3.8Å; M194-I227 HydrophobicContact CE-CG2 3.82Å; M194-I227 HydrophobicContact SD-CG2 4.17Å; V214-I227 HydrophobicContact CG1-CD1 4.05Å; L218-I227 HydrophobicContact CD2-CD1 3.74Å; L218-I227 HydrophobicContact CG-CD1 4.49Å; F225-I227 HydrophobicContact CB-CG2 4.37Å; F225-I227 HydrophobicContact CD2-CG1 4.5Å; F225-I227 HydrophobicContact CD2-CG2 4.32Å; I227-A240 WeakPolarHBondContact O-CA 3.48Å; I227-S241 PolarHBondContact N-O 3.47Å; I227-S241 PolarHBondContact O-N 2.85Å; I227-S241 VanDerWaalsContact O-N 3.1Å
228V97.5Very high92.4Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-133.1126163.9-176.40000108I7 A9 I110 I162 V163 L238 A240 L247 F315I7-V228 HydrophobicContact CG2-CB 4.47Å; I7-V228 HydrophobicContact CG2-CG2 3.68Å; A9-V228 HydrophobicContact CB-CG1 3.91Å; I110-V228 HydrophobicContact CG2-CG1 3.87Å; I162-V228 WeakPolarHBondContact CA-O 3.47Å; V163-V228 HydrophobicContact CG2-CB 3.76Å; V163-V228 HydrophobicContact CG2-CG2 4.41Å; V163-V228 PolarHBondContact N-O 3.22Å; V163-V228 PolarHBondContact O-N 3.27Å; V163-V228 VanDerWaalsContact O-N 3.1Å; V228-L238 HydrophobicContact CG1-CD2 4.15Å; V228-A240 HydrophobicContact CG2-CB 3.99Å; V228-L247 HydrophobicContact CG2-CD1 4.35Å; V228-F315 HydrophobicContact CG2-CB 4.04Å; V228-F315 HydrophobicContact CG2-CG 4.44Å
229C97.2Very high92.5Very high1 Ų122 Ų221%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-112.7142-175.3-54.10000110.4I161 M198 F210 V214 L238 V239I161-C229 WeakPolarHBondContact O-CA 3.42Å; M198-C229 HydrophobicContact CE-CB 4.39Å; M198-C229 HydrophobicContact SD-CB 4.2Å; F210-C229 HydrophobicContact CE2-CB 4.11Å; F210-C229 HydrophobicContact CZ-CB 3.6Å; V214-C229 HydrophobicContact CG2-CB 4.27Å; C229-L238 WeakPolarHBondContact O-CD2 3.44Å; C229-V239 PolarHBondContact N-O 3.48Å; C229-V239 PolarHBondContact O-N 2.53Å
230K95Very high92.8Very high5 Ų517.9 Ų17.92%0.02211%0.105CC..EExtended strand (participates in β ladder)trans-132.3148.1171.9174.1-178.1174.6-174.10109.6I63 D64 I76 C108 I110 I161 L238I63-K230 PolarHBondContact O-NZ 3.35Å; D64-K230 WeakPolarHBondContact OD1-CE 3.23Å; D64-K230 IonicContact OD1-NZ 3.74Å; D64-K230 PolarHBondContact OD1-NZ 3.04Å; I76-K230 HydrophobicContact CD1-CD 4.48Å; I76-K230 HydrophobicContact CD1-CG 4.39Å; C108-K230 HydrophobicContact CB-CD 3.97Å; C108-K230 HydrophobicContact CB-CG 4.42Å; C108-K230 WeakPolarHBondContact O-CE 3.36Å; C108-K230 PolarHBondContact O-NZ 2.59Å; I110-K230 HydrophobicContact CD1-CB 4.29Å; I110-K230 HydrophobicContact CG2-CB 4.36Å; I161-K230 HydrophobicContact CD1-CB 4.18Å; I161-K230 HydrophobicContact CD1-CD 4.11Å; I161-K230 HydrophobicContact CD1-CG 4.48Å; I161-K230 HydrophobicContact CG1-CB 3.78Å; I161-K230 HydrophobicContact CG1-CG 4.35Å; I161-K230 PolarHBondContact N-O 3.22Å; I161-K230 PolarHBondContact O-N 2.94Å; K230-L238 HydrophobicContact CB-CD2 3.92Å
231S92.9Very high93Very high2 Ų217.4 Ų17.41%0.01410%0.103CC..EExtended strand (participates in β ladder)trans-139.3151.1178.3-178.60000112.7H159 F160 H233H159-S231 WeakPolarHBondContact O-CA 3.4Å; H159-S231 WeakPolarHBondContact O-CB 3.42Å; H159-S231 PolarHBondContact O-OG 2.96Å; F160-S231 WeakPolarHBondContact CE1-OG 3.29Å; S231-H233 VanDerWaalsContact C-N 3.34Å; S231-H233 PolarHBondContact OG-N 2.7Å; S231-H233 VanDerWaalsContact OG-N 3.09Å
232T89.8Confident93Very high4 Ų417 Ų173%0.02510%0.101CC..SBendtrans-77.4-19.4168.453.20000113.4T69 N73 I76 M158 H159 F234T69-T232 HydrophobicContact CG2-CG2 4.09Å; N73-T232 WeakPolarHBondContact CB-O 3.43Å; N73-T232 PolarHBondContact ND2-O 2.74Å; I76-T232 HydrophobicContact CB-CG2 4.46Å; I76-T232 HydrophobicContact CD1-CG2 3.69Å; I76-T232 HydrophobicContact CG1-CG2 3.64Å; M158-T232 WeakPolarHBondContact O-CG2 3.33Å; M158-T232 PolarHBondContact O-OG1 3.32Å; H159-T232 PolarHBondContact O-N 2.87Å; H159-T232 VanDerWaalsContact O-N 3.08Å; T232-F234 VanDerWaalsContact C-N 3.32Å
233H89.3Confident93Very high24 Ų2413.2 Ų13.211%0.1118%0.084CC..SBendtrans-78.3-21.5176.4-63.9-56.8000112.5E71 H159 F160 Y202 S231 P235E71-H233 IonicContact OE1-CE1 3.31Å; E71-H233 IonicContact OE1-ND1 3.39Å; E71-H233 IonicContact OE2-CE1 2.97Å; E71-H233 IonicContact OE2-ND1 2.89Å; E71-H233 PolarHBondContact OE2-ND1 3.42Å; H159-H233 AromaticContact CE1-NE2 3.8Å; H159-H233 AromaticContact CG-NE2 3.59Å; H159-H233 AromaticContact ND1-CD2 3.91Å; H159-H233 AromaticContact ND1-CE1 3.32Å; H159-H233 PolarHBondContact ND1-CE1 2.91Å; H159-H233 VanDerWaalsContact ND1-CE1 3.32Å; H159-H233 AromaticContact ND1-NE2 2.82Å; H159-H233 PolarHBondContact ND1-NE2 2.86Å; F160-H233 AromaticContact CE2-CD2 3.93Å; Y202-H233 AromaticContact CD1-NE2 3.96Å; Y202-H233 AromaticContact CE1-CD2 3.53Å; Y202-H233 AromaticContact CE1-CE1 3.72Å; Y202-H233 AromaticContact CE1-NE2 3.35Å; Y202-H233 WeakPolarHBondContact CE1-NE2 3.37Å; Y202-H233 HydrophobicContact CE2-CB 4.21Å; Y202-H233 AromaticContact CZ-CD2 3.58Å; Y202-H233 AromaticContact CZ-CE1 3.9Å; Y202-H233 AromaticContact CZ-CG 3.62Å; Y202-H233 AromaticContact CZ-ND1 3.85Å; Y202-H233 AromaticContact CZ-NE2 3.79Å; Y202-H233 PolarHBondContact OH-ND1 3.01Å; S231-H233 VanDerWaalsContact C-N 3.34Å; S231-H233 PolarHBondContact OG-N 2.7Å; S231-H233 VanDerWaalsContact OG-N 3.09Å; H233-P235 VanDerWaalsContact C-CD 3.45Å; H233-P235 WeakPolarHBondContact O-CD 3.32Å
234F92.5Very high92.7Very high25 Ų2513 Ų1311%0.118%0.078CC..SBendtrans-12566.8-177.9-55.1-78000109.3F160 Y202 M208 F210 I213 T232 G236 E237F160-F234 HydrophobicContact CE1-CD2 4.31Å; F160-F234 HydrophobicContact CE1-CE2 4.16Å; F160-F234 HydrophobicContact CZ-CE2 4.22Å; Y202-F234 HydrophobicContact CD2-CE2 4.24Å; Y202-F234 HydrophobicContact CD2-CZ 4.3Å; Y202-F234 HydrophobicContact CE2-CE2 4.2Å; Y202-F234 HydrophobicContact CE2-CZ 4.09Å; M208-F234 WeakPolarHBondContact O-CZ 3.42Å; F210-F234 HydrophobicContact CB-CB 3.96Å; F210-F234 HydrophobicContact CB-CD1 3.84Å; F210-F234 HydrophobicContact CB-CD2 3.62Å; F210-F234 HydrophobicContact CB-CE1 4.22Å; F210-F234 HydrophobicContact CB-CE2 4.02Å; F210-F234 HydrophobicContact CB-CG 3.53Å; F210-F234 HydrophobicContact CB-CZ 4.3Å; F210-F234 HydrophobicContact CD1-CB 3.9Å; F210-F234 HydrophobicContact CD1-CD2 4.29Å; F210-F234 HydrophobicContact CD1-CG 4.27Å; F210-F234 AromaticContact CD2-CD2 3.85Å; F210-F234 HydrophobicContact CD2-CD2 3.85Å; F210-F234 HydrophobicContact CD2-CE2 4.21Å; F210-F234 HydrophobicContact CG-CB 4.04Å; F210-F234 AromaticContact CG-CD2 3.66Å; F210-F234 HydrophobicContact CG-CD2 3.66Å; F210-F234 HydrophobicContact CG-CE2 4.28Å; F210-F234 AromaticContact CG-CG 3.89Å; F210-F234 HydrophobicContact CG-CG 3.89Å; I213-F234 HydrophobicContact CD1-CE2 3.72Å; I213-F234 HydrophobicContact CD1-CZ 3.77Å; T232-F234 VanDerWaalsContact C-N 3.32Å; F234-G236 PolarHBondContact O-N 2.97Å; F234-E237 HydrophobicContact CB-CB 4.09Å; F234-E237 HydrophobicContact CB-CG 4.2Å; F234-E237 WeakPolarHBondContact O-CB 3.49Å; F234-E237 PolarHBondContact O-N 3.34Å
235P89.9Confident92.6Very high70 Ų7012.3 Ų12.346%0.4557%0.072SC..THydrogen-bonded Turntrans-64.7135.3-174.228.7-36.3000111.2H233 E237H233-P235 VanDerWaalsContact C-CD 3.45Å; H233-P235 WeakPolarHBondContact O-CD 3.32Å; P235-E237 PolarHBondContact O-N 3.32Å
236G90.7Very high92.5Very high15 Ų1512.9 Ų12.916%0.1558%0.076CC..THydrogen-bonded Turntrans78.43.6-177.900000114.4L11 C108 F234L11-G236 WeakPolarHBondContact CD1-O 3.46Å; C108-G236 VanDerWaalsContact SG-C 3.52Å; C108-G236 VanDerWaalsContact SG-CA 3.59Å; F234-G236 PolarHBondContact O-N 2.97Å
237E94.6Very high92.4Very high32 Ų3213.1 Ų13.115%0.158%0.077CC..  trans-102.7145.3175.1-59.3-174.1-154.700112.1F210 F234 P235 I340F210-E237 WeakPolarHBondContact CB-OE2 3.4Å; F210-E237 HydrophobicContact CD1-CB 3.96Å; F234-E237 HydrophobicContact CB-CB 4.09Å; F234-E237 HydrophobicContact CB-CG 4.2Å; F234-E237 WeakPolarHBondContact O-CB 3.49Å; F234-E237 PolarHBondContact O-N 3.34Å; P235-E237 PolarHBondContact O-N 3.32Å; E237-I340 VanDerWaalsContact CA-O 3.29Å; E237-I340 WeakPolarHBondContact CA-O 3.43Å; E237-I340 WeakPolarHBondContact CB-O 3.41Å
238L96.5Very high92.3Very high0 Ų013.2 Ų13.20%08%0.078CC..EExtended strand (participates in β ladder)trans-130.2140.5167-74.7178.2000109.3A9 L11 C108 I110 V228 C229 K230 F315 A339 I340A9-L238 HydrophobicContact CB-CD1 4.28Å; L11-L238 HydrophobicContact CB-CD1 3.9Å; L11-L238 HydrophobicContact CD1-CB 4.27Å; L11-L238 HydrophobicContact CD1-CD1 3.99Å; L11-L238 HydrophobicContact CD1-CG 3.96Å; C108-L238 HydrophobicContact CB-CD2 4.12Å; C108-L238 HydrophobicContact CB-CG 4.21Å; I110-L238 HydrophobicContact CG2-CD2 3.81Å; V228-L238 HydrophobicContact CG1-CD2 4.15Å; C229-L238 WeakPolarHBondContact O-CD2 3.44Å; K230-L238 HydrophobicContact CB-CD2 3.92Å; L238-F315 HydrophobicContact CB-CE2 4.34Å; L238-F315 HydrophobicContact CD1-CD2 4.18Å; L238-F315 HydrophobicContact CD1-CE2 4.12Å; L238-A339 WeakPolarHBondContact O-CA 3.09Å; L238-I340 PolarHBondContact O-N 3.33Å
239V97.3Very high92.1Very high1 Ų113.2 Ų13.21%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-124127.8171.5-177.50000109F210 R211 V214 C229 V337 A338 A339F210-V239 HydrophobicContact CB-CG2 4.13Å; F210-V239 HydrophobicContact CD1-CB 4.4Å; F210-V239 HydrophobicContact CD1-CG2 3.52Å; F210-V239 HydrophobicContact CD2-CG2 4.33Å; F210-V239 HydrophobicContact CE1-CB 4.34Å; F210-V239 HydrophobicContact CE1-CG2 3.93Å; F210-V239 HydrophobicContact CG-CG2 3.74Å; F210-V239 HydrophobicContact CZ-CG2 4.49Å; R211-V239 HydrophobicContact CB-CG2 4.43Å; V214-V239 HydrophobicContact CB-CB 4.49Å; V214-V239 HydrophobicContact CB-CG1 3.77Å; V214-V239 HydrophobicContact CG1-CG1 3.83Å; V214-V239 HydrophobicContact CG2-CB 3.97Å; V214-V239 HydrophobicContact CG2-CG1 3.8Å; V214-V239 HydrophobicContact CG2-CG2 4.5Å; C229-V239 PolarHBondContact N-O 3.48Å; C229-V239 PolarHBondContact O-N 2.53Å; V239-V337 HydrophobicContact CG1-CG1 3.69Å; V239-A338 WeakPolarHBondContact CA-O 3.01Å; V239-A339 HydrophobicContact CG2-CB 4.22Å
240A97.3Very high92Very high0 Ų013.2 Ų13.20%08%0.078CC..EExtended strand (participates in β ladder)trans-129.6142.9-176.700000110.2I227 V228 L247 F315 V337 A338I227-A240 WeakPolarHBondContact O-CA 3.48Å; V228-A240 HydrophobicContact CG2-CB 3.99Å; A240-L247 HydrophobicContact CB-CD2 4Å; A240-F315 HydrophobicContact CB-CD1 3.44Å; A240-F315 VanDerWaalsContact CB-CD1 3.44Å; A240-F315 HydrophobicContact CB-CE1 3.4Å; A240-F315 VanDerWaalsContact CB-CE1 3.4Å; A240-F315 HydrophobicContact CB-CG 4.32Å; A240-F315 HydrophobicContact CB-CZ 4.26Å; A240-V337 CarbonylContact O-C 3.41Å; A240-V337 WeakPolarHBondContact O-CA 3.42Å; A240-A338 HydrophobicContact CB-CB 4.49Å; A240-A338 PolarHBondContact N-O 3.34Å; A240-A338 PolarHBondContact O-N 3.18Å
241S96.3Very high91.9Very high0 Ų013.1 Ų13.10%08%0.078CC..EExtended strand (participates in β ladder)trans-152.8158178.7-174.80000111L218 A226 I227 L247 D336L218-S241 VanDerWaalsContact CD1-OG 3.25Å; L218-S241 WeakPolarHBondContact CD1-OG 3.28Å; A226-S241 WeakPolarHBondContact CA-O 3.37Å; I227-S241 PolarHBondContact N-O 3.47Å; I227-S241 PolarHBondContact O-N 2.85Å; I227-S241 VanDerWaalsContact O-N 3.1Å; S241-L247 WeakPolarHBondContact O-CD2 3.43Å; S241-D336 VanDerWaalsContact CA-O 3.25Å; S241-D336 WeakPolarHBondContact CA-O 3.35Å; S241-D336 VanDerWaalsContact CB-O 3.27Å; S241-D336 WeakPolarHBondContact CB-O 3.44Å; S241-D336 PolarHBondContact OG-O 2.99Å
242R92.7Very high91.8Very high3 Ų317 Ų171%0.0119%0.092CC..EExtended strand (participates in β ladder)trans-141.4155.4175.162.9156.6-77.1162.69.5113.8F225 A226 S245 L247 L332 E333 D334 N335F225-R242 CarbonylContact O-C 3.59Å; F225-R242 VanDerWaalsContact O-CA 3.25Å; F225-R242 WeakPolarHBondContact O-CA 3.47Å; A226-R242 HydrophobicContact CB-CB 4.22Å; R242-S245 VanDerWaalsContact CB-O 3.3Å; R242-S245 WeakPolarHBondContact CB-O 3.49Å; R242-S245 VanDerWaalsContact CD-O 3.31Å; R242-S245 WeakPolarHBondContact CD-O 3.35Å; R242-S245 PolarHBondContact NE-O 3.28Å; R242-S245 VanDerWaalsContact NE-O 3.12Å; R242-S245 PolarHBondContact NH1-O 3.23Å; R242-L247 HydrophobicContact CB-CB 4.03Å; R242-L247 HydrophobicContact CB-CD2 4.44Å; R242-L247 HydrophobicContact CG-CB 4.28Å; R242-L332 VanDerWaalsContact CD-O 3.3Å; R242-L332 WeakPolarHBondContact CD-O 3.31Å; R242-L332 HydrophobicContact CG-CB 3.97Å; R242-E333 VanDerWaalsContact CG-O 3.3Å; R242-E333 WeakPolarHBondContact CG-O 3.25Å; R242-D334 IonicContact CZ-OD1 3.65Å; R242-D334 IonicContact NE-OD1 3.21Å; R242-D334 PolarHBondContact NE-OD1 3.15Å; R242-D334 IonicContact NH2-OD1 2.64Å; R242-D334 PolarHBondContact NH2-OD1 3.33Å; R242-N335 PolarHBondContact O-N 3.01Å
243L88.8Confident91.5Very high39 Ų3918.4 Ų18.420%0.20410%0.102CC..EExtended strand (participates in β ladder)trans-147.5114.3167-17962.8000108G223 A224 F225 S245 D334G223-L243 WeakPolarHBondContact O-CD2 3.37Å; A224-L243 CarbonylContact C-O 3.57Å; A224-L243 WeakPolarHBondContact CA-O 3.42Å; F225-L243 HydrophobicContact CD1-CB 4.13Å; F225-L243 HydrophobicContact CD1-CD2 4.48Å; F225-L243 HydrophobicContact CD2-CB 4.38Å; F225-L243 HydrophobicContact CE1-CB 3.69Å; F225-L243 HydrophobicContact CE1-CD2 3.72Å; F225-L243 HydrophobicContact CE1-CG 4.34Å; F225-L243 HydrophobicContact CE2-CB 3.94Å; F225-L243 HydrophobicContact CG-CB 4.45Å; F225-L243 HydrophobicContact CZ-CB 3.56Å; F225-L243 HydrophobicContact CZ-CD2 4.12Å; F225-L243 PolarHBondContact N-O 2.98Å; F225-L243 PolarHBondContact O-N 3.3Å; F225-L243 VanDerWaalsContact O-O 3.13Å; L243-S245 PolarHBondContact O-N 3.12Å; L243-D334 HydrophobicContact CD1-CB 3.91Å
244S79.8Confident90.6Very high24 Ų2421.3 Ų21.317%0.16813%0.13CC..BIsolated β-bridgetrans53.623.8179.1-66.70000115.3D334 R494S244-D334 PolarHBondContact N-OD1 3.45Å; S244-D334 PolarHBondContact N-OD2 2.87Å; S244-D334 PolarHBondContact OG-OD2 3.45Å; S244-D334 VanDerWaalsContact OG-OD2 3.08Å; S244-R494 PolarHBondContact OG-NH1 3.33Å; S244-R494 PolarHBondContact OG-NH2 2.81Å
245S85Confident89.2Confident8 Ų826.6 Ų26.66%0.05616%0.16CC..SBendtrans-138.3132.2172.7178.60000110.1N165 F225 A226 R242 L243 L247N165-S245 PolarHBondContact O-OG 3.38Å; F225-S245 VanDerWaalsContact C-CB 3.48Å; A226-S245 WeakPolarHBondContact CB-OG 3.38Å; R242-S245 VanDerWaalsContact CB-O 3.3Å; R242-S245 WeakPolarHBondContact CB-O 3.49Å; R242-S245 VanDerWaalsContact CD-O 3.31Å; R242-S245 WeakPolarHBondContact CD-O 3.35Å; R242-S245 PolarHBondContact NE-O 3.28Å; R242-S245 VanDerWaalsContact NE-O 3.12Å; R242-S245 PolarHBondContact NH1-O 3.23Å; L243-S245 PolarHBondContact O-N 3.12Å; S245-L247 PolarHBondContact O-N 3.13Å
246P87.9Confident87.7Confident16 Ų1627 Ų2710%0.10415%0.152CC..  trans-58.2133.5-177-27.735.9000114.6S317 E485P246-S317 WeakPolarHBondContact CB-O 3.31Å; P246-S317 WeakPolarHBondContact O-CA 3.45Å; P246-S317 WeakPolarHBondContact O-CB 3.45Å; P246-E485 HydrophobicContact CG-CG 3.7Å
247L93Very high86Confident5 Ų536.1 Ų36.13%0.02619%0.187CC..  trans-152135.5170.9-165.259.3000109.1I7 A226 V228 A240 S241 R242 S245 A316 L332I7-L247 HydrophobicContact CG2-CD1 4.31Å; A226-L247 HydrophobicContact CB-CB 4.16Å; A226-L247 HydrophobicContact CB-CD2 4.35Å; V228-L247 HydrophobicContact CG2-CD1 4.35Å; A240-L247 HydrophobicContact CB-CD2 4Å; S241-L247 WeakPolarHBondContact O-CD2 3.43Å; R242-L247 HydrophobicContact CB-CB 4.03Å; R242-L247 HydrophobicContact CB-CD2 4.44Å; R242-L247 HydrophobicContact CG-CB 4.28Å; S245-L247 PolarHBondContact O-N 3.13Å; L247-A316 WeakPolarHBondContact CA-O 3.26Å; L247-L332 HydrophobicContact CB-CD1 4.31Å; L247-L332 HydrophobicContact CD2-CD1 3.96Å; L247-L332 HydrophobicContact CG-CD1 4.02Å; L247-L332 WeakPolarHBondContact O-CB 3.24Å; L247-L332 PolarHBondContact O-N 2.84Å; L247-L332 VanDerWaalsContact O-N 3.11Å
248L93.4Very high84.1Confident4 Ų437 Ų372%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-137.8161.6176.964.982.6000110.9F315 A316 A319 V322 V329 I330 F331L248-F315 WeakPolarHBondContact O-CA 3.45Å; L248-A316 HydrophobicContact CD1-CB 4.31Å; L248-A316 PolarHBondContact N-O 2.89Å; L248-A316 PolarHBondContact O-N 3.13Å; L248-A319 HydrophobicContact CD2-CB 3.89Å; L248-V322 HydrophobicContact CD1-CB 4.26Å; L248-V322 HydrophobicContact CD1-CG1 4.49Å; L248-V322 HydrophobicContact CD1-CG2 3.67Å; L248-V329 HydrophobicContact CD1-CB 4.31Å; L248-V329 HydrophobicContact CD1-CG1 4.13Å; L248-I330 CarbonylContact C-O 3.26Å; L248-I330 WeakPolarHBondContact CA-O 3.43Å; L248-I330 WeakPolarHBondContact CB-O 3.03Å; L248-F331 HydrophobicContact CB-CD1 4.01Å; L248-F331 HydrophobicContact CB-CE1 4.37Å; L248-F331 HydrophobicContact CD2-CD1 4.05Å; L248-F331 HydrophobicContact CD2-CE1 3.57Å; L248-F331 HydrophobicContact CD2-CZ 4.25Å
249V95.2Very high82.6Confident0 Ų038.5 Ų38.50%021%0.205CC..EExtended strand (participates in β ladder)trans-121.5114.1178.4-1660000109.1I251 Y313 F314 F315 V329 I330 L332 L345V249-I251 HydrophobicContact CG1-CG1 4.49Å; V249-Y313 HydrophobicContact CG1-CD1 4.35Å; V249-F314 CarbonylContact C-O 3.28Å; V249-F314 WeakPolarHBondContact CA-O 3.47Å; V249-F315 HydrophobicContact CB-CD1 4.41Å; V249-F315 HydrophobicContact CB-CE1 4.26Å; V249-F315 HydrophobicContact CG1-CD1 4.31Å; V249-F315 HydrophobicContact CG1-CE1 3.96Å; V249-F315 HydrophobicContact CG1-CE2 4.38Å; V249-F315 HydrophobicContact CG1-CZ 4Å; V249-F315 HydrophobicContact CG2-CD1 3.59Å; V249-F315 HydrophobicContact CG2-CE1 3.36Å; V249-F315 HydrophobicContact CG2-CZ 4.2Å; V249-V329 CarbonylContact O-C 3.19Å; V249-V329 VanDerWaalsContact O-CA 3.27Å; V249-V329 WeakPolarHBondContact O-CA 3.44Å; V249-I330 PolarHBondContact N-O 3.16Å; V249-I330 PolarHBondContact O-N 2.81Å; V249-L332 HydrophobicContact CG2-CD1 4.19Å; V249-L332 HydrophobicContact CG2-CD2 4.15Å; V249-L332 HydrophobicContact CG2-CG 4.23Å; V249-L345 HydrophobicContact CG1-CD2 4.07Å
250G94.3Very high81.5Confident0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-82.9139.9166.400000111.3Y313 F314 Q328G250-Y313 WeakPolarHBondContact O-CA 3.3Å; G250-F314 PolarHBondContact N-O 3.28Å; G250-F314 PolarHBondContact O-N 3.18Å; G250-Q328 WeakPolarHBondContact CA-O 3.32Å
251I92.1Very high80.8Confident4 Ų448.5 Ų48.52%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-123.4130.3-179.8-55.2169.6000109.3V249 Y262 Y313 T326 Q328 I330 L345V249-I251 HydrophobicContact CG1-CG1 4.49Å; I251-Y262 HydrophobicContact CD1-CE2 4.09Å; I251-Y262 WeakPolarHBondContact CD1-OH 3.2Å; I251-Y313 HydrophobicContact CG1-CD1 4.01Å; I251-Y313 HydrophobicContact CG1-CE1 4.12Å; I251-Y313 HydrophobicContact CG2-CD1 4.47Å; I251-Y313 HydrophobicContact CG2-CE1 4.17Å; I251-T326 WeakPolarHBondContact O-CB 3.43Å; I251-T326 PolarHBondContact O-OG1 2.86Å; I251-Q328 PolarHBondContact N-O 2.94Å; I251-I330 HydrophobicContact CD1-CD1 3.66Å; I251-I330 HydrophobicContact CD1-CG1 4.24Å; I251-L345 HydrophobicContact CD1-CD2 3.92Å; I251-L345 HydrophobicContact CG1-CD2 4.48Å
252R90.6Very high80.1Confident83 Ų8349.1 Ų49.131%0.31325%0.253SS..EExtended strand (participates in β ladder)trans-129.6129.1169.6-172.5172.182.9177.93.5109.1R17 E312 F314 H325R17-R252 VanDerWaalsContact NH2-NH2 3.12Å; R252-E312 HydrophobicContact CB-CB 4.28Å; R252-E312 IonicContact CZ-OE1 3.27Å; R252-E312 IonicContact CZ-OE2 2.72Å; R252-E312 PolarHBondContact N-O 3.37Å; R252-E312 IonicContact NE-OE2 3.43Å; R252-E312 PolarHBondContact NE-OE2 3.06Å; R252-E312 IonicContact NH2-OE1 3.8Å; R252-E312 PolarHBondContact NH2-OE1 3.39Å; R252-E312 IonicContact NH2-OE2 3.12Å; R252-E312 PolarHBondContact NH2-OE2 2.96Å; R252-E312 PolarHBondContact O-N 2.92Å; R252-F314 HydrophobicContact CB-CE2 4.03Å; R252-H325 WeakPolarHBondContact CD-O 3.43Å
253S83.8Confident79.7Confident34 Ų3450.5 Ų50.524%0.23826%0.262CS..  trans-149.4137.5172.6178.40000108.6R256 E310S253-R256 WeakPolarHBondContact OG-CB 3.34Å; S253-E310 PolarHBondContact OG-O 2.87Å
254A69.9Low79.4Confident85 Ų8549.2 Ų49.270%0.70226%0.256SS*.SBendtrans-71.4-31.8-179.200000112.5
255N63.4Low79.5Confident135 Ų13551 Ų5172%0.72227%0.266SS*.SBendtrans-112.20.1-167.1-64.3-15.6000113.9
256R58.8Low79Confident79 Ų7952.3 Ų52.330%0.29827%0.27SS..  trans-97.5121.1-171.8-160.9170.8-177.3-162.4-4.9111.1S253 T258 Y262S253-R256 WeakPolarHBondContact OG-CB 3.34Å; R256-T258 PolarHBondContact O-N 2.92Å; R256-T258 VanDerWaalsContact O-N 3.13Å; R256-Y262 PolarHBondContact NH1-OH 3.45Å; R256-Y262 PolarHBondContact NH2-OH 3.25Å
257K54.2Low77.8Confident206 Ų20652.7 Ų52.790%0.89627%0.273SS*.  trans-65.8107150.1-75.1-175.2179.5178.90105.7C259K257-C259 PolarHBondContact O-N 2.96Å
258T55.9Low75.8Confident52 Ų5259.5 Ų59.532%0.31930%0.302SS..  trans-54125.2-179.940.80000108.7R256 D260R256-T258 PolarHBondContact O-N 2.92Å; R256-T258 VanDerWaalsContact O-N 3.13Å; T258-D260 PolarHBondContact O-N 3.11Å
259C64.4Low73.4Confident31 Ų3161.6 Ų61.621%0.20932%0.317CS..  trans-66121.5166.5-166.20000106.3K257 Y261 V366K257-C259 PolarHBondContact O-N 2.96Å; C259-Y261 PolarHBondContact O-N 3.44Å; C259-Y261 PolarHBondContact SG-O 3.28Å; C259-V366 WeakPolarHBondContact O-CG2 3.23Å
260D74.9Confident70.7Confident91 Ų9172.4 Ų72.449%0.48736%0.357SS..SBendtrans-70.7-14.1-176.4-62.4-30.9000112.1T258 E365 V366T258-D260 PolarHBondContact O-N 3.11Å; D260-E365 CarbonylContact O-C 3.6Å; D260-E365 WeakPolarHBondContact O-CA 3.22Å; D260-V366 PolarHBondContact O-N 3.1Å
261Y81.5Confident68.1Low119 Ų11973.7 Ų73.747%0.46737%0.371SS..EExtended strand (participates in β ladder)trans-137126.5-176.6-60.4-85.2000111.6C259 F363 R364 E365C259-Y261 PolarHBondContact O-N 3.44Å; C259-Y261 PolarHBondContact SG-O 3.28Å; Y261-F363 HydrophobicContact CD1-CB 4.33Å; Y261-R364 WeakPolarHBondContact CA-O 3.45Å; Y261-E365 HydrophobicContact CD1-CB 4.25Å; Y261-E365 HydrophobicContact CD1-CG 4.4Å; Y261-E365 HydrophobicContact CE1-CB 4.12Å; Y261-E365 HydrophobicContact CE1-CG 3.92Å
262Y82.1Confident65.2Low13 Ų1376.7 Ų76.75%0.05140%0.403CS..EExtended strand (participates in β ladder)trans-101.8115.6172.6-78-103000109.6I251 R256 I330 L345 F363 R364 V366I251-Y262 HydrophobicContact CD1-CE2 4.09Å; I251-Y262 WeakPolarHBondContact CD1-OH 3.2Å; R256-Y262 PolarHBondContact NH1-OH 3.45Å; R256-Y262 PolarHBondContact NH2-OH 3.25Å; Y262-I330 HydrophobicContact CD1-CD1 4.43Å; Y262-I330 HydrophobicContact CD2-CD1 3.37Å; Y262-I330 HydrophobicContact CD2-CG1 4.41Å; Y262-I330 HydrophobicContact CE2-CD1 3.55Å; Y262-I330 HydrophobicContact CG-CD1 3.85Å; Y262-L345 HydrophobicContact CD1-CD2 4.49Å; Y262-L345 HydrophobicContact CE1-CB 4.23Å; Y262-L345 HydrophobicContact CE1-CD2 4.12Å; Y262-L345 HydrophobicContact CE1-CG 4.32Å; Y262-F363 CarbonylContact O-C 3.51Å; Y262-F363 VanDerWaalsContact O-CA 3.25Å; Y262-F363 WeakPolarHBondContact O-CA 3.48Å; Y262-R364 PolarHBondContact N-O 3.2Å; Y262-R364 PolarHBondContact O-N 3.43Å; Y262-V366 HydrophobicContact CD2-CG2 3.77Å; Y262-V366 HydrophobicContact CE2-CG2 3.54Å
263P84.5Confident62.7Low32 Ų3279.2 Ų79.221%0.20842%0.416CS..EExtended strand (participates in β ladder)trans-63.5140.4175.325.2-33.1000111.1V301 F363P263-V301 HydrophobicContact CB-CG1 3.69Å; P263-V301 HydrophobicContact CG-CG1 3.2Å; P263-V301 WeakPolarHBondContact CG-O 3.41Å; P263-F363 HydrophobicContact CB-CD1 3.87Å; P263-F363 HydrophobicContact CB-CE1 3.83Å
264V82.1Confident60.8Low12 Ų1279.8 Ų79.87%0.07342%0.417CS..EExtended strand (participates in β ladder)trans-93.3122.2176.9-179.20000109.1Y266 I347 H349 E362 R364V264-Y266 HydrophobicContact CB-CE2 4.03Å; V264-Y266 HydrophobicContact CG1-CD2 4.37Å; V264-Y266 HydrophobicContact CG1-CE2 3.9Å; V264-Y266 VanDerWaalsContact O-CD2 3.29Å; V264-Y266 WeakPolarHBondContact O-CD2 3.47Å; V264-Y266 WeakPolarHBondContact O-CE2 3.47Å; V264-I347 WeakPolarHBondContact CA-O 3.43Å; V264-I347 HydrophobicContact CG2-CG2 4.27Å; V264-H349 HydrophobicContact CG1-CB 3.56Å; V264-E362 WeakPolarHBondContact CB-O 3.36Å; V264-E362 PolarHBondContact N-O 3.16Å; V264-R364 HydrophobicContact CG2-CG 3.91Å
265V83.1Confident59.2Low61 Ų6179.1 Ų79.137%0.3741%0.406SS..EExtended strand (participates in β ladder)trans-92.6120.7179.1-178.50000110I347 H348 H349V265-I347 PolarHBondContact N-O 3.4Å; V265-H348 CarbonylContact O-C 3.51Å; V265-H348 WeakPolarHBondContact O-CA 3.44Å; V265-H348 WeakPolarHBondContact O-CB 3.22Å; V265-H349 PolarHBondContact O-N 2.93Å
266Y73.6Confident58.3Low37 Ų3775.8 Ų75.815%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-92.6132.5-178.2-65.9-100000111.3V264 K268 H349 K351 L353 V356V264-Y266 HydrophobicContact CB-CE2 4.03Å; V264-Y266 HydrophobicContact CG1-CD2 4.37Å; V264-Y266 HydrophobicContact CG1-CE2 3.9Å; V264-Y266 VanDerWaalsContact O-CD2 3.29Å; V264-Y266 WeakPolarHBondContact O-CD2 3.47Å; V264-Y266 WeakPolarHBondContact O-CE2 3.47Å; Y266-K268 PolarHBondContact O-N 2.84Å; Y266-H349 HydrophobicContact CD1-CB 3.73Å; Y266-H349 HydrophobicContact CE1-CB 3.72Å; Y266-H349 AromaticContact CE1-CG 3.8Å; Y266-H349 AromaticContact CE1-ND1 3.95Å; Y266-H349 HydrophobicContact CG-CB 4.37Å; Y266-K351 WeakPolarHBondContact CD1-O 3.33Å; Y266-L353 HydrophobicContact CD1-CB 4.46Å; Y266-L353 HydrophobicContact CD1-CD1 3.91Å; Y266-L353 HydrophobicContact CD1-CG 4.47Å; Y266-L353 HydrophobicContact CD2-CD1 3.3Å; Y266-L353 HydrophobicContact CE1-CD1 3.93Å; Y266-L353 HydrophobicContact CE1-CG 4.34Å; Y266-L353 HydrophobicContact CE2-CD1 3.3Å; Y266-L353 HydrophobicContact CE2-CG 4.42Å; Y266-L353 HydrophobicContact CG-CD1 3.61Å; Y266-V356 HydrophobicContact CE1-CG2 4.32Å
267S63.2Low57Low23 Ų2377.1 Ų77.116%0.16141%0.406CS..PPolyproline II helixtrans-70.2124.1-179.6-164.30000111.5H349S267-H349 PolarHBondContact N-O 3.01Å
268K50.2Low56Low149 Ų14974.9 Ų74.965%0.64840%0.398SS*.  trans-83.2-6.1177-70.4-174.2179.4178.60113.9Y266 R270 R352Y266-K268 PolarHBondContact O-N 2.84Å; K268-R270 PolarHBondContact O-N 2.98Å; K268-R352 PolarHBondContact O-NH2 2.64Å
269C42.7Very low54.8Low48 Ų4880.7 Ų80.732%0.32442%0.422SS..  trans-79.3123.4-167.1-70.50000114.1G271 F291C269-G271 PolarHBondContact O-N 3.18Å; C269-F291 HydrophobicContact CB-CE1 4.32Å; C269-F291 HydrophobicContact CB-CZ 4.32Å
270R38.9Very low53.1Low226 Ų22687.1 Ų87.185%0.85345%0.454SS*.  trans-82.585.2152.9-84179.8179.5-171.6-0.1107.2K268K268-R270 PolarHBondContact O-N 2.98Å
271G40.1Very low50.9Low27 Ų2788.8 Ų88.828%0.27847%0.467SS..PPolyproline II helixtrans-94.6125172.500000109.4C269C269-G271 PolarHBondContact O-N 3.18Å
272G31.9Very low48.4Very low68 Ų6890.8 Ų90.870%0.70149%0.485SS*.PPolyproline II helixtrans-53.6138.9177.500000111.6L274G272-L274 PolarHBondContact O-N 2.97Å
273F37.7Very low45.8Very low136 Ų13695.7 Ų95.760%0.59652%0.522SS*.PPolyproline II helixtrans-58.5128.8170-160.5-101.9000107.4H220 S275 L276H220-F273 AromaticContact CE1-CD2 3.77Å; H220-F273 AromaticContact CE1-CE2 3.71Å; H220-F273 AromaticContact CE1-CG 3.97Å; H220-F273 AromaticContact CE1-CZ 3.85Å; H220-F273 AromaticContact ND1-CD2 4Å; H220-F273 AromaticContact ND1-CE1 3.93Å; H220-F273 AromaticContact ND1-CE2 3.45Å; H220-F273 WeakPolarHBondContact ND1-CE2 3.38Å; H220-F273 AromaticContact ND1-CZ 3.41Å; H220-F273 WeakPolarHBondContact ND1-CZ 3.43Å; F273-S275 PolarHBondContact O-N 3.03Å; F273-L276 HydrophobicContact CE1-CD1 4.02Å; F273-L276 HydrophobicContact CE1-CG 4.15Å; F273-L276 HydrophobicContact CZ-CD1 4.27Å
274L43.8Very low43.1Very low46 Ų4698.5 Ų98.524%0.24154%0.542CS..  trans-55.5110.4162.1-79.6166.9000106.2G272 L276G272-L274 PolarHBondContact O-N 2.97Å; L274-L276 PolarHBondContact O-N 2.88Å
275S36.9Very low40.4Very low70 Ų70104.6 Ų104.649%0.4958%0.582SS.*  trans-59.2111.3177.5176.80000107.7F273 T277F273-S275 PolarHBondContact O-N 3.03Å; S275-T277 PolarHBondContact O-N 3.04Å; S275-T277 PolarHBondContact OG-N 3.07Å; S275-T277 PolarHBondContact OG-OG1 3.15Å
276L43Very low37.8Very low66 Ų66105.5 Ų105.535%0.34659%0.591SS.*  trans-78.811.3173.4-64.5173.1000111.4Y177 F273 L274Y177-L276 HydrophobicContact CD1-CD2 3.86Å; Y177-L276 HydrophobicContact CD2-CD2 3.45Å; Y177-L276 VanDerWaalsContact CD2-CD2 3.45Å; Y177-L276 HydrophobicContact CE1-CD2 4.22Å; Y177-L276 HydrophobicContact CE2-CD2 3.83Å; Y177-L276 HydrophobicContact CG-CD2 3.47Å; Y177-L276 VanDerWaalsContact CG-CD2 3.47Å; F273-L276 HydrophobicContact CE1-CD1 4.02Å; F273-L276 HydrophobicContact CE1-CG 4.15Å; F273-L276 HydrophobicContact CZ-CD1 4.27Å; L274-L276 PolarHBondContact O-N 2.88Å
277T32.3Very low35.7Very low107 Ų107112.7 Ų112.766%0.65663%0.625SS**SBendtrans-103.8150.4-178.763.60000112S275 E279S275-T277 PolarHBondContact O-N 3.04Å; S275-T277 PolarHBondContact OG-N 3.07Å; S275-T277 PolarHBondContact OG-OG1 3.15Å; T277-E279 VanDerWaalsContact C-N 3.34Å; T277-E279 PolarHBondContact O-N 3.31Å; T277-E279 VanDerWaalsContact O-N 3.14Å
278E32.8Very low33.9Very low159 Ų159119.1 Ų119.174%0.74366%0.658SS**SBendtrans-75.910.3-156.2-75.8-176141.200118K180K180-E278 IonicContact NZ-OE1 2.65Å; K180-E278 PolarHBondContact NZ-OE1 2.97Å
279E30.6Very low32.8Very low174 Ų174116.4 Ų116.481%0.81366%0.663SS**  trans-12091.2-171.3-67.7-176.3170.600111.8T277T277-E279 VanDerWaalsContact C-N 3.34Å; T277-E279 PolarHBondContact O-N 3.31Å; T277-E279 VanDerWaalsContact O-N 3.14Å
280D29.3Very low31.9Very low165 Ų165119.8 Ų119.888%0.88268%0.683SS**  trans-157.471.1152-95.7-28.5000109.1
281V28.9Very low31.3Very low127 Ų127113.8 Ų113.877%0.7766%0.663SS**SBendtrans-124.9115.3162.7-177.20000105.9
282L28.8Very low30.6Very low161 Ų161116.4 Ų116.484%0.84368%0.677SS**SBendtrans82.788.9175.9-57139.6000116.5
283S28.5Very low30.4Very low116 Ų116117 Ų11781%0.81167%0.668SS**  149.6139.2123.160.80000113.8
284S26.2Very low29.8Very low91 Ų91117 Ų11764%0.63667%0.673SS**  trans82.8111.1170.975.20000119S286S284-S286 PolarHBondContact O-N 3.42Å
285P26.9Very low29.1Very low140 Ų140119.5 Ų119.591%0.90969%0.69SS**  trans-87.477.1165.234-27.2000109.1
286S28.3Very low28.8Very low80 Ų80122.8 Ų122.856%0.55970%0.698SS**  trans-160.156.1175.564.80000114.6S284S284-S286 PolarHBondContact O-N 3.42Å
287H28.3Very low28.1Very low187 Ų187127.4 Ų127.487%0.86672%0.715SS**  trans-144.679.1152.8-85.4-59.5000109.7A289H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact O-N 2.93Å
288N25.3Very low28.3Very low159 Ų159126.5 Ų126.585%0.8571%0.711SS**  trans-64.891.4161.2-79.9-16.4000108T290N288-T290 PolarHBondContact O-N 3.35Å; N288-T290 PolarHBondContact O-OG1 2.94Å
289A27Very low28.2Very low92 Ų92122.1 Ų122.176%0.7670%0.702SS**  trans-71.985.4159.700000107.2H287 F291H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact O-N 2.93Å; A289-F291 PolarHBondContact O-N 2.85Å
290T24.3Very low28.2Very low119 Ų119121 Ų12173%0.7370%0.702SS**  trans-60.2103.6177.2-19.20000108.7N288 S292N288-T290 PolarHBondContact O-N 3.35Å; N288-T290 PolarHBondContact O-OG1 2.94Å; T290-S292 VanDerWaalsContact C-N 3.3Å; T290-S292 PolarHBondContact O-N 3.39Å
291F27.5Very low28.7Very low100 Ų100116.7 Ų116.744%0.43968%0.681SS.*  trans-69.592.3164.4-125.4-91.3000106.7C269 A289 P293C269-F291 HydrophobicContact CB-CE1 4.32Å; C269-F291 HydrophobicContact CB-CZ 4.32Å; A289-F291 PolarHBondContact O-N 2.85Å; F291-P293 WeakPolarHBondContact O-CD 3.47Å
292S23.7Very low29.1Very low82 Ų82113.6 Ų113.657%0.57366%0.664SS**  trans-86.8104.2166.1-63.80000107.3T290 I294T290-S292 VanDerWaalsContact C-N 3.3Å; T290-S292 PolarHBondContact O-N 3.39Å; S292-I294 VanDerWaalsContact C-N 3.34Å; S292-I294 PolarHBondContact O-N 2.99Å
293P28.1Very low29.4Very low80 Ų80111.3 Ų111.352%0.51965%0.652SS.*  trans-69.7102.1166.231.3-30000105.4F291 V295F291-P293 WeakPolarHBondContact O-CD 3.47Å; P293-V295 HydrophobicContact CB-CG2 3.88Å; P293-V295 HydrophobicContact CG-CG2 4.29Å; P293-V295 PolarHBondContact O-N 3.14Å
294I25.7Very low29.4Very low135 Ų135113 Ų11369%0.69265%0.652SS**  trans-6984.6158.6-60.6177.6000105.1S292 H296S292-I294 VanDerWaalsContact C-N 3.34Å; S292-I294 PolarHBondContact O-N 2.99Å; I294-H296 VanDerWaalsContact C-N 3.35Å; I294-H296 PolarHBondContact O-N 3.33Å; I294-H296 VanDerWaalsContact O-N 3.09Å
295V28.6Very low29.6Very low100 Ų100111.8 Ų111.861%0.60665%0.654SS**  trans-68.996.2167.2-179.10000105.4P293 K297P293-V295 HydrophobicContact CB-CG2 3.88Å; P293-V295 HydrophobicContact CG-CG2 4.29Å; P293-V295 PolarHBondContact O-N 3.14Å; V295-K297 PolarHBondContact O-N 3.4Å
296H29.9Very low30.1Very low139 Ų139114.3 Ų114.364%0.64465%0.654SS**  trans-62.7114.9144.2-77.3-73.1000104.8I294 P298I294-H296 VanDerWaalsContact C-N 3.35Å; I294-H296 PolarHBondContact O-N 3.33Å; I294-H296 VanDerWaalsContact O-N 3.09Å; H296-P298 WeakPolarHBondContact O-CD 3.27Å; H296-P298 VanDerWaalsContact O-N 3.16Å
297K29.2Very low31.1Very low162 Ų162114.2 Ų114.270%0.70465%0.646SS**  trans-46.6126.1170.8-78179.7173.9179.10106.9V295 A299V295-K297 PolarHBondContact O-N 3.4Å; K297-A299 HydrophobicContact CB-CB 4.06Å; K297-A299 PolarHBondContact O-N 3.47Å
298P36.2Very low32.2Very low89 Ų89114.1 Ų114.158%0.57865%0.646SS**THydrogen-bonded Turntrans-7126.6171.129.4-31.6000111.8H296H296-P298 WeakPolarHBondContact O-CD 3.27Å; H296-P298 VanDerWaalsContact O-N 3.16Å
299A30.1Very low34.3Very low67 Ų67107.8 Ų107.855%0.55462%0.619SS**THydrogen-bonded Turntrans-78.3-26.8179.700000112.1K297K297-A299 HydrophobicContact CB-CB 4.06Å; K297-A299 PolarHBondContact O-N 3.47Å
300D31.3Very low37.2Very low151 Ų151107.8 Ų107.881%0.80760%0.603SS**SBendtrans-105.98-174-62.2-32.7000114.1
301V40.3Very low40.3Very low74 Ų74102.5 Ų102.545%0.44857%0.571SS.*SBendtrans-114.29.9-178.8-174.30000111.8P263P263-V301 HydrophobicContact CB-CG1 3.69Å; P263-V301 HydrophobicContact CG-CG1 3.2Å; P263-V301 WeakPolarHBondContact CG-O 3.41Å
302C37.3Very low43.5Very low61 Ų6198.3 Ų98.341%0.41255%0.553SS.*SBendtrans-92.8101.9158.9-78.50000108.5N304 L307C302-N304 PolarHBondContact O-N 2.84Å; C302-L307 HydrophobicContact CB-CD1 4.16Å
303L34.5Very low46.9Very low113 Ų11394.5 Ų94.559%0.59253%0.526SS*.  trans-61.5101.8164.7-82.1158.1000108.9
304N27.8Very low50.2Low153 Ų15390.7 Ų90.782%0.81850%0.501SS*.SBendtrans68.7115.9158.6-59.4-21.6000119C302C302-N304 PolarHBondContact O-N 2.84Å
305G31.3Very low53.6Low65 Ų6584.3 Ų84.367%0.6747%0.468SS*.SBendtrans113.8126.4154.600000114.4L307G305-L307 PolarHBondContact O-N 3.31Å
306E37Very low56.8Low193 Ų19379.5 Ų79.590%0.90244%0.439SS*.  trans-35.3116.8176.2-66.2164.4160.800113E308E306-E308 PolarHBondContact O-N 2.95Å
307L48.8Very low59.7Low77 Ų7773 Ų7340%0.40341%0.409SS..  trans-81.640.5-174.6-72.8140.3000113C302 G305 K344C302-L307 HydrophobicContact CB-CD1 4.16Å; G305-L307 PolarHBondContact O-N 3.31Å; L307-K344 HydrophobicContact CB-CD 4.41Å; L307-K344 VanDerWaalsContact CB-CE 3.5Å; L307-K344 HydrophobicContact CD1-CD 3.95Å; L307-K344 HydrophobicContact CD2-CD 3.98Å; L307-K344 HydrophobicContact CD2-CG 3.96Å; L307-K344 HydrophobicContact CG-CD 4.34Å
308E53Low62.5Low186 Ų18666.4 Ų66.487%0.86938%0.382SS*.  trans-108.596.6172.4-69.9-169.1171.700108.6E306E306-E308 PolarHBondContact O-N 2.95Å
309G69.5Low65Low26 Ų2662.9 Ų62.927%0.26836%0.361SS..SBendtrans-172.3155.5179.100000114.8
310E87Confident67.7Low91 Ų9159.8 Ų59.843%0.42534%0.335SS..  trans-65131.1175-51.3-174.517000110.4L14 C15 S253L14-E310 WeakPolarHBondContact O-CG 3.25Å; C15-E310 HydrophobicContact CB-CB 4.36Å; S253-E310 PolarHBondContact OG-O 2.87Å
311A90.4Very high70.5Confident8 Ų852.6 Ų52.67%0.06630%0.296CS..EExtended strand (participates in β ladder)trans-142.7145.4178.800000111.3Y13 Y313Y13-A311 PolarHBondContact N-O 3.06Å; Y13-A311 PolarHBondContact O-N 3.49Å; Y13-A311 VanDerWaalsContact O-N 3.07Å; A311-Y313 HydrophobicContact CB-CE2 3.78Å
312E94.3Very high73Confident12 Ų1249.1 Ų49.16%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-127.7133.1174-70169107.200109.7Y10 L11 N12 C15 R17 R252 F314Y10-E312 HydrophobicContact CE2-CB 4.12Å; Y10-E312 HydrophobicContact CE2-CG 4.09Å; Y10-E312 PolarHBondContact OH-OE1 3.38Å; L11-E312 CarbonylContact O-C 3.56Å; L11-E312 VanDerWaalsContact O-CA 3.27Å; L11-E312 WeakPolarHBondContact O-CA 3.47Å; N12-E312 HydrophobicContact CB-CG 4.28Å; C15-E312 HydrophobicContact CB-CG 4.31Å; R17-E312 IonicContact CZ-OE1 3.03Å; R17-E312 IonicContact NE-OE1 2.95Å; R17-E312 IonicContact NH2-OE1 3.63Å; R17-E312 PolarHBondContact NH2-OE1 3.42Å; R252-E312 HydrophobicContact CB-CB 4.28Å; R252-E312 IonicContact CZ-OE1 3.27Å; R252-E312 IonicContact CZ-OE2 2.72Å; R252-E312 PolarHBondContact N-O 3.37Å; R252-E312 IonicContact NE-OE2 3.43Å; R252-E312 PolarHBondContact NE-OE2 3.06Å; R252-E312 IonicContact NH2-OE1 3.8Å; R252-E312 PolarHBondContact NH2-OE1 3.39Å; R252-E312 IonicContact NH2-OE2 3.12Å; R252-E312 PolarHBondContact NH2-OE2 2.96Å; R252-E312 PolarHBondContact O-N 2.92Å; E312-F314 HydrophobicContact CB-CE2 3.85Å; E312-F314 HydrophobicContact CB-CZ 4.11Å
313Y95.7Very high75.5Confident3 Ų346.6 Ų46.61%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-122.5139-178.9-60.9-86.7000110.6Y10 L11 V249 G250 I251 A311 I340 G343 L345Y10-Y313 WeakPolarHBondContact CA-O 3.47Å; L11-Y313 HydrophobicContact CD2-CD2 4.08Å; L11-Y313 PolarHBondContact N-O 2.95Å; L11-Y313 PolarHBondContact O-N 3.4Å; V249-Y313 HydrophobicContact CG1-CD1 4.35Å; G250-Y313 WeakPolarHBondContact O-CA 3.3Å; I251-Y313 HydrophobicContact CG1-CD1 4.01Å; I251-Y313 HydrophobicContact CG1-CE1 4.12Å; I251-Y313 HydrophobicContact CG2-CD1 4.47Å; I251-Y313 HydrophobicContact CG2-CE1 4.17Å; A311-Y313 HydrophobicContact CB-CE2 3.78Å; Y313-I340 HydrophobicContact CD1-CD1 3.99Å; Y313-I340 HydrophobicContact CD2-CD1 3.63Å; Y313-I340 HydrophobicContact CD2-CG1 4.48Å; Y313-I340 HydrophobicContact CD2-CG2 4.43Å; Y313-I340 HydrophobicContact CE2-CD1 4.26Å; Y313-I340 HydrophobicContact CE2-CG2 4.28Å; Y313-I340 HydrophobicContact CG-CD1 3.44Å; Y313-I340 VanDerWaalsContact CG-CD1 3.44Å; Y313-I340 HydrophobicContact CG-CG1 4.46Å; Y313-G343 WeakPolarHBondContact CE2-O 3.17Å; Y313-G343 PolarHBondContact OH-O 2.92Å; Y313-L345 HydrophobicContact CD1-CB 4.42Å; Y313-L345 HydrophobicContact CD1-CD2 4.46Å; Y313-L345 HydrophobicContact CE1-CB 3.67Å; Y313-L345 HydrophobicContact CE1-CD2 4.21Å
314F96.8Very high78.1Confident0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-127.7103.4-176.3-56.7-93.4000109.4F8 A9 Y10 I25 V249 G250 R252 E312 V322 H325 T326F8-F314 HydrophobicContact CE2-CD1 4.42Å; F8-F314 HydrophobicContact CZ-CD1 4.01Å; A9-F314 CarbonylContact O-C 3.52Å; A9-F314 VanDerWaalsContact O-CA 3.32Å; A9-F314 WeakPolarHBondContact O-CA 3.48Å; Y10-F314 AromaticContact CD2-CD1 3.75Å; Y10-F314 HydrophobicContact CD2-CD1 3.75Å; Y10-F314 AromaticContact CD2-CE1 3.33Å; Y10-F314 HydrophobicContact CD2-CE1 3.33Å; Y10-F314 AromaticContact CD2-CZ 3.82Å; Y10-F314 HydrophobicContact CD2-CZ 3.82Å; Y10-F314 HydrophobicContact CE2-CD1 4.39Å; Y10-F314 AromaticContact CE2-CE1 3.55Å; Y10-F314 HydrophobicContact CE2-CE1 3.55Å; Y10-F314 HydrophobicContact CE2-CE2 4.48Å; Y10-F314 AromaticContact CE2-CZ 3.6Å; Y10-F314 HydrophobicContact CE2-CZ 3.6Å; Y10-F314 HydrophobicContact CG-CE1 4.39Å; I25-F314 HydrophobicContact CG2-CE1 4.2Å; V249-F314 CarbonylContact C-O 3.28Å; V249-F314 WeakPolarHBondContact CA-O 3.47Å; G250-F314 PolarHBondContact N-O 3.28Å; G250-F314 PolarHBondContact O-N 3.18Å; R252-F314 HydrophobicContact CB-CE2 4.03Å; E312-F314 HydrophobicContact CB-CE2 3.85Å; E312-F314 HydrophobicContact CB-CZ 4.11Å; F314-V322 HydrophobicContact CB-CG1 4.19Å; F314-V322 HydrophobicContact CB-CG2 4.11Å; F314-H325 HydrophobicContact CD1-CB 4.07Å; F314-H325 AromaticContact CD1-CD2 3.64Å; F314-H325 AromaticContact CD1-CG 3.92Å; F314-H325 HydrophobicContact CD2-CB 4.25Å; F314-H325 HydrophobicContact CE1-CB 3.64Å; F314-H325 AromaticContact CE1-CD2 3.51Å; F314-H325 AromaticContact CE1-CG 3.4Å; F314-H325 AromaticContact CE1-ND1 3.91Å; F314-H325 HydrophobicContact CE2-CB 3.86Å; F314-H325 HydrophobicContact CG-CB 4.36Å; F314-H325 HydrophobicContact CZ-CB 3.54Å; F314-H325 AromaticContact CZ-CG 3.77Å; F314-T326 HydrophobicContact CD2-CG2 4.27Å
315F97.1Very high81.2Confident0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-86.8134.2171.7-63.1-99.1000109.2F8 A9 V228 L238 A240 L248 V249 A338 I340F8-F315 CarbonylContact C-O 3.59Å; F8-F315 VanDerWaalsContact CA-O 3.28Å; F8-F315 WeakPolarHBondContact CA-O 3.43Å; A9-F315 HydrophobicContact CB-CB 4.13Å; A9-F315 HydrophobicContact CB-CD2 4.45Å; A9-F315 PolarHBondContact N-O 3.1Å; A9-F315 PolarHBondContact O-N 3.1Å; V228-F315 HydrophobicContact CG2-CB 4.04Å; V228-F315 HydrophobicContact CG2-CG 4.44Å; L238-F315 HydrophobicContact CB-CE2 4.34Å; L238-F315 HydrophobicContact CD1-CD2 4.18Å; L238-F315 HydrophobicContact CD1-CE2 4.12Å; A240-F315 HydrophobicContact CB-CD1 3.44Å; A240-F315 VanDerWaalsContact CB-CD1 3.44Å; A240-F315 HydrophobicContact CB-CE1 3.4Å; A240-F315 VanDerWaalsContact CB-CE1 3.4Å; A240-F315 HydrophobicContact CB-CG 4.32Å; A240-F315 HydrophobicContact CB-CZ 4.26Å; L248-F315 WeakPolarHBondContact O-CA 3.45Å; V249-F315 HydrophobicContact CB-CD1 4.41Å; V249-F315 HydrophobicContact CB-CE1 4.26Å; V249-F315 HydrophobicContact CG1-CD1 4.31Å; V249-F315 HydrophobicContact CG1-CE1 3.96Å; V249-F315 HydrophobicContact CG1-CE2 4.38Å; V249-F315 HydrophobicContact CG1-CZ 4Å; V249-F315 HydrophobicContact CG2-CD1 3.59Å; V249-F315 HydrophobicContact CG2-CE1 3.36Å; V249-F315 HydrophobicContact CG2-CZ 4.2Å; F315-A338 HydrophobicContact CE1-CB 4.07Å; F315-I340 HydrophobicContact CE2-CD1 3.47Å; F315-I340 VanDerWaalsContact CE2-CD1 3.47Å; F315-I340 HydrophobicContact CE2-CG1 4.4Å; F315-I340 HydrophobicContact CZ-CD1 3.68Å; F315-I340 HydrophobicContact CZ-CG1 4.16Å
316A94.9Very high84Confident0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-147.1149.8175.600000112.1I7 F8 L247 L248 D318 A321 V322I7-A316 VanDerWaalsContact O-CA 3.28Å; I7-A316 WeakPolarHBondContact O-CA 3.4Å; F8-A316 HydrophobicContact CD2-CB 4.14Å; L247-A316 WeakPolarHBondContact CA-O 3.26Å; L248-A316 HydrophobicContact CD1-CB 4.31Å; L248-A316 PolarHBondContact N-O 2.89Å; L248-A316 PolarHBondContact O-N 3.13Å; A316-D318 VanDerWaalsContact CB-O 3.29Å; A316-D318 WeakPolarHBondContact CB-O 3.25Å; A316-D318 PolarHBondContact O-N 3.45Å; A316-A321 HydrophobicContact CB-CB 4.16Å; A316-V322 HydrophobicContact CB-CG2 3.47Å; A316-V322 VanDerWaalsContact CB-CG2 3.47Å
317S91.6Very high86.6Confident2 Ų231.2 Ų31.21%0.01416%0.16CC..SBendtrans-78.3-7.2168.757.70000113.3G6 I7 R36 N165 P246G6-S317 WeakPolarHBondContact CA-OG 3.4Å; I7-S317 PolarHBondContact N-OG 3.39Å; I7-S317 PolarHBondContact O-N 3.37Å; R36-S317 PolarHBondContact NH1-O 3.15Å; R36-S317 PolarHBondContact NH2-O 3.11Å; N165-S317 WeakPolarHBondContact ND2-CB 3.44Å; N165-S317 PolarHBondContact ND2-OG 3.01Å; P246-S317 WeakPolarHBondContact CB-O 3.31Å; P246-S317 WeakPolarHBondContact O-CA 3.45Å; P246-S317 WeakPolarHBondContact O-CB 3.45Å
318D87.6Confident88.6Confident23 Ų2330 Ų3012%0.12315%0.152CC..SBendtrans-149.8141.9179.4-166-74.3000111.3L33 Y35 R36 A316 S320 A321L33-D318 HydrophobicContact CD2-CB 3.48Å; L33-D318 VanDerWaalsContact CD2-CB 3.48Å; Y35-D318 PolarHBondContact OH-OD2 2.54Å; R36-D318 IonicContact CZ-OD2 3.42Å; R36-D318 IonicContact NE-OD2 2.86Å; R36-D318 PolarHBondContact NE-OD2 2.87Å; R36-D318 IonicContact NH2-OD2 3.51Å; R36-D318 PolarHBondContact NH2-OD2 3.26Å; A316-D318 VanDerWaalsContact CB-O 3.29Å; A316-D318 WeakPolarHBondContact CB-O 3.25Å; A316-D318 PolarHBondContact O-N 3.45Å; D318-S320 PolarHBondContact O-N 2.98Å; D318-S320 WeakPolarHBondContact OD1-CB 3.48Å; D318-S320 PolarHBondContact OD1-N 3.33Å; D318-S320 PolarHBondContact OD1-OG 3.28Å; D318-A321 PolarHBondContact O-N 2.86Å
319A88.3Confident90.4Very high16 Ų1621.1 Ų21.113%0.13211%0.111CC..G310 helixtrans-64.6-24.7-178.900000113.6L248 A321 V322 I323 L369 M371L248-A319 HydrophobicContact CD2-CB 3.89Å; A319-A321 PolarHBondContact O-N 3.24Å; A319-V322 PolarHBondContact O-N 3.43Å; A319-I323 PolarHBondContact O-N 3.08Å; A319-L369 HydrophobicContact CB-CD1 3.82Å; A319-L369 HydrophobicContact CB-CD2 4.23Å; A319-M371 HydrophobicContact CB-CE 3.94Å
320S86.8Confident91.5Very high2 Ų219.9 Ų19.91%0.01410%0.098CC..G310 helixtrans-59.9-27178.555.70000114D318D318-S320 PolarHBondContact O-N 2.98Å; D318-S320 WeakPolarHBondContact OD1-CB 3.48Å; D318-S320 PolarHBondContact OD1-N 3.33Å; D318-S320 PolarHBondContact OD1-OG 3.28Å
321A90.4Very high91.6Very high0 Ų017.4 Ų17.40%09%0.086CC..G310 helixtrans-83.1-14.2176.100000113.6F8 R32 L33 A316 D318 A319F8-A321 HydrophobicContact CD2-CB 3.7Å; F8-A321 HydrophobicContact CE2-CB 4.02Å; F8-A321 VanDerWaalsContact CE2-O 3.29Å; F8-A321 WeakPolarHBondContact CE2-O 3.41Å; R32-A321 HydrophobicContact CB-CB 4.17Å; L33-A321 HydrophobicContact CD1-CB 4.18Å; L33-A321 HydrophobicContact CD2-CB 3.93Å; L33-A321 HydrophobicContact CG-CB 3.9Å; A316-A321 HydrophobicContact CB-CB 4.16Å; D318-A321 PolarHBondContact O-N 2.86Å; A319-A321 PolarHBondContact O-N 3.24Å
322V92.3Very high91.7Very high0 Ų017 Ų170%08%0.082CC..THydrogen-bonded Turntrans-105.1-30.3-174.6178.10000112.1L248 F314 A316 A319 E324 H325 T326 V329L248-V322 HydrophobicContact CD1-CB 4.26Å; L248-V322 HydrophobicContact CD1-CG1 4.49Å; L248-V322 HydrophobicContact CD1-CG2 3.67Å; F314-V322 HydrophobicContact CB-CG1 4.19Å; F314-V322 HydrophobicContact CB-CG2 4.11Å; A316-V322 HydrophobicContact CB-CG2 3.47Å; A316-V322 VanDerWaalsContact CB-CG2 3.47Å; A319-V322 PolarHBondContact O-N 3.43Å; V322-E324 PolarHBondContact O-N 3.01Å; V322-E324 VanDerWaalsContact O-N 3.07Å; V322-H325 WeakPolarHBondContact O-CA 3.48Å; V322-H325 PolarHBondContact O-N 3.34Å; V322-T326 HydrophobicContact CG1-CG2 3.64Å; V322-T326 PolarHBondContact O-N 3.06Å; V322-V329 HydrophobicContact CG1-CG1 3.92Å
323I90.3Very high91.4Very high8 Ų818.7 Ų18.74%0.0419%0.09CC..THydrogen-bonded Turntrans-59.6-25.8-171.3-165.165.9000114.5A319 H325 T326 K327 L369 M371 I373 L376A319-I323 PolarHBondContact O-N 3.08Å; I323-H325 PolarHBondContact O-N 3.33Å; I323-T326 WeakPolarHBondContact CA-O 3.31Å; I323-K327 HydrophobicContact CD1-CG 3.9Å; I323-L369 HydrophobicContact CD1-CB 3.71Å; I323-L369 HydrophobicContact CD1-CD1 3.81Å; I323-L369 HydrophobicContact CD1-CG 4.43Å; I323-M371 HydrophobicContact CB-CE 3.8Å; I323-M371 HydrophobicContact CD1-CB 4.33Å; I323-M371 HydrophobicContact CD1-CE 4.41Å; I323-M371 WeakPolarHBondContact CD1-O 3.33Å; I323-M371 HydrophobicContact CG1-CB 4.45Å; I323-M371 HydrophobicContact CG1-CE 4.02Å; I323-M371 HydrophobicContact CG2-CE 3.93Å; I323-I373 HydrophobicContact CG1-CG1 4.44Å; I323-I373 HydrophobicContact CG2-CG1 4.22Å; I323-L376 HydrophobicContact CG2-CD1 3.49Å; I323-L376 VanDerWaalsContact CG2-CD1 3.49Å
324E89.7Confident91Very high49 Ų4920.2 Ų20.223%0.22910%0.099CC..THydrogen-bonded Turntrans-75.3-15.5176.269.4-173.3172.600113.4R32 V322 I373R32-E324 IonicContact CZ-OE2 3.91Å; R32-E324 IonicContact NE-OE2 2.77Å; R32-E324 PolarHBondContact NE-OE2 3.26Å; R32-E324 IonicContact NH2-OE2 3.9Å; R32-E324 PolarHBondContact NH2-OE2 3.29Å; V322-E324 PolarHBondContact O-N 3.01Å; V322-E324 VanDerWaalsContact O-N 3.07Å; E324-I373 HydrophobicContact CB-CD1 4.14Å
325H92.2Very high90.6Very high32 Ų3221.8 Ų21.815%0.14811%0.107CC..THydrogen-bonded Turntrans-106.4-40.7179.4-57.7-60.8000112.6R252 F314 V322 I323R252-H325 WeakPolarHBondContact CD-O 3.43Å; F314-H325 HydrophobicContact CD1-CB 4.07Å; F314-H325 AromaticContact CD1-CD2 3.64Å; F314-H325 AromaticContact CD1-CG 3.92Å; F314-H325 HydrophobicContact CD2-CB 4.25Å; F314-H325 HydrophobicContact CE1-CB 3.64Å; F314-H325 AromaticContact CE1-CD2 3.51Å; F314-H325 AromaticContact CE1-CG 3.4Å; F314-H325 AromaticContact CE1-ND1 3.91Å; F314-H325 HydrophobicContact CE2-CB 3.86Å; F314-H325 HydrophobicContact CG-CB 4.36Å; F314-H325 HydrophobicContact CZ-CB 3.54Å; F314-H325 AromaticContact CZ-CG 3.77Å; V322-H325 WeakPolarHBondContact O-CA 3.48Å; V322-H325 PolarHBondContact O-N 3.34Å; I323-H325 PolarHBondContact O-N 3.33Å
326T91.4Very high90.4Very high17 Ų1721.8 Ų21.810%0.10411%0.107CC..  trans-158.4149.1-179.3-176.50000112.1I251 F314 V322 I323 Q328I251-T326 WeakPolarHBondContact O-CB 3.43Å; I251-T326 PolarHBondContact O-OG1 2.86Å; F314-T326 HydrophobicContact CD2-CG2 4.27Å; V322-T326 HydrophobicContact CG1-CG2 3.64Å; V322-T326 PolarHBondContact O-N 3.06Å; I323-T326 WeakPolarHBondContact CA-O 3.31Å; T326-Q328 PolarHBondContact OG1-N 3.32Å; T326-Q328 VanDerWaalsContact OG1-N 3.11Å
327K90.1Very high90.4Very high103 Ų10321.8 Ų21.845%0.44811%0.107SC..SBendtrans-91.1-14.5170.6-63.5-169.7174.6-1720112.9I323 S368 L369I323-K327 HydrophobicContact CD1-CG 3.9Å; K327-S368 WeakPolarHBondContact O-CA 3.36Å; K327-L369 PolarHBondContact O-N 2.97Å
328Q90.6Very high90.6Very high52 Ų5221.7 Ų21.724%0.24311%0.107CC..EExtended strand (participates in β ladder)trans-87.3110.7-176.2-62.3-63.7-41.500109.1G250 I251 T326 V366G250-Q328 WeakPolarHBondContact CA-O 3.32Å; I251-Q328 PolarHBondContact N-O 2.94Å; T326-Q328 PolarHBondContact OG1-N 3.32Å; T326-Q328 VanDerWaalsContact OG1-N 3.11Å; Q328-V366 HydrophobicContact CB-CG1 3.96Å; Q328-V366 VanDerWaalsContact OE1-CG1 3.25Å
329V91.6Very high91Very high0 Ų020.8 Ų20.80%010%0.102CC..EExtended strand (participates in β ladder)trans-131.7149.4-177.1-57.10000112.3L248 V249 V322 F331 Q367 L369L248-V329 HydrophobicContact CD1-CB 4.31Å; L248-V329 HydrophobicContact CD1-CG1 4.13Å; V249-V329 CarbonylContact O-C 3.19Å; V249-V329 VanDerWaalsContact O-CA 3.27Å; V249-V329 WeakPolarHBondContact O-CA 3.44Å; V322-V329 HydrophobicContact CG1-CG1 3.92Å; V329-F331 HydrophobicContact CG2-CD2 4.23Å; V329-F331 HydrophobicContact CG2-CE2 3.69Å; V329-F331 HydrophobicContact CG2-CZ 4.07Å; V329-Q367 PolarHBondContact N-O 3.42Å; V329-Q367 PolarHBondContact O-N 3.22Å; V329-L369 HydrophobicContact CG1-CD1 3.64Å; V329-L369 HydrophobicContact CG1-CG 4.09Å; V329-L369 HydrophobicContact CG2-CD1 4.08Å; V329-L369 HydrophobicContact CG2-CD2 3.74Å; V329-L369 HydrophobicContact CG2-CG 3.69Å
330I92.1Very high91.3Very high0 Ų020.1 Ų20.10%010%0.096CC..EExtended strand (participates in β ladder)trans-111.2120.5168.7-56.9172.3000107.5L248 V249 I251 Y262 L345 I347 R364 V366L248-I330 CarbonylContact C-O 3.26Å; L248-I330 WeakPolarHBondContact CA-O 3.43Å; L248-I330 WeakPolarHBondContact CB-O 3.03Å; V249-I330 PolarHBondContact N-O 3.16Å; V249-I330 PolarHBondContact O-N 2.81Å; I251-I330 HydrophobicContact CD1-CD1 3.66Å; I251-I330 HydrophobicContact CD1-CG1 4.24Å; Y262-I330 HydrophobicContact CD1-CD1 4.43Å; Y262-I330 HydrophobicContact CD2-CD1 3.37Å; Y262-I330 HydrophobicContact CD2-CG1 4.41Å; Y262-I330 HydrophobicContact CE2-CD1 3.55Å; Y262-I330 HydrophobicContact CG-CD1 3.85Å; I330-L345 HydrophobicContact CD1-CD2 3.91Å; I330-I347 HydrophobicContact CD1-CD1 4.42Å; I330-I347 HydrophobicContact CG2-CD1 3.99Å; I330-R364 HydrophobicContact CG2-CB 3.63Å; I330-R364 HydrophobicContact CG2-CG 4.39Å; I330-V366 HydrophobicContact CD1-CG2 4.1Å; I330-V366 HydrophobicContact CG1-CB 4.49Å; I330-V366 HydrophobicContact CG1-CG2 3.86Å
331F90.2Very high91.5Very high38 Ų3822.7 Ų22.717%0.16711%0.108CC..EExtended strand (participates in β ladder)trans-81.4121.4170.2-69.2-83.2000109L248 V329 L369L248-F331 HydrophobicContact CB-CD1 4.01Å; L248-F331 HydrophobicContact CB-CE1 4.37Å; L248-F331 HydrophobicContact CD2-CD1 4.05Å; L248-F331 HydrophobicContact CD2-CE1 3.57Å; L248-F331 HydrophobicContact CD2-CZ 4.25Å; V329-F331 HydrophobicContact CG2-CD2 4.23Å; V329-F331 HydrophobicContact CG2-CE2 3.69Å; V329-F331 HydrophobicContact CG2-CZ 4.07Å; F331-L369 HydrophobicContact CE2-CD2 4.33Å; F331-L369 HydrophobicContact CZ-CD2 4.03Å
332L91.2Very high91.4Very high0 Ų027.8 Ų27.80%014%0.135CC..PPolyproline II helixtrans-74.1146.2173.8-57.6-179.1000109.4R242 L247 V249 D336 A338 I347R242-L332 VanDerWaalsContact CD-O 3.3Å; R242-L332 WeakPolarHBondContact CD-O 3.31Å; R242-L332 HydrophobicContact CG-CB 3.97Å; L247-L332 HydrophobicContact CB-CD1 4.31Å; L247-L332 HydrophobicContact CD2-CD1 3.96Å; L247-L332 HydrophobicContact CG-CD1 4.02Å; L247-L332 WeakPolarHBondContact O-CB 3.24Å; L247-L332 PolarHBondContact O-N 2.84Å; L247-L332 VanDerWaalsContact O-N 3.11Å; V249-L332 HydrophobicContact CG2-CD1 4.19Å; V249-L332 HydrophobicContact CG2-CD2 4.15Å; V249-L332 HydrophobicContact CG2-CG 4.23Å; L332-D336 HydrophobicContact CB-CB 4.24Å; L332-D336 HydrophobicContact CD2-CB 4.41Å; L332-A338 HydrophobicContact CD1-CB 3.99Å; L332-A338 HydrophobicContact CD2-CB 4.07Å; L332-I347 HydrophobicContact CD2-CD1 4.26Å
333E88.6Confident91.1Very high48 Ų4828.1 Ų28.122%0.22414%0.139CC..PPolyproline II helixtrans-99.8170.4171.8-63.9-176.3175.600110.3R242 N335 D336 R364R242-E333 VanDerWaalsContact CG-O 3.3Å; R242-E333 WeakPolarHBondContact CG-O 3.25Å; E333-N335 PolarHBondContact O-N 3.08Å; E333-D336 PolarHBondContact N-OD2 3.49Å; E333-D336 WeakPolarHBondContact O-CB 3.16Å; E333-D336 PolarHBondContact O-N 3.24Å; E333-R364 VanDerWaalsContact CD-CZ 3.46Å; E333-R364 IonicContact OE2-CZ 3.83Å; E333-R364 IonicContact OE2-NE 3.88Å; E333-R364 IonicContact OE2-NH1 2.7Å; E333-R364 PolarHBondContact OE2-NH1 3.46Å; E333-R364 IonicContact OE2-NH2 3.68Å; E333-R364 PolarHBondContact OE2-NH2 3.02Å; E333-R364 VanDerWaalsContact OE2-NH2 3.08Å
334D86.5Confident91.1Very high34 Ų3431.7 Ų31.718%0.18215%0.154CC..THydrogen-bonded Turntrans-65.1133.6-179.7-80.66.9000110.9R242 L243 S244 D336 H349 R494R242-D334 IonicContact CZ-OD1 3.65Å; R242-D334 IonicContact NE-OD1 3.21Å; R242-D334 PolarHBondContact NE-OD1 3.15Å; R242-D334 IonicContact NH2-OD1 2.64Å; R242-D334 PolarHBondContact NH2-OD1 3.33Å; L243-D334 HydrophobicContact CD1-CB 3.91Å; S244-D334 PolarHBondContact N-OD1 3.45Å; S244-D334 PolarHBondContact N-OD2 2.87Å; S244-D334 PolarHBondContact OG-OD2 3.45Å; S244-D334 VanDerWaalsContact OG-OD2 3.08Å; D334-D336 VanDerWaalsContact C-N 3.28Å; D334-H349 PolarHBondContact O-NE2 3.43Å; D334-R494 IonicContact OD2-NH2 3.87Å
335N89.5Confident91.2Very high34 Ų3429.8 Ų29.818%0.18215%0.146CC..THydrogen-bonded Turntrans73.47.5-174.7-45.6-77.4000115.8R242 E333 M350R242-N335 PolarHBondContact O-N 3.01Å; E333-N335 PolarHBondContact O-N 3.08Å; N335-M350 HydrophobicContact CB-CB 4.19Å; N335-M350 PolarHBondContact O-N 2.86Å; N335-M350 VanDerWaalsContact O-N 3.12Å
336D93.4Very high91.2Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-69.2139.2167.6-74.1-7.7000110.6S241 L332 E333 D334 I347 H348 H349 R364S241-D336 VanDerWaalsContact CA-O 3.25Å; S241-D336 WeakPolarHBondContact CA-O 3.35Å; S241-D336 VanDerWaalsContact CB-O 3.27Å; S241-D336 WeakPolarHBondContact CB-O 3.44Å; S241-D336 PolarHBondContact OG-O 2.99Å; L332-D336 HydrophobicContact CB-CB 4.24Å; L332-D336 HydrophobicContact CD2-CB 4.41Å; E333-D336 PolarHBondContact N-OD2 3.49Å; E333-D336 WeakPolarHBondContact O-CB 3.16Å; E333-D336 PolarHBondContact O-N 3.24Å; D334-D336 VanDerWaalsContact C-N 3.28Å; D336-I347 HydrophobicContact CB-CG2 4.23Å; D336-H348 CarbonylContact C-O 3.17Å; D336-H348 WeakPolarHBondContact CA-O 3.37Å; D336-H349 IonicContact OD1-CD2 3.79Å; D336-R364 IonicContact OD1-CZ 3.91Å; D336-R364 IonicContact OD1-NE 3.5Å; D336-R364 IonicContact OD1-NH2 3.19Å; D336-R364 PolarHBondContact OD1-NH2 3.14Å; D336-R364 IonicContact OD2-CZ 3.38Å; D336-R364 IonicContact OD2-NE 2.79Å; D336-R364 PolarHBondContact OD2-NE 2.87Å; D336-R364 IonicContact OD2-NH2 3.41Å; D336-R364 PolarHBondContact OD2-NH2 2.68Å
337V95Very high91.3Very high0 Ų029.4 Ų29.40%015%0.145CC..EExtended strand (participates in β ladder)trans-122.2100.7170.4-175.50000107.7R211 E215 L218 V239 A240 H348 M350R211-V337 HydrophobicContact CG-CG1 3.99Å; E215-V337 HydrophobicContact CG-CB 4.46Å; E215-V337 HydrophobicContact CG-CG1 4.29Å; E215-V337 HydrophobicContact CG-CG2 4Å; L218-V337 HydrophobicContact CD1-CG2 4Å; V239-V337 HydrophobicContact CG1-CG1 3.69Å; A240-V337 CarbonylContact O-C 3.41Å; A240-V337 WeakPolarHBondContact O-CA 3.42Å; V337-H348 HydrophobicContact CB-CB 4.41Å; V337-H348 PolarHBondContact N-O 2.96Å; V337-H348 PolarHBondContact O-N 2.96Å; V337-M350 HydrophobicContact CG2-CG 3.84Å; V337-M350 HydrophobicContact CG2-SD 4.45Å
338A95.8Very high91.3Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-84.7123.9173.700000109.3V239 A240 F315 L332 L345 T346V239-A338 WeakPolarHBondContact CA-O 3.01Å; A240-A338 HydrophobicContact CB-CB 4.49Å; A240-A338 PolarHBondContact N-O 3.34Å; A240-A338 PolarHBondContact O-N 3.18Å; F315-A338 HydrophobicContact CE1-CB 4.07Å; L332-A338 HydrophobicContact CD1-CB 3.99Å; L332-A338 HydrophobicContact CD2-CB 4.07Å; A338-L345 HydrophobicContact CB-CD1 4.15Å; A338-T346 WeakPolarHBondContact CA-O 3.44Å
339A96Very high91.2Very high4 Ų423.2 Ų23.23%0.03312%0.118CC..EExtended strand (participates in β ladder)trans-126.1133.2178.900000110.2R211 L238 V239 T346R211-A339 HydrophobicContact CB-CB 4Å; R211-A339 HydrophobicContact CG-CB 4.11Å; L238-A339 WeakPolarHBondContact O-CA 3.09Å; V239-A339 HydrophobicContact CG2-CB 4.22Å; A339-T346 PolarHBondContact N-O 2.93Å; A339-T346 PolarHBondContact O-N 3.06Å; A339-T346 PolarHBondContact O-OG1 3.2Å
340I94.5Very high90.6Very high1 Ų124.5 Ų24.51%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-104.6113.4170.3-60.4171.9000108.1L11 E237 L238 Y313 F315 K344 L345L11-I340 HydrophobicContact CD1-CB 4.08Å; L11-I340 HydrophobicContact CD1-CD1 3.91Å; L11-I340 HydrophobicContact CD1-CG2 3.77Å; L11-I340 HydrophobicContact CD2-CG2 4.38Å; E237-I340 VanDerWaalsContact CA-O 3.29Å; E237-I340 WeakPolarHBondContact CA-O 3.43Å; E237-I340 WeakPolarHBondContact CB-O 3.41Å; L238-I340 PolarHBondContact O-N 3.33Å; Y313-I340 HydrophobicContact CD1-CD1 3.99Å; Y313-I340 HydrophobicContact CD2-CD1 3.63Å; Y313-I340 HydrophobicContact CD2-CG1 4.48Å; Y313-I340 HydrophobicContact CD2-CG2 4.43Å; Y313-I340 HydrophobicContact CE2-CD1 4.26Å; Y313-I340 HydrophobicContact CE2-CG2 4.28Å; Y313-I340 HydrophobicContact CG-CD1 3.44Å; Y313-I340 VanDerWaalsContact CG-CD1 3.44Å; Y313-I340 HydrophobicContact CG-CG1 4.46Å; F315-I340 HydrophobicContact CE2-CD1 3.47Å; F315-I340 VanDerWaalsContact CE2-CD1 3.47Å; F315-I340 HydrophobicContact CE2-CG1 4.4Å; F315-I340 HydrophobicContact CZ-CD1 3.68Å; F315-I340 HydrophobicContact CZ-CG1 4.16Å; I340-K344 WeakPolarHBondContact CA-O 3.34Å; I340-L345 HydrophobicContact CG1-CB 4.45Å; I340-L345 HydrophobicContact CG1-CD1 3.9Å
341E91.3Very high89.7Confident56 Ų5628.9 Ų28.926%0.26214%0.144SC..EExtended strand (participates in β ladder)trans-127.2128.8177.6-175.9180-178.800107.5K209 G343 K344K209-E341 VanDerWaalsContact NZ-CD 3.34Å; K209-E341 IonicContact NZ-OE1 2.93Å; K209-E341 PolarHBondContact NZ-OE1 3.04Å; K209-E341 IonicContact NZ-OE2 3.45Å; K209-E341 PolarHBondContact NZ-OE2 3.36Å; K209-E341 VanDerWaalsContact NZ-OE2 3.15Å; E341-G343 PolarHBondContact O-N 3.46Å; E341-G343 VanDerWaalsContact O-N 3.14Å; E341-K344 PolarHBondContact N-O 3.26Å; E341-K344 VanDerWaalsContact N-O 3.11Å; E341-K344 WeakPolarHBondContact O-CB 3.28Å; E341-K344 PolarHBondContact O-N 2.85Å
342D87.5Confident88.3Confident107 Ų10730.5 Ų30.557%0.57215%0.148SC*.THydrogen-bonded Turntrans49.539.1-176.9-59.3-38.1000114Y13 K344Y13-D342 PolarHBondContact OH-O 3.23Å; D342-K344 PolarHBondContact O-N 3.35Å
343G86.9Confident86.7Confident8 Ų834.7 Ų34.78%0.08217%0.171CC..THydrogen-bonded Turntrans75.42.5-178.100000115.3Y13 Y313 E341Y13-G343 VanDerWaalsContact CG-CA 3.44Å; Y313-G343 WeakPolarHBondContact CE2-O 3.17Å; Y313-G343 PolarHBondContact OH-O 2.92Å; E341-G343 PolarHBondContact O-N 3.46Å; E341-G343 VanDerWaalsContact O-N 3.14Å
344K89Confident85Confident82 Ų8239.5 Ų39.536%0.35720%0.198SC..EExtended strand (participates in β ladder)trans-101.2121.6-177.8-50.2-175.9-178.5175.10110.7L307 I340 E341 D342L307-K344 HydrophobicContact CB-CD 4.41Å; L307-K344 VanDerWaalsContact CB-CE 3.5Å; L307-K344 HydrophobicContact CD1-CD 3.95Å; L307-K344 HydrophobicContact CD2-CD 3.98Å; L307-K344 HydrophobicContact CD2-CG 3.96Å; L307-K344 HydrophobicContact CG-CD 4.34Å; I340-K344 WeakPolarHBondContact CA-O 3.34Å; E341-K344 PolarHBondContact N-O 3.26Å; E341-K344 VanDerWaalsContact N-O 3.11Å; E341-K344 WeakPolarHBondContact O-CB 3.28Å; E341-K344 PolarHBondContact O-N 2.85Å; D342-K344 PolarHBondContact O-N 3.35Å
345L91.9Very high83.7Confident10 Ų1043.4 Ų43.45%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-78.7123.2170.3178.965.8000110.5V249 I251 Y262 Y313 I330 A338 I340V249-L345 HydrophobicContact CG1-CD2 4.07Å; I251-L345 HydrophobicContact CD1-CD2 3.92Å; I251-L345 HydrophobicContact CG1-CD2 4.48Å; Y262-L345 HydrophobicContact CD1-CD2 4.49Å; Y262-L345 HydrophobicContact CE1-CB 4.23Å; Y262-L345 HydrophobicContact CE1-CD2 4.12Å; Y262-L345 HydrophobicContact CE1-CG 4.32Å; Y313-L345 HydrophobicContact CD1-CB 4.42Å; Y313-L345 HydrophobicContact CD1-CD2 4.46Å; Y313-L345 HydrophobicContact CE1-CB 3.67Å; Y313-L345 HydrophobicContact CE1-CD2 4.21Å; I330-L345 HydrophobicContact CD1-CD2 3.91Å; A338-L345 HydrophobicContact CB-CD1 4.15Å; I340-L345 HydrophobicContact CG1-CB 4.45Å; I340-L345 HydrophobicContact CG1-CD1 3.9Å
346T92.5Very high82.2Confident39 Ų3943.2 Ų43.224%0.23922%0.215CC..EExtended strand (participates in β ladder)trans-122.5144.5170.261.70000110.1A338 A339 H348A338-T346 WeakPolarHBondContact CA-O 3.44Å; A339-T346 PolarHBondContact N-O 2.93Å; A339-T346 PolarHBondContact O-N 3.06Å; A339-T346 PolarHBondContact O-OG1 3.2Å; T346-H348 WeakPolarHBondContact CB-NE2 3.48Å; T346-H348 PolarHBondContact OG1-NE2 2.74Å
347I92.4Very high80.4Confident1 Ų150.2 Ų50.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-117.2125.7178.3-57.5178.6000108.1V264 V265 I330 L332 D336 R364V264-I347 WeakPolarHBondContact CA-O 3.43Å; V264-I347 HydrophobicContact CG2-CG2 4.27Å; V265-I347 PolarHBondContact N-O 3.4Å; I330-I347 HydrophobicContact CD1-CD1 4.42Å; I330-I347 HydrophobicContact CG2-CD1 3.99Å; L332-I347 HydrophobicContact CD2-CD1 4.26Å; D336-I347 HydrophobicContact CB-CG2 4.23Å; I347-R364 HydrophobicContact CD1-CB 3.9Å; I347-R364 HydrophobicContact CD1-CG 3.82Å; I347-R364 HydrophobicContact CG2-CG 4.31Å
348H91.2Very high78.3Confident19 Ų1960.5 Ų60.59%0.08830%0.3CS..EExtended strand (participates in β ladder)trans-117.6154.6178.9-57.2-107.2000109.4R211 V265 D336 V337 T346R211-H348 WeakPolarHBondContact CD-CD2 3.44Å; R211-H348 VanDerWaalsContact CD-CG 3.5Å; R211-H348 VanDerWaalsContact CD-NE2 3.31Å; R211-H348 WeakPolarHBondContact CD-NE2 2.99Å; R211-H348 PolarHBondContact NE-CE1 3.44Å; R211-H348 PolarHBondContact NE-NE2 3.09Å; R211-H348 PolarHBondContact NH1-ND1 3.28Å; V265-H348 CarbonylContact O-C 3.51Å; V265-H348 WeakPolarHBondContact O-CA 3.44Å; V265-H348 WeakPolarHBondContact O-CB 3.22Å; D336-H348 CarbonylContact C-O 3.17Å; D336-H348 WeakPolarHBondContact CA-O 3.37Å; V337-H348 HydrophobicContact CB-CB 4.41Å; V337-H348 PolarHBondContact N-O 2.96Å; V337-H348 PolarHBondContact O-N 2.96Å; T346-H348 WeakPolarHBondContact CB-NE2 3.48Å; T346-H348 PolarHBondContact OG1-NE2 2.74Å
349H87.4Confident76.2Confident7 Ų763.6 Ų63.63%0.03233%0.332CS..EExtended strand (participates in β ladder)trans-117.4134.1174.9-166.8-82.2000110.3V264 V265 Y266 S267 D334 D336 K351 V356V264-H349 HydrophobicContact CG1-CB 3.56Å; V265-H349 PolarHBondContact O-N 2.93Å; Y266-H349 HydrophobicContact CD1-CB 3.73Å; Y266-H349 HydrophobicContact CE1-CB 3.72Å; Y266-H349 AromaticContact CE1-CG 3.8Å; Y266-H349 AromaticContact CE1-ND1 3.95Å; Y266-H349 HydrophobicContact CG-CB 4.37Å; S267-H349 PolarHBondContact N-O 3.01Å; D334-H349 PolarHBondContact O-NE2 3.43Å; D336-H349 IonicContact OD1-CD2 3.79Å; H349-K351 PolarHBondContact ND1-N 3.2Å; H349-K351 PolarHBondContact ND1-O 3.23Å; H349-V356 VanDerWaalsContact CE1-CG2 3.48Å; H349-V356 WeakPolarHBondContact CE1-CG2 3.45Å
350M80.7Confident74.3Confident27 Ų2765 Ų6513%0.13334%0.344CS..SBendtrans-70.8-38.4-174.2-70.1-16760.400114.2E215 L218 R219 N335 V337E215-M350 WeakPolarHBondContact O-CE 3.38Å; L218-M350 HydrophobicContact CB-CE 3.57Å; L218-M350 HydrophobicContact CB-SD 3.36Å; L218-M350 WeakPolarHBondContact CB-SD 3.45Å; L218-M350 HydrophobicContact CD1-SD 3.69Å; L218-M350 HydrophobicContact CG-SD 4.18Å; R219-M350 HydrophobicContact CB-CE 4.37Å; R219-M350 HydrophobicContact CG-CE 3.49Å; R219-M350 VanDerWaalsContact CG-CE 3.49Å; N335-M350 HydrophobicContact CB-CB 4.19Å; N335-M350 PolarHBondContact O-N 2.86Å; N335-M350 VanDerWaalsContact O-N 3.12Å; V337-M350 HydrophobicContact CG2-CG 3.84Å; V337-M350 HydrophobicContact CG2-SD 4.45Å
351K72.1Confident72.9Confident92 Ų9270.8 Ų70.840%0.437%0.369SS..SBendtrans-80.1154176.8-59.8-173.7176.4-177.10110.8Y266 H349 E355 V356Y266-K351 WeakPolarHBondContact CD1-O 3.33Å; H349-K351 PolarHBondContact ND1-N 3.2Å; H349-K351 PolarHBondContact ND1-O 3.23Å; K351-E355 HydrophobicContact CB-CB 4.17Å; K351-V356 HydrophobicContact CB-CG2 3.77Å
352R61Low72.1Confident71 Ų7173.3 Ų73.327%0.26838%0.381SS..  trans-69.2151.5170.5-70.9174.8162.2-155.4-12.6110.3K268 D354 E355 V356K268-R352 PolarHBondContact O-NH2 2.64Å; R352-D354 PolarHBondContact O-N 3.2Å; R352-D354 VanDerWaalsContact O-N 3.08Å; R352-E355 HydrophobicContact CB-CG 4.27Å; R352-E355 PolarHBondContact N-OE2 3.11Å; R352-E355 PolarHBondContact O-N 3.04Å; R352-V356 VanDerWaalsContact O-CG2 3.32Å; R352-V356 WeakPolarHBondContact O-CG2 3.33Å; R352-V356 PolarHBondContact O-N 3.39Å
353L58.1Low71.9Confident89 Ų8972.2 Ų72.247%0.46637%0.371SS..G310 helixtrans-49-40.2176.1-134.6109.5000111.8Y266 E355 V356Y266-L353 HydrophobicContact CD1-CB 4.46Å; Y266-L353 HydrophobicContact CD1-CD1 3.91Å; Y266-L353 HydrophobicContact CD1-CG 4.47Å; Y266-L353 HydrophobicContact CD2-CD1 3.3Å; Y266-L353 HydrophobicContact CE1-CD1 3.93Å; Y266-L353 HydrophobicContact CE1-CG 4.34Å; Y266-L353 HydrophobicContact CE2-CD1 3.3Å; Y266-L353 HydrophobicContact CE2-CG 4.42Å; Y266-L353 HydrophobicContact CG-CD1 3.61Å; L353-E355 PolarHBondContact O-N 3.21Å; L353-V356 PolarHBondContact O-N 3.17Å
354D52.5Low71.9Confident148 Ų14872.1 Ų72.179%0.79137%0.368SS*.G310 helixtrans-68.8-17.4-178.8-45.6-24.6000114.3R352R352-D354 PolarHBondContact O-N 3.2Å; R352-D354 VanDerWaalsContact O-N 3.08Å
355E58.6Low71.8Confident117 Ų11772.2 Ų72.255%0.54737%0.37SS..G310 helixtrans-101.4-0.7-179.4-68.2170.3-176.100112.6K351 R352 L353K351-E355 HydrophobicContact CB-CB 4.17Å; R352-E355 HydrophobicContact CB-CG 4.27Å; R352-E355 PolarHBondContact N-OE2 3.11Å; R352-E355 PolarHBondContact O-N 3.04Å; L353-E355 PolarHBondContact O-N 3.21Å
356V59.4Low71.5Confident30 Ų3072.2 Ų72.218%0.18237%0.37CS..SBendtrans-99.7136.2-178.1-172.10000108.7Y266 H349 K351 R352 L353 A360Y266-V356 HydrophobicContact CE1-CG2 4.32Å; H349-V356 VanDerWaalsContact CE1-CG2 3.48Å; H349-V356 WeakPolarHBondContact CE1-CG2 3.45Å; K351-V356 HydrophobicContact CB-CG2 3.77Å; R352-V356 VanDerWaalsContact O-CG2 3.32Å; R352-V356 WeakPolarHBondContact O-CG2 3.33Å; R352-V356 PolarHBondContact O-N 3.39Å; L353-V356 PolarHBondContact O-N 3.17Å; V356-A360 HydrophobicContact CB-CB 4.23Å; V356-A360 HydrophobicContact CG1-CB 3.07Å
357D55.5Low71.3Confident146 Ų14673.2 Ų73.278%0.78137%0.372SS*.  trans-50.1147.9177.2-74.1-29.6000110.7G359 A360D357-G359 PolarHBondContact O-N 3.38Å; D357-A360 PolarHBondContact O-N 2.95Å; D357-A360 VanDerWaalsContact O-N 3.17Å
358H49.8Very low71Confident216 Ų21676.3 Ų76.3100%139%0.394SS*.THydrogen-bonded Turntrans-59.324.6-176.7-71.2-58.2000116.3
359G50.8Low70.7Confident65 Ų6576.4 Ų76.467%0.6740%0.395SS*.THydrogen-bonded Turntrans-140.85.2176.400000115.6D357 K361D357-G359 PolarHBondContact O-N 3.38Å; G359-K361 PolarHBondContact O-N 3.39Å
360A57.3Low70.2Confident35 Ų3583.7 Ų83.729%0.28943%0.434SS..  trans-68128.7175.200000111.6V356 D357V356-A360 HydrophobicContact CB-CB 4.23Å; V356-A360 HydrophobicContact CG1-CB 3.07Å; D357-A360 PolarHBondContact O-N 2.95Å; D357-A360 VanDerWaalsContact O-N 3.17Å
361K65.2Low69.9Low121 Ų12183.7 Ų83.753%0.52643%0.434SS..  trans-74132.1-178.6-63179.1178.7-178.80109.4G359 F363 R364G359-K361 PolarHBondContact O-N 3.39Å; K361-F363 VanDerWaalsContact CB-O 3.3Å; K361-F363 WeakPolarHBondContact CB-O 3.37Å; K361-F363 PolarHBondContact O-N 3.06Å; K361-R364 PolarHBondContact O-NH1 3.42Å
362E74.5Confident70.4Confident110 Ų11084.3 Ų84.351%0.51444%0.439SS..SBendtrans-65.6-12.2172.2-65.1-176.7163.700113V264V264-E362 WeakPolarHBondContact CB-O 3.36Å; V264-E362 PolarHBondContact N-O 3.16Å
363F82.9Confident71.3Confident84 Ų8484.3 Ų84.337%0.36844%0.443SS..EExtended strand (participates in β ladder)trans-134.1151.4-178.3-52.7-93.1000110.7Y261 Y262 P263 K361Y261-F363 HydrophobicContact CD1-CB 4.33Å; Y262-F363 CarbonylContact O-C 3.51Å; Y262-F363 VanDerWaalsContact O-CA 3.25Å; Y262-F363 WeakPolarHBondContact O-CA 3.48Å; P263-F363 HydrophobicContact CB-CD1 3.87Å; P263-F363 HydrophobicContact CB-CE1 3.83Å; K361-F363 VanDerWaalsContact CB-O 3.3Å; K361-F363 WeakPolarHBondContact CB-O 3.37Å; K361-F363 PolarHBondContact O-N 3.06Å
364R86.8Confident72.5Confident6 Ų687.3 Ų87.32%0.02346%0.455CS..EExtended strand (participates in β ladder)trans-103.7122.8165.3-60.7-67173.5-97.21.6108.8Y261 Y262 V264 I330 E333 D336 I347 K361Y261-R364 WeakPolarHBondContact CA-O 3.45Å; Y262-R364 PolarHBondContact N-O 3.2Å; Y262-R364 PolarHBondContact O-N 3.43Å; V264-R364 HydrophobicContact CG2-CG 3.91Å; I330-R364 HydrophobicContact CG2-CB 3.63Å; I330-R364 HydrophobicContact CG2-CG 4.39Å; E333-R364 VanDerWaalsContact CD-CZ 3.46Å; E333-R364 IonicContact OE2-CZ 3.83Å; E333-R364 IonicContact OE2-NE 3.88Å; E333-R364 IonicContact OE2-NH1 2.7Å; E333-R364 PolarHBondContact OE2-NH1 3.46Å; E333-R364 IonicContact OE2-NH2 3.68Å; E333-R364 PolarHBondContact OE2-NH2 3.02Å; E333-R364 VanDerWaalsContact OE2-NH2 3.08Å; D336-R364 IonicContact OD1-CZ 3.91Å; D336-R364 IonicContact OD1-NE 3.5Å; D336-R364 IonicContact OD1-NH2 3.19Å; D336-R364 PolarHBondContact OD1-NH2 3.14Å; D336-R364 IonicContact OD2-CZ 3.38Å; D336-R364 IonicContact OD2-NE 2.79Å; D336-R364 PolarHBondContact OD2-NE 2.87Å; D336-R364 IonicContact OD2-NH2 3.41Å; D336-R364 PolarHBondContact OD2-NH2 2.68Å; I347-R364 HydrophobicContact CD1-CB 3.9Å; I347-R364 HydrophobicContact CD1-CG 3.82Å; I347-R364 HydrophobicContact CG2-CG 4.31Å; K361-R364 PolarHBondContact O-NH1 3.42Å
365E86.4Confident73.8Confident83 Ų8383.3 Ų83.339%0.38843%0.431SS..EExtended strand (participates in β ladder)trans-78.7137.6179.1-174-176.9-178.500110.4D260 Y261 Q367D260-E365 CarbonylContact O-C 3.6Å; D260-E365 WeakPolarHBondContact O-CA 3.22Å; Y261-E365 HydrophobicContact CD1-CB 4.25Å; Y261-E365 HydrophobicContact CD1-CG 4.4Å; Y261-E365 HydrophobicContact CE1-CB 4.12Å; Y261-E365 HydrophobicContact CE1-CG 3.92Å; E365-Q367 HydrophobicContact CG-CG 4.38Å; E365-Q367 PolarHBondContact O-N 3.27Å
366V87.4Confident74.9Confident11 Ų1178.1 Ų78.17%0.06741%0.407CS..EExtended strand (participates in β ladder)trans-79114.2166.7-174.30000108C259 D260 Y262 Q328 I330C259-V366 WeakPolarHBondContact O-CG2 3.23Å; D260-V366 PolarHBondContact O-N 3.1Å; Y262-V366 HydrophobicContact CD2-CG2 3.77Å; Y262-V366 HydrophobicContact CE2-CG2 3.54Å; Q328-V366 HydrophobicContact CB-CG1 3.96Å; Q328-V366 VanDerWaalsContact OE1-CG1 3.25Å; I330-V366 HydrophobicContact CD1-CG2 4.1Å; I330-V366 HydrophobicContact CG1-CB 4.49Å; I330-V366 HydrophobicContact CG1-CG2 3.86Å
367Q86.5Confident76.2Confident60 Ų6080.8 Ų80.828%0.2842%0.419SS..EExtended strand (participates in β ladder)trans-99.8138.9-179.4-63-176.93.300110.4V329 E365V329-Q367 PolarHBondContact N-O 3.42Å; V329-Q367 PolarHBondContact O-N 3.22Å; E365-Q367 HydrophobicContact CG-CG 4.38Å; E365-Q367 PolarHBondContact O-N 3.27Å
368S87.1Confident77.7Confident66 Ų6677.1 Ų77.146%0.46240%0.396SS..EExtended strand (participates in β ladder)trans-86.7120.9169.4-171.10000109.8K327 N370K327-S368 WeakPolarHBondContact O-CA 3.36Å; S368-N370 PolarHBondContact O-N 3.34Å
369L84Confident79.6Confident21 Ų2169.9 Ų69.911%0.1138%0.38CS..PPolyproline II helixtrans-70.1123.5176.5-66.8175.1000111.1A319 I323 K327 V329 F331 M371A319-L369 HydrophobicContact CB-CD1 3.82Å; A319-L369 HydrophobicContact CB-CD2 4.23Å; I323-L369 HydrophobicContact CD1-CB 3.71Å; I323-L369 HydrophobicContact CD1-CD1 3.81Å; I323-L369 HydrophobicContact CD1-CG 4.43Å; K327-L369 PolarHBondContact O-N 2.97Å; V329-L369 HydrophobicContact CG1-CD1 3.64Å; V329-L369 HydrophobicContact CG1-CG 4.09Å; V329-L369 HydrophobicContact CG2-CD1 4.08Å; V329-L369 HydrophobicContact CG2-CD2 3.74Å; V329-L369 HydrophobicContact CG2-CG 3.69Å; F331-L369 HydrophobicContact CE2-CD2 4.33Å; F331-L369 HydrophobicContact CZ-CD2 4.03Å; L369-M371 PolarHBondContact O-N 3.31Å
370N77.6Confident81.6Confident160 Ų16075 Ų7586%0.85639%0.392SS*.  trans-78.88.8172.6-70.5-22.3000113.8S368S368-N370 PolarHBondContact O-N 3.34Å
371M75.5Confident83.3Confident27 Ų2777.4 Ų77.413%0.13339%0.394CS..  trans-84.8141.9-178.9-176.3169.857.600110.9A319 I323 L369 L376 P528A319-M371 HydrophobicContact CB-CE 3.94Å; I323-M371 HydrophobicContact CB-CE 3.8Å; I323-M371 HydrophobicContact CD1-CB 4.33Å; I323-M371 HydrophobicContact CD1-CE 4.41Å; I323-M371 WeakPolarHBondContact CD1-O 3.33Å; I323-M371 HydrophobicContact CG1-CB 4.45Å; I323-M371 HydrophobicContact CG1-CE 4.02Å; I323-M371 HydrophobicContact CG2-CE 3.93Å; L369-M371 PolarHBondContact O-N 3.31Å; M371-L376 HydrophobicContact CE-CD1 4.11Å; M371-L376 HydrophobicContact SD-CD1 4.09Å; M371-L376 HydrophobicContact SD-CD2 3.92Å; M371-L376 HydrophobicContact SD-CG 4.15Å; M371-P528 HydrophobicContact CG-CG 3.85Å; M371-P528 HydrophobicContact SD-CB 4.36Å; M371-P528 HydrophobicContact SD-CG 3.43Å; M371-P528 WeakPolarHBondContact SD-CG 3.14Å
372E81.3Confident84.6Confident105 Ų10579.2 Ų79.249%0.49140%0.398SS..  trans-108142.4173.7-65.7-173.8172.100111.2Q374 Q375E372-Q374 PolarHBondContact O-N 2.95Å; E372-Q374 VanDerWaalsContact O-N 3.16Å; E372-Q375 HydrophobicContact CB-CG 4.31Å; E372-Q375 VanDerWaalsContact N-OE1 3.15Å; E372-Q375 VanDerWaalsContact O-CB 3.31Å; E372-Q375 WeakPolarHBondContact O-CB 3.48Å; E372-Q375 PolarHBondContact O-N 3.48Å
373I80.4Confident85.5Confident71 Ų7174.9 Ų74.936%0.36438%0.379SS..G310 helixtrans-56.5-35.5-179.3-60.5167.9000111.1I323 E324 Q375 L376 M377I323-I373 HydrophobicContact CG1-CG1 4.44Å; I323-I373 HydrophobicContact CG2-CG1 4.22Å; E324-I373 HydrophobicContact CB-CD1 4.14Å; I373-Q375 PolarHBondContact O-N 3.43Å; I373-L376 WeakPolarHBondContact O-CB 3.35Å; I373-L376 PolarHBondContact O-N 3.16Å; I373-M377 HydrophobicContact CG2-CG 4.38Å; I373-M377 WeakPolarHBondContact O-CG 3.34Å; I373-M377 PolarHBondContact O-N 2.88Å
374Q82.4Confident85.9Confident152 Ų15272.4 Ų72.471%0.7137%0.368SS*.G310 helixtrans-58.1-32178.4-64.7-179.5-3.700112.5E372 L376 M377 K387E372-Q374 PolarHBondContact O-N 2.95Å; E372-Q374 VanDerWaalsContact O-N 3.16Å; Q374-L376 PolarHBondContact O-N 3.11Å; Q374-M377 PolarHBondContact O-N 2.88Å; Q374-M377 VanDerWaalsContact O-N 3.17Å; Q374-K387 PolarHBondContact O-NZ 2.88Å
375Q81.4Confident86.4Confident63 Ų6372.1 Ų72.129%0.29437%0.367SS..G310 helixtrans-67.7-22.7177.1-60.3177.2-42.700112.4E372 I373 K387 P528E372-Q375 HydrophobicContact CB-CG 4.31Å; E372-Q375 VanDerWaalsContact N-OE1 3.15Å; E372-Q375 VanDerWaalsContact O-CB 3.31Å; E372-Q375 WeakPolarHBondContact O-CB 3.48Å; E372-Q375 PolarHBondContact O-N 3.48Å; I373-Q375 PolarHBondContact O-N 3.43Å; Q375-K387 VanDerWaalsContact C-NZ 3.3Å; Q375-K387 PolarHBondContact O-NZ 3.41Å; Q375-P528 HydrophobicContact CB-CG 4.14Å
376L81.5Confident86.9Confident8 Ų869.6 Ų69.64%0.04236%0.355CS..G310 helixtrans-94.4-3.7176.7-57.9174.9000113.5I323 M371 I373 Q374 F384 P528 I530I323-L376 HydrophobicContact CG2-CD1 3.49Å; I323-L376 VanDerWaalsContact CG2-CD1 3.49Å; M371-L376 HydrophobicContact CE-CD1 4.11Å; M371-L376 HydrophobicContact SD-CD1 4.09Å; M371-L376 HydrophobicContact SD-CD2 3.92Å; M371-L376 HydrophobicContact SD-CG 4.15Å; I373-L376 WeakPolarHBondContact O-CB 3.35Å; I373-L376 PolarHBondContact O-N 3.16Å; Q374-L376 PolarHBondContact O-N 3.11Å; L376-F384 WeakPolarHBondContact O-CE1 3.41Å; L376-F384 VanDerWaalsContact O-CZ 3.29Å; L376-F384 WeakPolarHBondContact O-CZ 3.32Å; L376-P528 HydrophobicContact CD2-CB 3.73Å; L376-P528 HydrophobicContact CD2-CG 4.02Å; L376-I530 HydrophobicContact CD2-CD1 3.69Å; L376-I530 HydrophobicContact CD2-CG1 4.4Å
377M86.1Confident87.3Confident86 Ų8669.4 Ų69.442%0.42435%0.353SS..SBendtrans-97.4150.4179.2-63.7-63.2-75.200110.8R32 I373 Q374 G379 K387R32-M377 PolarHBondContact NH1-SD 3.18Å; I373-M377 HydrophobicContact CG2-CG 4.38Å; I373-M377 WeakPolarHBondContact O-CG 3.34Å; I373-M377 PolarHBondContact O-N 2.88Å; Q374-M377 PolarHBondContact O-N 2.88Å; Q374-M377 VanDerWaalsContact O-N 3.17Å; M377-G379 VanDerWaalsContact C-N 3.27Å; M377-G379 PolarHBondContact O-N 2.81Å; M377-K387 VanDerWaalsContact O-CD 3.31Å; M377-K387 WeakPolarHBondContact O-CD 3.2Å; M377-K387 WeakPolarHBondContact O-CE 3.44Å; M377-K387 PolarHBondContact O-NZ 3.28Å
378K87.3Confident87.8Confident70 Ų7066.7 Ų66.730%0.30434%0.34SS..  trans-68.8-24.9174.4-66.8-174.2173.1-164.20113.2N380 Y381 R382 F384 D730K378-N380 PolarHBondContact O-N 2.79Å; K378-Y381 WeakPolarHBondContact O-CB 3.29Å; K378-Y381 WeakPolarHBondContact O-CD2 3.48Å; K378-Y381 PolarHBondContact O-N 3.37Å; K378-R382 PolarHBondContact NZ-O 2.7Å; K378-F384 HydrophobicContact CD-CD2 4.34Å; K378-F384 HydrophobicContact CD-CE2 4.22Å; K378-F384 VanDerWaalsContact CE-CE2 3.42Å; K378-F384 HydrophobicContact CG-CD1 4Å; K378-F384 HydrophobicContact CG-CD2 3.95Å; K378-F384 HydrophobicContact CG-CE1 3.77Å; K378-F384 HydrophobicContact CG-CE2 3.72Å; K378-F384 HydrophobicContact CG-CG 4.09Å; K378-F384 HydrophobicContact CG-CZ 3.63Å; K378-D730 WeakPolarHBondContact CE-OD2 3.35Å; K378-D730 IonicContact NZ-OD2 3.15Å; K378-D730 PolarHBondContact NZ-OD2 2.95Å
379G89.2Confident88.3Confident64 Ų6463.5 Ų63.566%0.6632%0.318SS*.THydrogen-bonded Turntrans59.7-131.9-173.300000111.2M377 Y381M377-G379 VanDerWaalsContact C-N 3.27Å; M377-G379 PolarHBondContact O-N 2.81Å; G379-Y381 VanDerWaalsContact C-N 3.27Å; G379-Y381 PolarHBondContact O-N 2.78Å
380N92.3Very high89Confident173 Ų17364.7 Ų64.793%0.92532%0.323SS*.THydrogen-bonded Turntrans-830.2180-64.4-25.5000113.8K378K378-N380 PolarHBondContact O-N 2.79Å
381Y93.1Very high89.9Confident84 Ų8459.4 Ų59.433%0.32929%0.293SS..SBendtrans-87.9151.4-179.6-59.3-81000111.6K378 G379 T383 Q386 K387 F390K378-Y381 WeakPolarHBondContact O-CB 3.29Å; K378-Y381 WeakPolarHBondContact O-CD2 3.48Å; K378-Y381 PolarHBondContact O-N 3.37Å; G379-Y381 VanDerWaalsContact C-N 3.27Å; G379-Y381 PolarHBondContact O-N 2.78Å; Y381-T383 VanDerWaalsContact C-N 3.33Å; Y381-Q386 HydrophobicContact CD1-CG 4.01Å; Y381-K387 HydrophobicContact CD2-CB 3.48Å; Y381-K387 VanDerWaalsContact CD2-CB 3.48Å; Y381-K387 HydrophobicContact CD2-CD 4.43Å; Y381-K387 HydrophobicContact CD2-CG 3.61Å; Y381-K387 HydrophobicContact CE2-CB 4.12Å; Y381-K387 HydrophobicContact CE2-CG 3.92Å; Y381-K387 HydrophobicContact CG-CB 3.7Å; Y381-K387 HydrophobicContact CG-CG 4.35Å; Y381-F390 HydrophobicContact CE1-CB 3.62Å; Y381-F390 HydrophobicContact CE1-CD1 4.41Å; Y381-F390 HydrophobicContact CE1-CD2 4.46Å; Y381-F390 AromaticContact CE1-CG 3.93Å; Y381-F390 HydrophobicContact CE1-CG 3.93Å
382R92.2Very high91Very high160 Ų16058.1 Ų58.160%0.60429%0.286SS*.SBendtrans-71-34179-63.6179.5177.3-169.9-4.3111.8K378 E723K378-R382 PolarHBondContact NZ-O 2.7Å; R382-E723 IonicContact NH1-OE1 3.24Å; R382-E723 PolarHBondContact NH1-OE1 3.27Å
383T93.7Very high91.8Very high19 Ų1953.2 Ų53.212%0.11726%0.264CS..SBendtrans-141.3156.3-170.368.30000110Y381 Q386 K387 Y719 V729 D730Y381-T383 VanDerWaalsContact C-N 3.33Å; T383-Q386 WeakPolarHBondContact OG1-CB 3.35Å; T383-Q386 PolarHBondContact OG1-N 3.3Å; T383-Q386 VanDerWaalsContact OG1-N 3.14Å; T383-K387 PolarHBondContact O-N 3.05Å; T383-K387 VanDerWaalsContact O-N 3.11Å; T383-Y719 HydrophobicContact CG2-CE2 4.41Å; T383-Y719 VanDerWaalsContact OG1-CE2 3.28Å; T383-Y719 WeakPolarHBondContact OG1-CE2 3.22Å; T383-V729 HydrophobicContact CG2-CG2 3.45Å; T383-V729 VanDerWaalsContact CG2-CG2 3.45Å; T383-D730 WeakPolarHBondContact CA-OD2 3.41Å; T383-D730 WeakPolarHBondContact CB-OD1 3.34Å; T383-D730 WeakPolarHBondContact CB-OD2 3.47Å
384F92.9Very high92.5Very high32 Ų3254.1 Ų54.114%0.1427%0.266CS..Hα-helixtrans-65.6-42174.2-74.8-72.5000111.3L376 K378 Q386 K387 E388 I530 D730L376-F384 WeakPolarHBondContact O-CE1 3.41Å; L376-F384 VanDerWaalsContact O-CZ 3.29Å; L376-F384 WeakPolarHBondContact O-CZ 3.32Å; K378-F384 HydrophobicContact CD-CD2 4.34Å; K378-F384 HydrophobicContact CD-CE2 4.22Å; K378-F384 VanDerWaalsContact CE-CE2 3.42Å; K378-F384 HydrophobicContact CG-CD1 4Å; K378-F384 HydrophobicContact CG-CD2 3.95Å; K378-F384 HydrophobicContact CG-CE1 3.77Å; K378-F384 HydrophobicContact CG-CE2 3.72Å; K378-F384 HydrophobicContact CG-CG 4.09Å; K378-F384 HydrophobicContact CG-CZ 3.63Å; F384-Q386 VanDerWaalsContact C-N 3.29Å; F384-Q386 PolarHBondContact O-N 2.99Å; F384-K387 WeakPolarHBondContact O-CB 3.48Å; F384-K387 PolarHBondContact O-N 3.21Å; F384-K387 VanDerWaalsContact O-N 3.15Å; F384-E388 WeakPolarHBondContact O-CB 3.47Å; F384-E388 WeakPolarHBondContact O-CG 3.41Å; F384-E388 PolarHBondContact O-N 3.38Å; F384-I530 HydrophobicContact CB-CB 4.19Å; F384-I530 HydrophobicContact CB-CG2 4.41Å; F384-I530 HydrophobicContact CD1-CB 3.78Å; F384-I530 HydrophobicContact CD1-CG1 4.1Å; F384-I530 HydrophobicContact CD1-CG2 4Å; F384-I530 HydrophobicContact CD2-CB 4.26Å; F384-I530 HydrophobicContact CD2-CG2 3.65Å; F384-I530 HydrophobicContact CE1-CB 4.17Å; F384-I530 HydrophobicContact CE1-CG1 4.13Å; F384-I530 HydrophobicContact CE1-CG2 4.12Å; F384-I530 HydrophobicContact CE2-CG2 3.78Å; F384-I530 HydrophobicContact CG-CB 3.83Å; F384-I530 HydrophobicContact CG-CG2 3.76Å; F384-I530 HydrophobicContact CZ-CG2 4.01Å; F384-D730 WeakPolarHBondContact CA-OD1 3.45Å; F384-D730 WeakPolarHBondContact CB-OD1 2.84Å; F384-D730 VanDerWaalsContact N-CG 3.32Å; F384-D730 PolarHBondContact N-OD1 2.86Å; F384-D730 PolarHBondContact N-OD2 3.02Å
385M95.5Very high93.2Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-59.3-42177.4-177.4173.7176.300111.7E388 I389 A533 T535 L622 V729 D730M385-E388 PolarHBondContact O-N 3.02Å; M385-I389 HydrophobicContact CE-CD1 3.79Å; M385-I389 HydrophobicContact CG-CD1 4.03Å; M385-I389 VanDerWaalsContact O-CG1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.36Å; M385-I389 PolarHBondContact O-N 2.91Å; M385-A533 HydrophobicContact SD-CB 4.33Å; M385-T535 HydrophobicContact CE-CG2 3.94Å; M385-T535 HydrophobicContact CG-CG2 4.27Å; M385-L622 HydrophobicContact CE-CD1 3.28Å; M385-L622 HydrophobicContact SD-CD1 3.33Å; M385-L622 WeakPolarHBondContact SD-CD1 3.48Å; M385-L622 HydrophobicContact SD-CD2 3.72Å; M385-L622 HydrophobicContact SD-CG 4.17Å; M385-V729 HydrophobicContact SD-CB 4.42Å; M385-D730 PolarHBondContact N-OD1 3.49Å
386Q96.8Very high93.9Very high30 Ų3044 Ų4414%0.1422%0.22CC..Hα-helixtrans-61.3-49.8174.9-172.9-174.829.200111.1Y381 T383 F384 E388 I389 F390 Y719Y381-Q386 HydrophobicContact CD1-CG 4.01Å; T383-Q386 WeakPolarHBondContact OG1-CB 3.35Å; T383-Q386 PolarHBondContact OG1-N 3.3Å; T383-Q386 VanDerWaalsContact OG1-N 3.14Å; F384-Q386 VanDerWaalsContact C-N 3.29Å; F384-Q386 PolarHBondContact O-N 2.99Å; Q386-E388 VanDerWaalsContact C-N 3.29Å; Q386-E388 PolarHBondContact O-N 3.41Å; Q386-I389 PolarHBondContact O-N 3.02Å; Q386-F390 HydrophobicContact CG-CD2 4.02Å; Q386-F390 HydrophobicContact CG-CE2 4.06Å; Q386-F390 WeakPolarHBondContact O-CD2 3.27Å; Q386-F390 PolarHBondContact O-N 2.83Å; Q386-F390 VanDerWaalsContact O-N 3.09Å; Q386-Y719 HydrophobicContact CB-CD2 4.47Å; Q386-Y719 HydrophobicContact CB-CE2 3.78Å; Q386-Y719 HydrophobicContact CG-CE2 4.5Å
387K96.5Very high94.6Very high7 Ų748.8 Ų48.83%0.0324%0.24CC..Hα-helixtrans-51.8-51.3175.5173.7-172170.4-173.10110.8Q374 Q375 M377 Y381 T383 F384 I389 F390 E391Q374-K387 PolarHBondContact O-NZ 2.88Å; Q375-K387 VanDerWaalsContact C-NZ 3.3Å; Q375-K387 PolarHBondContact O-NZ 3.41Å; M377-K387 VanDerWaalsContact O-CD 3.31Å; M377-K387 WeakPolarHBondContact O-CD 3.2Å; M377-K387 WeakPolarHBondContact O-CE 3.44Å; M377-K387 PolarHBondContact O-NZ 3.28Å; Y381-K387 HydrophobicContact CD2-CB 3.48Å; Y381-K387 VanDerWaalsContact CD2-CB 3.48Å; Y381-K387 HydrophobicContact CD2-CD 4.43Å; Y381-K387 HydrophobicContact CD2-CG 3.61Å; Y381-K387 HydrophobicContact CE2-CB 4.12Å; Y381-K387 HydrophobicContact CE2-CG 3.92Å; Y381-K387 HydrophobicContact CG-CB 3.7Å; Y381-K387 HydrophobicContact CG-CG 4.35Å; T383-K387 PolarHBondContact O-N 3.05Å; T383-K387 VanDerWaalsContact O-N 3.11Å; F384-K387 WeakPolarHBondContact O-CB 3.48Å; F384-K387 PolarHBondContact O-N 3.21Å; F384-K387 VanDerWaalsContact O-N 3.15Å; K387-I389 PolarHBondContact O-N 3.38Å; K387-F390 CarbonylContact O-C 3.47Å; K387-F390 PolarHBondContact O-N 3.28Å; K387-F390 VanDerWaalsContact O-N 3.12Å; K387-E391 WeakPolarHBondContact CE-OE1 3.42Å; K387-E391 WeakPolarHBondContact CE-OE2 3.4Å; K387-E391 HydrophobicContact CG-CG 4.09Å; K387-E391 IonicContact NZ-OE1 2.65Å; K387-E391 WeakPolarHBondContact O-CB 3.05Å; K387-E391 WeakPolarHBondContact O-CG 3.32Å; K387-E391 PolarHBondContact O-N 3.41Å
388E97.1Very high95.1Very high2 Ų246.9 Ų46.91%0.00923%0.231CC..Hα-helixtrans-67.9-32.5-173.1-67.9162179.600113F384 M385 Q386 Q392 I530 G531 T535 K536F384-E388 WeakPolarHBondContact O-CB 3.47Å; F384-E388 WeakPolarHBondContact O-CG 3.41Å; F384-E388 PolarHBondContact O-N 3.38Å; M385-E388 PolarHBondContact O-N 3.02Å; Q386-E388 VanDerWaalsContact C-N 3.29Å; Q386-E388 PolarHBondContact O-N 3.41Å; E388-Q392 WeakPolarHBondContact O-CG 3.42Å; E388-I530 WeakPolarHBondContact OE1-CA 3.11Å; E388-I530 PolarHBondContact OE1-N 3.35Å; E388-G531 PolarHBondContact OE1-N 3.09Å; E388-G531 WeakPolarHBondContact OE2-CA 3.12Å; E388-G531 PolarHBondContact OE2-N 3.29Å; E388-T535 WeakPolarHBondContact CB-OG1 3.43Å; E388-K536 HydrophobicContact CB-CD 4.18Å; E388-K536 HydrophobicContact CB-CG 4.37Å; E388-K536 HydrophobicContact CG-CD 4.29Å
389I98Very high95.5Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-65.1-45.6170.4-68.7166.5000110.6M385 Q386 K387 E391 Q392 T535 L581 V712 Q715 L716M385-I389 HydrophobicContact CE-CD1 3.79Å; M385-I389 HydrophobicContact CG-CD1 4.03Å; M385-I389 VanDerWaalsContact O-CG1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.36Å; M385-I389 PolarHBondContact O-N 2.91Å; Q386-I389 PolarHBondContact O-N 3.02Å; K387-I389 PolarHBondContact O-N 3.38Å; I389-E391 VanDerWaalsContact C-N 3.35Å; I389-Q392 WeakPolarHBondContact O-CB 3.45Å; I389-Q392 VanDerWaalsContact O-CG 3.31Å; I389-Q392 WeakPolarHBondContact O-CG 3.38Å; I389-Q392 PolarHBondContact O-N 3.14Å; I389-Q392 PolarHBondContact O-NE2 3.16Å; I389-T535 HydrophobicContact CD1-CG2 4.4Å; I389-T535 HydrophobicContact CG1-CG2 3.76Å; I389-L581 HydrophobicContact CG2-CD2 3.8Å; I389-V712 HydrophobicContact CG2-CG1 4.49Å; I389-Q715 HydrophobicContact CD1-CB 3.92Å; I389-Q715 HydrophobicContact CG1-CB 4.12Å; I389-L716 HydrophobicContact CD1-CD2 4.48Å; I389-L716 HydrophobicContact CG2-CD2 3.71Å; I389-L716 HydrophobicContact CG2-CG 4.13Å
390F97.7Very high95.9Very high46 Ų4640.8 Ų40.820%0.20219%0.187CC..Hα-helixtrans-77.1-20.2-176.2-81.9-103.1000113.4Y381 Q386 K387 Q392 P393 L581 D584 L716Y381-F390 HydrophobicContact CE1-CB 3.62Å; Y381-F390 HydrophobicContact CE1-CD1 4.41Å; Y381-F390 HydrophobicContact CE1-CD2 4.46Å; Y381-F390 AromaticContact CE1-CG 3.93Å; Y381-F390 HydrophobicContact CE1-CG 3.93Å; Q386-F390 HydrophobicContact CG-CD2 4.02Å; Q386-F390 HydrophobicContact CG-CE2 4.06Å; Q386-F390 WeakPolarHBondContact O-CD2 3.27Å; Q386-F390 PolarHBondContact O-N 2.83Å; Q386-F390 VanDerWaalsContact O-N 3.09Å; K387-F390 CarbonylContact O-C 3.47Å; K387-F390 PolarHBondContact O-N 3.28Å; K387-F390 VanDerWaalsContact O-N 3.12Å; F390-Q392 VanDerWaalsContact C-N 3.29Å; F390-P393 WeakPolarHBondContact O-CD 3.46Å; F390-L581 HydrophobicContact CD1-CB 4.47Å; F390-L581 HydrophobicContact CD1-CD1 4.37Å; F390-L581 HydrophobicContact CD1-CD2 4.35Å; F390-L581 HydrophobicContact CD2-CD2 4.41Å; F390-L581 HydrophobicContact CE1-CB 4.36Å; F390-L581 HydrophobicContact CG-CD2 4.29Å; F390-D584 HydrophobicContact CZ-CB 4.16Å; F390-L716 HydrophobicContact CE2-CD2 3.76Å; F390-L716 HydrophobicContact CZ-CD2 4.34Å
391E96.7Very high96.1Very high49 Ų4940.7 Ų40.723%0.22917%0.174CC..THydrogen-bonded Turntrans-82.7-0.1172-76.3-174.2159.700113.4K387 I389 P393 E394 S395 K536K387-E391 WeakPolarHBondContact CE-OE1 3.42Å; K387-E391 WeakPolarHBondContact CE-OE2 3.4Å; K387-E391 HydrophobicContact CG-CG 4.09Å; K387-E391 IonicContact NZ-OE1 2.65Å; K387-E391 WeakPolarHBondContact O-CB 3.05Å; K387-E391 WeakPolarHBondContact O-CG 3.32Å; K387-E391 PolarHBondContact O-N 3.41Å; I389-E391 VanDerWaalsContact C-N 3.35Å; E391-P393 VanDerWaalsContact C-CD 3.44Å; E391-E394 WeakPolarHBondContact CA-OE2 3.43Å; E391-E394 PolarHBondContact O-N 2.92Å; E391-S395 WeakPolarHBondContact O-CB 3.45Å; E391-S395 PolarHBondContact O-N 3.02Å; E391-K536 IonicContact OE2-NZ 3.76Å; E391-K536 PolarHBondContact OE2-NZ 3.12Å
392Q98.2Very high96.1Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-58.6-39.2-178.3-72.1177113.300113.8E388 I389 F390 E394 S395 I396 K536 T539 M577E388-Q392 WeakPolarHBondContact O-CG 3.42Å; I389-Q392 WeakPolarHBondContact O-CB 3.45Å; I389-Q392 VanDerWaalsContact O-CG 3.31Å; I389-Q392 WeakPolarHBondContact O-CG 3.38Å; I389-Q392 PolarHBondContact O-N 3.14Å; I389-Q392 PolarHBondContact O-NE2 3.16Å; F390-Q392 VanDerWaalsContact C-N 3.29Å; Q392-E394 VanDerWaalsContact C-N 3.33Å; Q392-E394 PolarHBondContact O-N 3.43Å; Q392-S395 VanDerWaalsContact CA-OG 3.29Å; Q392-S395 WeakPolarHBondContact CA-OG 3.46Å; Q392-S395 PolarHBondContact O-N 3.3Å; Q392-S395 PolarHBondContact O-OG 3.46Å; Q392-I396 WeakPolarHBondContact O-CB 3.41Å; Q392-I396 WeakPolarHBondContact O-CG1 3.03Å; Q392-I396 PolarHBondContact O-N 3.45Å; Q392-K536 HydrophobicContact CG-CB 3.87Å; Q392-T539 PolarHBondContact OE1-OG1 2.96Å; Q392-M577 HydrophobicContact CB-CG 4.43Å; Q392-M577 HydrophobicContact CB-SD 3.29Å; Q392-M577 WeakPolarHBondContact CB-SD 3.27Å; Q392-M577 HydrophobicContact CG-SD 4.47Å
393P98.1Very high96.3Very high2 Ų234.9 Ų34.91%0.01318%0.177CC..Hα-helixtrans-54.4-45.9173.2-26.135.1000113.3F390 E391 F397 M577 R578 L581F390-P393 WeakPolarHBondContact O-CD 3.46Å; E391-P393 VanDerWaalsContact C-CD 3.44Å; P393-F397 WeakPolarHBondContact O-CB 3.44Å; P393-F397 PolarHBondContact O-N 3.14Å; P393-F397 VanDerWaalsContact O-N 3.09Å; P393-M577 HydrophobicContact CG-CB 4.21Å; P393-M577 HydrophobicContact CG-CG 4.01Å; P393-R578 HydrophobicContact CB-CG 3.77Å; P393-R578 HydrophobicContact CG-CG 3.59Å; P393-L581 HydrophobicContact CG-CD1 3.79Å
394E96.2Very high96.5Very high90 Ų9034.8 Ų34.842%0.42118%0.176SC..Hα-helixtrans-69.9-41.1178.2-65.469.8-153.200111.1E391 Q392 I396 F397 N398E391-E394 WeakPolarHBondContact CA-OE2 3.43Å; E391-E394 PolarHBondContact O-N 2.92Å; Q392-E394 VanDerWaalsContact C-N 3.33Å; Q392-E394 PolarHBondContact O-N 3.43Å; E394-I396 PolarHBondContact O-N 2.91Å; E394-F397 WeakPolarHBondContact O-CB 3.47Å; E394-F397 PolarHBondContact O-N 2.88Å; E394-N398 WeakPolarHBondContact O-CB 3.43Å; E394-N398 VanDerWaalsContact O-CG 3.24Å; E394-N398 PolarHBondContact O-N 2.98Å; E394-N398 PolarHBondContact O-ND2 3.14Å; E394-N398 VanDerWaalsContact O-ND2 3.17Å
395S96.1Very high96.7Very high3 Ų336.5 Ų36.52%0.02119%0.187CC..Hα-helixtrans-63.9-39.6178.678.40000112.1E391 Q392 N398 T399E391-S395 WeakPolarHBondContact O-CB 3.45Å; E391-S395 PolarHBondContact O-N 3.02Å; Q392-S395 VanDerWaalsContact CA-OG 3.29Å; Q392-S395 WeakPolarHBondContact CA-OG 3.46Å; Q392-S395 PolarHBondContact O-N 3.3Å; Q392-S395 PolarHBondContact O-OG 3.46Å; S395-N398 PolarHBondContact O-N 3.39Å; S395-T399 WeakPolarHBondContact O-CB 3.31Å; S395-T399 PolarHBondContact O-N 3.46Å; S395-T399 PolarHBondContact O-OG1 2.99Å
396I97Very high96.6Very high0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-65.6-45.7175.1-78.5-178000110.1Q392 E394 N398 T399 M400 L543 L573 P574 M577Q392-I396 WeakPolarHBondContact O-CB 3.41Å; Q392-I396 WeakPolarHBondContact O-CG1 3.03Å; Q392-I396 PolarHBondContact O-N 3.45Å; E394-I396 PolarHBondContact O-N 2.91Å; I396-N398 PolarHBondContact O-N 3.04Å; I396-T399 WeakPolarHBondContact O-CB 3.44Å; I396-T399 PolarHBondContact O-N 3.18Å; I396-M400 HydrophobicContact CG2-CE 3.72Å; I396-M400 PolarHBondContact O-N 3.36Å; I396-M400 VanDerWaalsContact O-N 3.11Å; I396-L543 HydrophobicContact CB-CD2 4.22Å; I396-L543 HydrophobicContact CG1-CD2 4.24Å; I396-L543 HydrophobicContact CG2-CD2 3.73Å; I396-L573 HydrophobicContact CD1-CD2 4.17Å; I396-L573 HydrophobicContact CD1-CG 4.43Å; I396-L573 HydrophobicContact CG2-CD2 3.95Å; I396-L573 HydrophobicContact CG2-CG 4.34Å; I396-P574 HydrophobicContact CG2-CG 4.17Å; I396-M577 HydrophobicContact CD1-CE 3.26Å; I396-M577 HydrophobicContact CD1-SD 3.48Å; I396-M577 WeakPolarHBondContact CD1-SD 3.36Å; I396-M577 HydrophobicContact CG1-SD 4.47Å
397F96.6Very high96.5Very high108 Ų10846.4 Ų46.447%0.47423%0.233SC..Hα-helixtrans-57.7-48.1174.6179.7-93.2000111.6P393 E394 T399 M400 R401 P574P393-F397 WeakPolarHBondContact O-CB 3.44Å; P393-F397 PolarHBondContact O-N 3.14Å; P393-F397 VanDerWaalsContact O-N 3.09Å; E394-F397 WeakPolarHBondContact O-CB 3.47Å; E394-F397 PolarHBondContact O-N 2.88Å; F397-T399 VanDerWaalsContact C-N 3.28Å; F397-T399 PolarHBondContact O-N 2.76Å; F397-M400 PolarHBondContact O-N 3.27Å; F397-M400 VanDerWaalsContact O-N 3.1Å; F397-R401 PolarHBondContact O-N 3.04Å; F397-P574 HydrophobicContact CB-CG 4.49Å
398N95.6Very high96.4Very high45 Ų4549.9 Ų49.924%0.24125%0.254CS..Hα-helixtrans-63.9-32.2177.9-73.3-31.3000113E394 S395 I396 M400 R401 N525E394-N398 WeakPolarHBondContact O-CB 3.43Å; E394-N398 VanDerWaalsContact O-CG 3.24Å; E394-N398 PolarHBondContact O-N 2.98Å; E394-N398 PolarHBondContact O-ND2 3.14Å; E394-N398 VanDerWaalsContact O-ND2 3.17Å; S395-N398 PolarHBondContact O-N 3.39Å; I396-N398 PolarHBondContact O-N 3.04Å; N398-M400 VanDerWaalsContact C-N 3.32Å; N398-R401 PolarHBondContact O-N 3.42Å; N398-N525 WeakPolarHBondContact CB-O 3.37Å; N398-N525 PolarHBondContact O-ND2 3.37Å
399T97.2Very high96.3Very high0 Ų051.4 Ų51.40%026%0.263CS..Hα-helixtrans-67.4-32.2174.6-57.50000111.5S395 I396 F397 R403 V524 S540 L543 M547S395-T399 WeakPolarHBondContact O-CB 3.31Å; S395-T399 PolarHBondContact O-N 3.46Å; S395-T399 PolarHBondContact O-OG1 2.99Å; I396-T399 WeakPolarHBondContact O-CB 3.44Å; I396-T399 PolarHBondContact O-N 3.18Å; F397-T399 VanDerWaalsContact C-N 3.28Å; F397-T399 PolarHBondContact O-N 2.76Å; T399-R403 VanDerWaalsContact O-CD 3.25Å; T399-R403 WeakPolarHBondContact O-CD 3.31Å; T399-R403 PolarHBondContact O-NH1 2.95Å; T399-V524 WeakPolarHBondContact CA-O 3.39Å; T399-V524 HydrophobicContact CG2-CG1 4.48Å; T399-V524 WeakPolarHBondContact CG2-O 3.42Å; T399-V524 PolarHBondContact OG1-O 3.27Å; T399-S540 WeakPolarHBondContact OG1-CB 3.49Å; T399-S540 PolarHBondContact OG1-OG 2.87Å; T399-L543 HydrophobicContact CG2-CB 4.33Å; T399-L543 HydrophobicContact CG2-CD2 3.94Å; T399-L543 HydrophobicContact CG2-CG 4.1Å; T399-M547 HydrophobicContact CG2-CE 3.83Å; T399-M547 WeakPolarHBondContact O-CE 3.35Å
400M97.4Very high96.2Very high7 Ų756.9 Ų56.93%0.03429%0.286CS..Hα-helixtrans-89.2-18.1177-64.1-177.6-66.300113.6I396 F397 N398 G402 R403 V404 F406 L543 M547 L570 P574I396-M400 HydrophobicContact CG2-CE 3.72Å; I396-M400 PolarHBondContact O-N 3.36Å; I396-M400 VanDerWaalsContact O-N 3.11Å; F397-M400 PolarHBondContact O-N 3.27Å; F397-M400 VanDerWaalsContact O-N 3.1Å; N398-M400 VanDerWaalsContact C-N 3.32Å; M400-G402 PolarHBondContact O-N 3.26Å; M400-R403 WeakPolarHBondContact O-CB 3.33Å; M400-R403 PolarHBondContact O-N 3.08Å; M400-V404 HydrophobicContact CB-CB 4.42Å; M400-V404 HydrophobicContact CB-CG2 4Å; M400-V404 HydrophobicContact CG-CG2 4.15Å; M400-V404 PolarHBondContact O-N 2.97Å; M400-V404 VanDerWaalsContact O-N 3.08Å; M400-F406 HydrophobicContact CE-CZ 4.45Å; M400-F406 HydrophobicContact SD-CZ 4.18Å; M400-L543 HydrophobicContact CG-CD1 4.37Å; M400-L543 HydrophobicContact CG-CD2 3.75Å; M400-L543 HydrophobicContact CG-CG 4.3Å; M400-L543 HydrophobicContact SD-CD1 4.34Å; M400-L543 HydrophobicContact SD-CD2 4.18Å; M400-M547 HydrophobicContact CG-SD 4.32Å; M400-L570 HydrophobicContact SD-CB 3.87Å; M400-L570 HydrophobicContact SD-CD1 4.45Å; M400-L570 HydrophobicContact SD-CD2 4.19Å; M400-L570 HydrophobicContact SD-CG 4.4Å; M400-P574 HydrophobicContact CE-CG 4.04Å
401R95Very high96.2Very high170 Ų17054.7 Ų54.764%0.64228%0.277SS*.THydrogen-bonded Turntrans-55.9124.2-173.1-169.4176.7-169.3173.62111.6F397 N398 R403F397-R401 PolarHBondContact O-N 3.04Å; N398-R401 PolarHBondContact O-N 3.42Å; R401-R403 PolarHBondContact O-N 3.28Å
402G94.2Very high96.1Very high83 Ų8356 Ų5686%0.85629%0.288SS*.THydrogen-bonded Turntrans71.71.7-178.500000115M400M400-G402 PolarHBondContact O-N 3.26Å
403R96.9Very high96.1Very high40 Ų4056.2 Ų56.215%0.15129%0.289CS..THydrogen-bonded Turntrans-111.2-34.3-179.2-61.5169.1-163.7163.5-2.8112.5T399 M400 R401 V411 V412 L413 H523 V524 M547T399-R403 VanDerWaalsContact O-CD 3.25Å; T399-R403 WeakPolarHBondContact O-CD 3.31Å; T399-R403 PolarHBondContact O-NH1 2.95Å; M400-R403 WeakPolarHBondContact O-CB 3.33Å; M400-R403 PolarHBondContact O-N 3.08Å; R401-R403 PolarHBondContact O-N 3.28Å; R403-V411 CarbonylContact O-C 3.56Å; R403-V411 VanDerWaalsContact O-CA 3.25Å; R403-V411 WeakPolarHBondContact O-CA 3.25Å; R403-V412 VanDerWaalsContact CA-O 3.31Å; R403-V412 WeakPolarHBondContact CA-O 3.38Å; R403-V412 WeakPolarHBondContact CB-O 3.31Å; R403-V412 PolarHBondContact O-N 3.3Å; R403-L413 HydrophobicContact CB-CD2 4.32Å; R403-L413 HydrophobicContact CG-CD2 4.18Å; R403-H523 VanDerWaalsContact CZ-O 3.27Å; R403-H523 PolarHBondContact NH1-O 2.95Å; R403-H523 PolarHBondContact NH2-O 3.32Å; R403-V524 PolarHBondContact NH1-O 2.66Å; R403-M547 HydrophobicContact CB-SD 4.05Å
404V96.9Very high95.9Very high16 Ų1658.7 Ų58.710%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-110.3120.1178.7-172.30000109.4M400 F406 V411 M547 I567M400-V404 HydrophobicContact CB-CB 4.42Å; M400-V404 HydrophobicContact CB-CG2 4Å; M400-V404 HydrophobicContact CG-CG2 4.15Å; M400-V404 PolarHBondContact O-N 2.97Å; M400-V404 VanDerWaalsContact O-N 3.08Å; V404-F406 HydrophobicContact CB-CE1 4.27Å; V404-F406 HydrophobicContact CB-CE2 4.49Å; V404-F406 HydrophobicContact CB-CZ 4.11Å; V404-F406 HydrophobicContact CG1-CD1 3.76Å; V404-F406 HydrophobicContact CG1-CE1 3.46Å; V404-F406 VanDerWaalsContact CG1-CE1 3.46Å; V404-F406 HydrophobicContact CG1-CE2 4.38Å; V404-F406 HydrophobicContact CG1-CG 4.34Å; V404-F406 HydrophobicContact CG1-CZ 3.82Å; V404-V411 HydrophobicContact CG1-CG2 4.4Å; V404-V411 HydrophobicContact CG2-CG1 4.45Å; V404-V411 HydrophobicContact CG2-CG2 4.36Å; V404-M547 HydrophobicContact CG2-CG 4.23Å; V404-M547 HydrophobicContact CG2-SD 3.73Å; V404-I567 HydrophobicContact CG1-CG2 4.08Å
405N96.4Very high95.8Very high69 Ų6956.7 Ų56.737%0.36932%0.318SS..EExtended strand (participates in β ladder)trans-100.3104.8169.8-177.1-45.9000108.6E407 T408 N409 K410N405-E407 VanDerWaalsContact C-N 3.29Å; N405-E407 PolarHBondContact O-N 3.39Å; N405-E407 WeakPolarHBondContact OD1-CB 3.25Å; N405-E407 PolarHBondContact OD1-N 3.2Å; N405-T408 WeakPolarHBondContact CB-OG1 3.31Å; N405-T408 PolarHBondContact OD1-N 2.79Å; N405-T408 PolarHBondContact OD1-OG1 3.44Å; N405-N409 VanDerWaalsContact O-CA 3.29Å; N405-N409 WeakPolarHBondContact O-CA 3.29Å; N405-N409 PolarHBondContact O-N 3.38Å; N405-K410 PolarHBondContact N-O 3.46Å; N405-K410 PolarHBondContact O-N 3.04Å
406F95Very high95.7Very high54 Ų5456.6 Ų56.624%0.23732%0.317CS..THydrogen-bonded Turntrans-74.1-14.3-176.6-61.2-69.7000114.5M400 V404 I567 L570 K571M400-F406 HydrophobicContact CE-CZ 4.45Å; M400-F406 HydrophobicContact SD-CZ 4.18Å; V404-F406 HydrophobicContact CB-CE1 4.27Å; V404-F406 HydrophobicContact CB-CE2 4.49Å; V404-F406 HydrophobicContact CB-CZ 4.11Å; V404-F406 HydrophobicContact CG1-CD1 3.76Å; V404-F406 HydrophobicContact CG1-CE1 3.46Å; V404-F406 VanDerWaalsContact CG1-CE1 3.46Å; V404-F406 HydrophobicContact CG1-CE2 4.38Å; V404-F406 HydrophobicContact CG1-CG 4.34Å; V404-F406 HydrophobicContact CG1-CZ 3.82Å; F406-I567 HydrophobicContact CD1-CG2 4.14Å; F406-L570 HydrophobicContact CE1-CB 4.08Å; F406-K571 HydrophobicContact CB-CD 4.23Å; F406-K571 HydrophobicContact CD1-CB 3.65Å; F406-K571 HydrophobicContact CD1-CD 4.42Å; F406-K571 HydrophobicContact CD1-CG 4.08Å; F406-K571 HydrophobicContact CE1-CB 3.69Å; F406-K571 HydrophobicContact CE1-CG 4.35Å; F406-K571 HydrophobicContact CG-CB 4.24Å; F406-K571 HydrophobicContact CG-CD 4.31Å; F406-K571 HydrophobicContact CG-CG 4.15Å; F406-K571 HydrophobicContact CZ-CB 4.32Å
407E93.9Very high95.6Very high184 Ų18462.9 Ų62.986%0.8635%0.345SS*.THydrogen-bonded Turntrans-82.6-41.3176.8-62.9177.9173.200111N405N405-E407 VanDerWaalsContact C-N 3.29Å; N405-E407 PolarHBondContact O-N 3.39Å; N405-E407 WeakPolarHBondContact OD1-CB 3.25Å; N405-E407 PolarHBondContact OD1-N 3.2Å
408T94.8Very high95.5Very high79 Ų7964.1 Ų64.149%0.48536%0.357SS..THydrogen-bonded Turntrans-96.4-5-178.959.70000113.5N405 K410N405-T408 WeakPolarHBondContact CB-OG1 3.31Å; N405-T408 PolarHBondContact OD1-N 2.79Å; N405-T408 PolarHBondContact OD1-OG1 3.44Å; T408-K410 PolarHBondContact O-N 3.22Å
409N94.4Very high95.6Very high35 Ų3564.7 Ų64.719%0.18736%0.357CS..THydrogen-bonded Turntrans50.637.8-170.4-64.3-41.9000113.3N405 N564 I567 Q568N405-N409 VanDerWaalsContact O-CA 3.29Å; N405-N409 WeakPolarHBondContact O-CA 3.29Å; N405-N409 PolarHBondContact O-N 3.38Å; N409-N564 WeakPolarHBondContact CB-OD1 3.35Å; N409-N564 PolarHBondContact ND2-OD1 3.18Å; N409-I567 HydrophobicContact CB-CD1 4.1Å; N409-I567 HydrophobicContact CB-CG2 4.29Å; N409-I567 WeakPolarHBondContact O-CD1 3.36Å; N409-I567 WeakPolarHBondContact OD1-CG2 3.43Å; N409-Q568 PolarHBondContact OD1-NE2 3.08Å
410K95.7Very high95.5Very high114 Ų11466 Ų6650%0.49636%0.364SS..EExtended strand (participates in β ladder)trans-102.7140.2176.6-69.2-165.4174.1-165.60111.2N405 T408N405-K410 PolarHBondContact N-O 3.46Å; N405-K410 PolarHBondContact O-N 3.04Å; T408-K410 PolarHBondContact O-N 3.22Å
411V97.4Very high95.3Very high1 Ų169.5 Ų69.51%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-117.5128.8173.6-175.70000108.1R403 V404 M547 L550 V551 I567R403-V411 CarbonylContact O-C 3.56Å; R403-V411 VanDerWaalsContact O-CA 3.25Å; R403-V411 WeakPolarHBondContact O-CA 3.25Å; V404-V411 HydrophobicContact CG1-CG2 4.4Å; V404-V411 HydrophobicContact CG2-CG1 4.45Å; V404-V411 HydrophobicContact CG2-CG2 4.36Å; V411-M547 HydrophobicContact CG1-CB 3.9Å; V411-M547 HydrophobicContact CG1-CG 4.12Å; V411-L550 HydrophobicContact CB-CB 4.34Å; V411-L550 HydrophobicContact CG2-CB 4.04Å; V411-L550 HydrophobicContact CG2-CD1 3.96Å; V411-V551 HydrophobicContact CB-CG2 4.12Å; V411-V551 HydrophobicContact CG1-CG2 3.82Å; V411-V551 WeakPolarHBondContact O-CG2 3.32Å; V411-I567 HydrophobicContact CG2-CD1 3.93Å; V411-I567 HydrophobicContact CG2-CG1 4.13Å
412V96.2Very high95.3Very high76 Ų7665.8 Ų65.846%0.46138%0.377SS..  trans-130.7122.5179.3-178.60000108.8R403R403-V412 VanDerWaalsContact CA-O 3.31Å; R403-V412 WeakPolarHBondContact CA-O 3.38Å; R403-V412 WeakPolarHBondContact CB-O 3.31Å; R403-V412 PolarHBondContact O-N 3.3Å
413L96.7Very high95.4Very high5 Ų561.8 Ų61.83%0.02634%0.336CS..  trans-106.993.5172.6-65.6178.5000108.5R403 G415 I416 K417 V522 M547 F548 V551R403-L413 HydrophobicContact CB-CD2 4.32Å; R403-L413 HydrophobicContact CG-CD2 4.18Å; L413-G415 VanDerWaalsContact C-N 3.25Å; L413-G415 PolarHBondContact O-N 2.77Å; L413-I416 HydrophobicContact CB-CD1 3.82Å; L413-I416 HydrophobicContact CB-CG1 3.64Å; L413-I416 HydrophobicContact CD1-CD1 3.84Å; L413-I416 HydrophobicContact CG-CD1 4.47Å; L413-I416 VanDerWaalsContact O-CG1 3.31Å; L413-I416 WeakPolarHBondContact O-CG1 3.42Å; L413-I416 PolarHBondContact O-N 3.31Å; L413-I416 VanDerWaalsContact O-N 3.12Å; L413-K417 PolarHBondContact O-N 2.97Å; L413-V522 HydrophobicContact CB-CG2 4.48Å; L413-V522 HydrophobicContact CD1-CG2 4.24Å; L413-V522 HydrophobicContact CD2-CG1 4.28Å; L413-M547 HydrophobicContact CD1-CB 4.3Å; L413-M547 HydrophobicContact CD2-CB 4.15Å; L413-M547 HydrophobicContact CD2-CE 4.32Å; L413-M547 HydrophobicContact CD2-SD 4.44Å; L413-F548 HydrophobicContact CD1-CB 4.07Å; L413-V551 HydrophobicContact CD1-CG2 4.22Å; L413-V551 HydrophobicContact CG-CG2 4.07Å
414G94.3Very high95.4Very high54 Ų5464.1 Ų64.156%0.55735%0.345SS*.G310 helixtrans-54.4-38.6-172.300000114I416 K417G414-I416 PolarHBondContact O-N 2.9Å; G414-K417 WeakPolarHBondContact O-CB 3.47Å; G414-K417 PolarHBondContact O-N 3.37Å
415G93.3Very high95.3Very high47 Ų4772 Ų7249%0.48537%0.373SS..G310 helixtrans-73.8-4.4-177.300000116L413 C520 G521L413-G415 VanDerWaalsContact C-N 3.25Å; L413-G415 PolarHBondContact O-N 2.77Å; G415-C520 VanDerWaalsContact O-CB 3.31Å; G415-C520 WeakPolarHBondContact O-CB 3.45Å; G415-G521 CarbonylContact C-O 3.58Å; G415-G521 VanDerWaalsContact C-O 3.26Å; G415-G521 VanDerWaalsContact CA-O 3.25Å; G415-G521 WeakPolarHBondContact CA-O 3.43Å; G415-G521 PolarHBondContact O-N 2.86Å; G415-G521 VanDerWaalsContact O-N 3.14Å
416I95.3Very high95.3Very high1 Ų169.1 Ų69.11%0.00536%0.358CS..G310 helixtrans-119.7-3.3173.165.8171.1000113L413 G414 D418 F419 L420 I423 V504 C520 V522 F548L413-I416 HydrophobicContact CB-CD1 3.82Å; L413-I416 HydrophobicContact CB-CG1 3.64Å; L413-I416 HydrophobicContact CD1-CD1 3.84Å; L413-I416 HydrophobicContact CG-CD1 4.47Å; L413-I416 VanDerWaalsContact O-CG1 3.31Å; L413-I416 WeakPolarHBondContact O-CG1 3.42Å; L413-I416 PolarHBondContact O-N 3.31Å; L413-I416 VanDerWaalsContact O-N 3.12Å; G414-I416 PolarHBondContact O-N 2.9Å; I416-D418 VanDerWaalsContact C-N 3.31Å; I416-D418 PolarHBondContact O-N 3.03Å; I416-F419 CarbonylContact O-C 3.57Å; I416-F419 PolarHBondContact O-N 3.46Å; I416-L420 HydrophobicContact CD1-CD2 3.82Å; I416-L420 HydrophobicContact CG1-CD2 4.11Å; I416-L420 PolarHBondContact O-N 3.21Å; I416-L420 VanDerWaalsContact O-N 3.11Å; I416-I423 HydrophobicContact CB-CD1 4.38Å; I416-V504 HydrophobicContact CG2-CG1 4.13Å; I416-C520 HydrophobicContact CG2-CB 4.41Å; I416-V522 HydrophobicContact CG2-CG2 3.98Å; I416-F548 HydrophobicContact CD1-CD2 3.8Å; I416-F548 HydrophobicContact CD1-CE2 4.22Å
417K94.3Very high95.4Very high132 Ų13275.3 Ų75.357%0.57438%0.38SS*.G310 helixtrans-53.7-45.5-169.6-176-175.4175.4-170.60112.6L413 G414 F419 L420L413-K417 PolarHBondContact O-N 2.97Å; G414-K417 WeakPolarHBondContact O-CB 3.47Å; G414-K417 PolarHBondContact O-N 3.37Å; K417-F419 PolarHBondContact O-N 3.15Å; K417-L420 PolarHBondContact O-N 2.81Å
418D95.1Very high95.6Very high135 Ų13568.8 Ų68.872%0.72235%0.348SS*.G310 helixtrans-71.7-19-176.5-57.7-31.1000112.8I416I416-D418 VanDerWaalsContact C-N 3.31Å; I416-D418 PolarHBondContact O-N 3.03Å
419F96.4Very high95.8Very high57 Ų5765 Ų6525%0.2533%0.325CS..G310 helixtrans-102.6-4.8-179-66.5-93.2000113.2I416 K417 P421 E422 I423 L502 H519 C520I416-F419 CarbonylContact O-C 3.57Å; I416-F419 PolarHBondContact O-N 3.46Å; K417-F419 PolarHBondContact O-N 3.15Å; F419-P421 VanDerWaalsContact C-CD 3.43Å; F419-P421 VanDerWaalsContact C-N 3.34Å; F419-E422 WeakPolarHBondContact CD1-OE2 3Å; F419-E422 WeakPolarHBondContact O-CB 3.04Å; F419-E422 PolarHBondContact O-N 2.64Å; F419-I423 HydrophobicContact CB-CD1 4.29Å; F419-I423 WeakPolarHBondContact O-CG1 3.37Å; F419-I423 PolarHBondContact O-N 2.87Å; F419-L502 HydrophobicContact CB-CD2 4.45Å; F419-L502 HydrophobicContact CD1-CD1 3.71Å; F419-L502 HydrophobicContact CE1-CD1 4.17Å; F419-H519 HydrophobicContact CE1-CB 3.97Å; F419-H519 WeakPolarHBondContact CE2-O 3.32Å; F419-H519 HydrophobicContact CZ-CB 4.2Å; F419-H519 WeakPolarHBondContact CZ-O 3.33Å; F419-C520 HydrophobicContact CB-CB 4.3Å; F419-C520 HydrophobicContact CD2-CB 3.36Å; F419-C520 HydrophobicContact CE2-CB 3.72Å; F419-C520 HydrophobicContact CG-CB 3.84Å; F419-C520 HydrophobicContact CZ-CB 4.47Å
420L95.1Very high96Very high27 Ų2763.4 Ų63.414%0.14132%0.316CS..Hα-helixtrans-53.7-40.7179.4-73.7176000114.1I416 K417 E422 I423 R424 V551 M552I416-L420 HydrophobicContact CD1-CD2 3.82Å; I416-L420 HydrophobicContact CG1-CD2 4.11Å; I416-L420 PolarHBondContact O-N 3.21Å; I416-L420 VanDerWaalsContact O-N 3.11Å; K417-L420 PolarHBondContact O-N 2.81Å; L420-E422 PolarHBondContact O-N 2.82Å; L420-I423 PolarHBondContact O-N 3.14Å; L420-R424 WeakPolarHBondContact O-CB 3.13Å; L420-R424 WeakPolarHBondContact O-CG 3.04Å; L420-R424 PolarHBondContact O-N 3.22Å; L420-V551 HydrophobicContact CD1-CG1 3.81Å; L420-V551 HydrophobicContact CD2-CG1 3.58Å; L420-V551 HydrophobicContact CG-CG1 4.37Å; L420-M552 HydrophobicContact CD2-SD 4.42Å
421P95Very high96.1Very high81 Ų8158 Ų5853%0.52629%0.292SS..Hα-helixtrans-63.9-28.2176.9-23.235.1000113.8F419 R425F419-P421 VanDerWaalsContact C-CD 3.43Å; F419-P421 VanDerWaalsContact C-N 3.34Å; P421-R425 WeakPolarHBondContact O-CG 2.95Å; P421-R425 PolarHBondContact O-NE 2.84Å
422E94.8Very high96.2Very high91 Ų9157.9 Ų57.943%0.42529%0.292SS..Hα-helixtrans-79.7-45.1175.8-69.1167.8-178.200110.6F419 L420 R424 R425 C426 L502F419-E422 WeakPolarHBondContact CD1-OE2 3Å; F419-E422 WeakPolarHBondContact O-CB 3.04Å; F419-E422 PolarHBondContact O-N 2.64Å; L420-E422 PolarHBondContact O-N 2.82Å; E422-R424 VanDerWaalsContact C-N 3.32Å; E422-R424 PolarHBondContact O-N 3.12Å; E422-R425 PolarHBondContact O-N 3.17Å; E422-R425 VanDerWaalsContact O-N 3.08Å; E422-C426 PolarHBondContact O-N 3.27Å; E422-L502 HydrophobicContact CB-CD2 4.07Å
423I96.5Very high96.3Very high0 Ų054.3 Ų54.30%027%0.27CS..Hα-helixtrans-59.9-42.4176.5-60.8168.1000110.7I416 F419 L420 R425 C426 V476 L502 V504 F548 M552I416-I423 HydrophobicContact CB-CD1 4.38Å; F419-I423 HydrophobicContact CB-CD1 4.29Å; F419-I423 WeakPolarHBondContact O-CG1 3.37Å; F419-I423 PolarHBondContact O-N 2.87Å; L420-I423 PolarHBondContact O-N 3.14Å; I423-R425 PolarHBondContact O-N 2.78Å; I423-C426 WeakPolarHBondContact O-CB 3.44Å; I423-C426 PolarHBondContact O-N 3.23Å; I423-C426 PolarHBondContact O-SG 2.93Å; I423-V476 HydrophobicContact CB-CG2 4.49Å; I423-V476 HydrophobicContact CG1-CG1 4.49Å; I423-V476 HydrophobicContact CG1-CG2 4.37Å; I423-V476 HydrophobicContact CG2-CG2 4.32Å; I423-L502 HydrophobicContact CD1-CD2 4.38Å; I423-L502 HydrophobicContact CG1-CD2 3.46Å; I423-L502 VanDerWaalsContact CG1-CD2 3.46Å; I423-V504 HydrophobicContact CD1-CG2 4.45Å; I423-F548 HydrophobicContact CG2-CE2 4.02Å; I423-F548 HydrophobicContact CG2-CZ 3.91Å; I423-M552 HydrophobicContact CB-SD 4.46Å; I423-M552 HydrophobicContact CG2-CE 3.77Å; I423-M552 HydrophobicContact CG2-SD 3.67Å
424R95.2Very high96.3Very high89 Ų8955.6 Ų55.634%0.33628%0.279SS..THydrogen-bonded Turntrans-66.3-18.7177.9-73.7178177.6179.6-6.6114.3L420 E422 V551 M552 D555L420-R424 WeakPolarHBondContact O-CB 3.13Å; L420-R424 WeakPolarHBondContact O-CG 3.04Å; L420-R424 PolarHBondContact O-N 3.22Å; E422-R424 VanDerWaalsContact C-N 3.32Å; E422-R424 PolarHBondContact O-N 3.12Å; R424-V551 PolarHBondContact NH2-O 3.34Å; R424-M552 HydrophobicContact CB-CE 4.33Å; R424-M552 HydrophobicContact CG-CE 3.64Å; R424-M552 HydrophobicContact CG-SD 4.09Å; R424-D555 IonicContact CZ-OD2 3.31Å; R424-D555 VanDerWaalsContact CZ-OD2 3.32Å; R424-D555 IonicContact NH1-OD1 3.08Å; R424-D555 IonicContact NH1-OD2 3.14Å; R424-D555 PolarHBondContact NH1-OD2 2.67Å; R424-D555 IonicContact NH2-OD1 3.44Å; R424-D555 IonicContact NH2-OD2 3.07Å
425R96Very high96.4Very high180 Ų18054.8 Ų54.868%0.67927%0.27SS*.THydrogen-bonded Turntrans-92.9-9.6176.9-72.5-176.2-66.9152.6-0.9113.5P421 E422 I423P421-R425 WeakPolarHBondContact O-CG 2.95Å; P421-R425 PolarHBondContact O-NE 2.84Å; E422-R425 PolarHBondContact O-N 3.17Å; E422-R425 VanDerWaalsContact O-N 3.08Å; I423-R425 PolarHBondContact O-N 2.78Å
426C96.5Very high96.6Very high10 Ų1053.1 Ų53.17%0.06825%0.251CS..  trans-66.6159.9179.983.90000111.4E422 I423 L429 L454 D474 V476E422-C426 PolarHBondContact O-N 3.27Å; I423-C426 WeakPolarHBondContact O-CB 3.44Å; I423-C426 PolarHBondContact O-N 3.23Å; I423-C426 PolarHBondContact O-SG 2.93Å; C426-L429 WeakPolarHBondContact SG-CD2 3.38Å; C426-L454 VanDerWaalsContact SG-CD1 3.52Å; C426-D474 VanDerWaalsContact CA-O 3.32Å; C426-D474 WeakPolarHBondContact CA-O 3.36Å; C426-D474 VanDerWaalsContact CB-O 3.22Å; C426-D474 WeakPolarHBondContact CB-O 3.19Å; C426-V476 HydrophobicContact CB-CB 4.43Å; C426-V476 HydrophobicContact CB-CG2 3.4Å; C426-V476 VanDerWaalsContact CB-CG2 3.4Å; C426-V476 VanDerWaalsContact SG-CG2 3.57Å
427R97.1Very high96.7Very high184 Ų18453.6 Ų53.669%0.69425%0.254SS*.SBendtrans-108.4-12.7-178.3-63.3-166.9-177.9173.1-3.8113.8P455 D474R427-P455 VanDerWaalsContact O-CD 3.28Å; R427-P455 WeakPolarHBondContact O-CD 3.47Å; R427-D474 WeakPolarHBondContact CD-OD2 3.26Å; R427-D474 WeakPolarHBondContact CG-OD2 3.41Å; R427-D474 PolarHBondContact N-O 2.91Å; R427-D474 IonicContact NE-OD2 2.73Å
428R98.1Very high96.9Very high47 Ų4750 Ų5018%0.17724%0.238CC..EExtended strand (participates in β ladder)trans-157.9140.4-175.6173.9172.670.8158.47.5110.3I430 P455 M457 P470 D475 V476R428-I430 HydrophobicContact CG-CG1 4.17Å; R428-P455 HydrophobicContact CG-CB 4.43Å; R428-M457 PolarHBondContact NH1-SD 3.18Å; R428-P470 PolarHBondContact NH2-O 2.75Å; R428-P470 VanDerWaalsContact NH2-O 3.07Å; R428-D475 WeakPolarHBondContact CB-OD1 2.85Å; R428-D475 IonicContact CZ-OD1 2.89Å; R428-D475 IonicContact CZ-OD2 3.47Å; R428-D475 IonicContact NE-OD1 2.87Å; R428-D475 PolarHBondContact NE-OD1 2.92Å; R428-D475 IonicContact NE-OD2 3.47Å; R428-D475 IonicContact NH2-OD1 3.78Å; R428-D475 PolarHBondContact NH2-OD1 3.4Å; R428-D475 IonicContact NH2-OD2 3.15Å; R428-D475 PolarHBondContact NH2-OD2 3.23Å; R428-V476 PolarHBondContact O-N 2.88Å
429L98.5Very high97.1Very high0 Ų044.6 Ų44.60%021%0.208CC..EExtended strand (participates in β ladder)trans-106.6134.4173.3-51.5-177.6000108.9C426 V448 T452 L454 P455 V456 M457 V476 F478 F548C426-L429 WeakPolarHBondContact SG-CD2 3.38Å; L429-V448 HydrophobicContact CD1-CG1 3.58Å; L429-T452 HydrophobicContact CD1-CG2 4.11Å; L429-L454 HydrophobicContact CD1-CD1 4.29Å; L429-L454 HydrophobicContact CD2-CD1 3.97Å; L429-L454 HydrophobicContact CG-CB 4.33Å; L429-L454 HydrophobicContact CG-CD1 3.98Å; L429-P455 PolarHBondContact N-O 2.98Å; L429-V456 HydrophobicContact CB-CG2 4.27Å; L429-V456 HydrophobicContact CD1-CG2 4.24Å; L429-V456 WeakPolarHBondContact O-CA 3.05Å; L429-M457 PolarHBondContact O-N 2.73Å; L429-V476 WeakPolarHBondContact CA-O 2.95Å; L429-V476 HydrophobicContact CD2-CB 3.76Å; L429-V476 HydrophobicContact CD2-CG1 4.3Å; L429-V476 HydrophobicContact CD2-CG2 4.35Å; L429-F478 HydrophobicContact CB-CE2 4.41Å; L429-F478 HydrophobicContact CD1-CE2 4.47Å; L429-F478 HydrophobicContact CD2-CE2 4.17Å; L429-F548 HydrophobicContact CD1-CE1 3.97Å; L429-F548 HydrophobicContact CD1-CZ 4.42Å
430I98.5Very high97.2Very high0 Ų041.9 Ų41.90%020%0.196CC..EExtended strand (participates in β ladder)trans-123.7121.4176.9-51178.9000108R428 L432 M457 E459 F464 D475 V476 C477 F478R428-I430 HydrophobicContact CG-CG1 4.17Å; I430-L432 HydrophobicContact CG2-CD1 4.25Å; I430-L432 HydrophobicContact CG2-CG 4.12Å; I430-M457 CarbonylContact C-O 3.54Å; I430-M457 WeakPolarHBondContact CA-O 3.26Å; I430-M457 HydrophobicContact CG1-CB 4.44Å; I430-M457 HydrophobicContact CG2-CB 4.35Å; I430-E459 HydrophobicContact CG2-CG 4.5Å; I430-F464 HydrophobicContact CG2-CE2 4.27Å; I430-D475 HydrophobicContact CD1-CB 4.32Å; I430-V476 PolarHBondContact N-O 3.32Å; I430-C477 CarbonylContact O-C 3.51Å; I430-C477 VanDerWaalsContact O-CA 3.29Å; I430-C477 WeakPolarHBondContact O-CA 3.42Å; I430-F478 PolarHBondContact O-N 2.83Å
431M98.6Very high97.4Very high0 Ų040.6 Ų40.60%019%0.189CC..EExtended strand (participates in β ladder)trans-105.3120.4178-57.9180-176.100109.9A441 V448 V456 M457 V458 E459 F478 L545M431-A441 HydrophobicContact CB-CB 3.92Å; M431-A441 HydrophobicContact SD-CB 4.05Å; M431-V448 HydrophobicContact CE-CB 4.01Å; M431-V448 HydrophobicContact CE-CG1 3.84Å; M431-V448 HydrophobicContact CE-CG2 3.85Å; M431-V456 HydrophobicContact CE-CG1 3.64Å; M431-V456 HydrophobicContact CG-CG1 4.36Å; M431-V456 HydrophobicContact SD-CG1 4.1Å; M431-M457 PolarHBondContact N-O 3.36Å; M431-V458 HydrophobicContact CB-CG2 4.33Å; M431-V458 WeakPolarHBondContact O-CA 3.17Å; M431-V458 HydrophobicContact SD-CG2 4.31Å; M431-E459 PolarHBondContact O-N 2.96Å; M431-F478 HydrophobicContact CB-CB 4.44Å; M431-F478 HydrophobicContact CG-CB 4.12Å; M431-F478 HydrophobicContact CG-CD2 4.36Å; M431-F478 HydrophobicContact CG-CG 4.45Å; M431-L545 HydrophobicContact CE-CD2 4.07Å; M431-L545 HydrophobicContact SD-CD1 4.36Å; M431-L545 HydrophobicContact SD-CD2 4.23Å
432L98.5Very high97.5Very high0 Ų038.1 Ų38.10%017%0.172CC..EExtended strand (participates in β ladder)trans-118.1124.3-174.5-69.9156.8000109.7I430 E459 F464 C477 F478 F479 I480 A492I430-L432 HydrophobicContact CG2-CD1 4.25Å; I430-L432 HydrophobicContact CG2-CG 4.12Å; L432-E459 HydrophobicContact CD2-CB 3.69Å; L432-F464 HydrophobicContact CD1-CD1 4.29Å; L432-F464 HydrophobicContact CD1-CE1 3.81Å; L432-F464 HydrophobicContact CD1-CE2 4.28Å; L432-F464 HydrophobicContact CD1-CZ 3.78Å; L432-F464 HydrophobicContact CD2-CB 3.71Å; L432-F464 HydrophobicContact CD2-CD1 3.63Å; L432-F464 HydrophobicContact CD2-CD2 3.53Å; L432-F464 HydrophobicContact CD2-CE1 3.96Å; L432-F464 HydrophobicContact CD2-CE2 3.87Å; L432-F464 HydrophobicContact CD2-CG 3.35Å; L432-F464 HydrophobicContact CD2-CZ 4.05Å; L432-C477 HydrophobicContact CD1-CB 4.49Å; L432-F478 PolarHBondContact N-O 2.67Å; L432-F479 HydrophobicContact CB-CD1 3.93Å; L432-F479 HydrophobicContact CB-CE1 3.84Å; L432-F479 HydrophobicContact CD1-CD1 4.3Å; L432-F479 HydrophobicContact CD1-CE1 3.38Å; L432-F479 HydrophobicContact CD1-CZ 3.57Å; L432-F479 HydrophobicContact CG-CE1 4.23Å; L432-F479 WeakPolarHBondContact O-CA 3.47Å; L432-I480 PolarHBondContact O-N 2.89Å; L432-A492 HydrophobicContact CD1-CB 4.44Å
433A98.2Very high97.7Very high0 Ų033.9 Ų33.90%015%0.153CC..EExtended strand (participates in β ladder)trans-163.1175.9-179.600000111.7S437 E459 A461 I480A433-S437 VanDerWaalsContact CB-C 3.44Å; A433-S437 WeakPolarHBondContact CB-O 3.28Å; A433-E459 PolarHBondContact N-O 3Å; A433-A461 PolarHBondContact O-N 3.37Å; A433-A461 VanDerWaalsContact O-N 3.1Å; A433-I480 HydrophobicContact CB-CB 4.06Å; A433-I480 WeakPolarHBondContact CB-O 3.44Å
434C97.1Very high97.8Very high33 Ų3333.9 Ų33.922%0.22315%0.153CC..  trans-127152.1173.5-59.60000111.1T436 S437 Y438 T486C434-T436 PolarHBondContact O-N 3.41Å; C434-S437 PolarHBondContact O-N 3.34Å; C434-Y438 PolarHBondContact O-N 2.83Å; C434-T486 HydrophobicContact CB-CG2 4.24Å
435G96Very high97.9Very high36 Ų3635 Ų3537%0.37116%0.158SC..Hα-helixtrans55.6-132.9171.700000114.2S437 Y438 H439G435-S437 PolarHBondContact O-N 3.5Å; G435-Y438 WeakPolarHBondContact O-CA 3.49Å; G435-Y438 VanDerWaalsContact O-CB 3.32Å; G435-Y438 WeakPolarHBondContact O-CB 3.41Å; G435-Y438 PolarHBondContact O-N 2.99Å; G435-H439 PolarHBondContact O-N 2.98Å; G435-H439 VanDerWaalsContact O-N 3.15Å
436T97.9Very high98Very high12 Ų1229.2 Ų29.27%0.07414%0.138CC..Hα-helixtrans-57.4-31.8178.4-65.80000113.4C434 Y438 H439 S440 Y538 E614 K618C434-T436 PolarHBondContact O-N 3.41Å; T436-Y438 VanDerWaalsContact C-N 3.34Å; T436-H439 WeakPolarHBondContact O-CB 3.32Å; T436-H439 PolarHBondContact O-N 3.29Å; T436-S440 PolarHBondContact O-N 2.74Å; T436-Y538 HydrophobicContact CG2-CD2 3.63Å; T436-Y538 HydrophobicContact CG2-CG 3.96Å; T436-E614 WeakPolarHBondContact CA-OE2 3.29Å; T436-E614 WeakPolarHBondContact CB-OE2 3.18Å; T436-E614 VanDerWaalsContact CG2-CD 3.46Å; T436-E614 VanDerWaalsContact CG2-OE1 3.25Å; T436-E614 WeakPolarHBondContact CG2-OE1 3.22Å; T436-E614 WeakPolarHBondContact CG2-OE2 3.22Å; T436-E614 PolarHBondContact OG1-OE1 3.09Å; T436-E614 PolarHBondContact OG1-OE2 2.77Å; T436-K618 PolarHBondContact OG1-NZ 3.04Å
437S98.3Very high98.1Very high12 Ų1228.9 Ų28.98%0.08414%0.136CC..Hα-helixtrans-72.9-25.8175.4-69.30000113.2A433 C434 G435 S440 A441 I480 Q541A433-S437 VanDerWaalsContact CB-C 3.44Å; A433-S437 WeakPolarHBondContact CB-O 3.28Å; C434-S437 PolarHBondContact O-N 3.34Å; G435-S437 PolarHBondContact O-N 3.5Å; S437-S440 WeakPolarHBondContact CA-OG 3.2Å; S437-S440 PolarHBondContact O-OG 3.41Å; S437-A441 PolarHBondContact O-N 3.44Å; S437-I480 WeakPolarHBondContact CB-O 3.42Å; S437-Q541 PolarHBondContact OG-NE2 3.39Å; S437-Q541 PolarHBondContact OG-OE1 2.82Å
438Y98.6Very high98.1Very high56 Ų5620.1 Ų20.122%0.2210%0.103CC..Hα-helixtrans-67.9-41.5166.4168.6-93.7000110.7C434 G435 T436 S440 A441 V442 V458 L460C434-Y438 PolarHBondContact O-N 2.83Å; G435-Y438 WeakPolarHBondContact O-CA 3.49Å; G435-Y438 VanDerWaalsContact O-CB 3.32Å; G435-Y438 WeakPolarHBondContact O-CB 3.41Å; G435-Y438 PolarHBondContact O-N 2.99Å; T436-Y438 VanDerWaalsContact C-N 3.34Å; Y438-S440 VanDerWaalsContact C-N 3.32Å; Y438-S440 PolarHBondContact O-N 3.33Å; Y438-A441 WeakPolarHBondContact O-CB 3.03Å; Y438-A441 PolarHBondContact O-N 3.39Å; Y438-A441 VanDerWaalsContact O-N 3.15Å; Y438-V442 HydrophobicContact CD1-CG2 4.16Å; Y438-V442 HydrophobicContact CE1-CG2 3.67Å; Y438-V442 HydrophobicContact CE2-CG2 4.29Å; Y438-V442 WeakPolarHBondContact O-CG2 3.29Å; Y438-V442 PolarHBondContact O-N 2.91Å; Y438-V458 HydrophobicContact CD2-CG1 3.9Å; Y438-V458 HydrophobicContact CE2-CG1 3.67Å; Y438-L460 HydrophobicContact CD1-CD2 3.89Å; Y438-L460 HydrophobicContact CD1-CG 4.43Å; Y438-L460 HydrophobicContact CD2-CD2 3.71Å; Y438-L460 HydrophobicContact CD2-CG 3.87Å; Y438-L460 HydrophobicContact CE1-CD2 4.38Å; Y438-L460 HydrophobicContact CE1-CG 4.46Å; Y438-L460 HydrophobicContact CE2-CD2 4.19Å; Y438-L460 HydrophobicContact CE2-CG 3.87Å; Y438-L460 HydrophobicContact CG-CD2 3.54Å; Y438-L460 HydrophobicContact CG-CG 4.16Å
439H98.6Very high98.1Very high22 Ų2220.8 Ų20.810%0.10211%0.108CC..Hα-helixtrans-62.9-35.4175.3-60.6157.1000113.1G435 T436 A441 V442 A443 Y538 L613 E614G435-H439 PolarHBondContact O-N 2.98Å; G435-H439 VanDerWaalsContact O-N 3.15Å; T436-H439 WeakPolarHBondContact O-CB 3.32Å; T436-H439 PolarHBondContact O-N 3.29Å; H439-A441 VanDerWaalsContact C-N 3.32Å; H439-A441 PolarHBondContact O-N 3.15Å; H439-V442 PolarHBondContact O-N 2.75Å; H439-A443 WeakPolarHBondContact O-CB 3.19Å; H439-A443 PolarHBondContact O-N 3.12Å; H439-Y538 HydrophobicContact CB-CE2 3.89Å; H439-L613 PolarHBondContact CE1-O 2.84Å; H439-E614 HydrophobicContact CB-CB 4.24Å; H439-E614 IonicContact CE1-OE2 2.68Å; H439-E614 IonicContact CG-OE2 3.24Å; H439-E614 WeakPolarHBondContact ND1-CA 3.17Å; H439-E614 IonicContact ND1-OE2 2.62Å; H439-E614 PolarHBondContact ND1-OE2 2.65Å
440S98.4Very high98.1Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-66.3-35.2174.9660000111.9T436 S437 Y438 A443 G444 Q541 L545T436-S440 PolarHBondContact O-N 2.74Å; S437-S440 WeakPolarHBondContact CA-OG 3.2Å; S437-S440 PolarHBondContact O-OG 3.41Å; Y438-S440 VanDerWaalsContact C-N 3.32Å; Y438-S440 PolarHBondContact O-N 3.33Å; S440-A443 PolarHBondContact O-N 3.31Å; S440-G444 PolarHBondContact O-N 3.39Å; S440-Q541 PolarHBondContact OG-OE1 2.98Å; S440-L545 WeakPolarHBondContact O-CD1 3.32Å
441A98.4Very high98Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-63.9-44.9170.200000112.2M431 S437 Y438 H439 A443 G444 R445 V458 I480M431-A441 HydrophobicContact CB-CB 3.92Å; M431-A441 HydrophobicContact SD-CB 4.05Å; S437-A441 PolarHBondContact O-N 3.44Å; Y438-A441 WeakPolarHBondContact O-CB 3.03Å; Y438-A441 PolarHBondContact O-N 3.39Å; Y438-A441 VanDerWaalsContact O-N 3.15Å; H439-A441 VanDerWaalsContact C-N 3.32Å; H439-A441 PolarHBondContact O-N 3.15Å; A441-A443 VanDerWaalsContact C-N 3.29Å; A441-A443 PolarHBondContact O-N 3.4Å; A441-G444 PolarHBondContact O-N 3.44Å; A441-R445 PolarHBondContact O-N 3.33Å; A441-V458 HydrophobicContact CB-CG1 3.51Å; A441-V458 HydrophobicContact CB-CG2 4.44Å; A441-I480 HydrophobicContact CB-CD1 3.91Å
442V98.5Very high97.9Very high28 Ų2824.9 Ų24.917%0.1713%0.129CC..Hα-helixtrans-60.7-40175.3179.30000111Y438 H439 R445 V458 F609 A610Y438-V442 HydrophobicContact CD1-CG2 4.16Å; Y438-V442 HydrophobicContact CE1-CG2 3.67Å; Y438-V442 HydrophobicContact CE2-CG2 4.29Å; Y438-V442 WeakPolarHBondContact O-CG2 3.29Å; Y438-V442 PolarHBondContact O-N 2.91Å; H439-V442 PolarHBondContact O-N 2.75Å; V442-R445 WeakPolarHBondContact O-CB 3.22Å; V442-R445 PolarHBondContact O-N 3.49Å; V442-V458 HydrophobicContact CG2-CG1 3.92Å; V442-F609 HydrophobicContact CG1-CD1 4.16Å; V442-F609 HydrophobicContact CG1-CE1 4.47Å; V442-A610 HydrophobicContact CB-CB 4.15Å; V442-A610 HydrophobicContact CG1-CB 4.01Å
443A98.3Very high97.8Very high3 Ų332 Ų323%0.02516%0.162CC..Hα-helixtrans-65.2-38.2176.900000112.9H439 S440 A441 I542 A610H439-A443 WeakPolarHBondContact O-CB 3.19Å; H439-A443 PolarHBondContact O-N 3.12Å; S440-A443 PolarHBondContact O-N 3.31Å; A441-A443 VanDerWaalsContact C-N 3.29Å; A441-A443 PolarHBondContact O-N 3.4Å; A443-I542 HydrophobicContact CB-CD1 3.47Å; A443-I542 VanDerWaalsContact CB-CD1 3.47Å; A443-I542 HydrophobicContact CB-CG1 3.71Å; A443-A610 HydrophobicContact CB-CB 3.52Å
444G97.7Very high97.8Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-82.4-17.2178.500000114.6S440 A441 Q446 I447 V448S440-G444 PolarHBondContact O-N 3.39Å; A441-G444 PolarHBondContact O-N 3.44Å; G444-Q446 PolarHBondContact O-N 3.42Å; G444-I447 WeakPolarHBondContact O-CG2 3.22Å; G444-I447 PolarHBondContact O-N 3.09Å; G444-V448 VanDerWaalsContact O-CG2 3.3Å; G444-V448 WeakPolarHBondContact O-CG2 3.38Å; G444-V448 PolarHBondContact O-N 3.14Å; G444-V448 VanDerWaalsContact O-N 3.1Å
445R98.5Very high97.8Very high112 Ų11235.9 Ų35.942%0.42319%0.185SC..Hα-helixtrans-51-54.8-173.3-178.4-176.5170.8173.50.6113A441 V442 I447 V448 E449 V456 V458A441-R445 PolarHBondContact O-N 3.33Å; V442-R445 WeakPolarHBondContact O-CB 3.22Å; V442-R445 PolarHBondContact O-N 3.49Å; R445-I447 PolarHBondContact O-N 2.97Å; R445-V448 PolarHBondContact O-N 3.42Å; R445-E449 HydrophobicContact CG-CG 4.37Å; R445-E449 IonicContact CZ-OE1 3.52Å; R445-E449 IonicContact NE-OE1 3.45Å; R445-E449 PolarHBondContact NE-OE1 3.45Å; R445-E449 IonicContact NE-OE2 3.52Å; R445-E449 IonicContact NH2-OE1 2.81Å; R445-E449 PolarHBondContact NH2-OE1 3.23Å; R445-E449 VanDerWaalsContact NH2-OE1 3.15Å; R445-E449 WeakPolarHBondContact O-CG 3.34Å; R445-E449 PolarHBondContact O-N 3.21Å; R445-V456 HydrophobicContact CG-CB 4.31Å; R445-V456 HydrophobicContact CG-CG1 4.16Å; R445-V458 HydrophobicContact CB-CG2 4Å; R445-V458 HydrophobicContact CG-CG2 4.02Å
446Q97.9Very high98Very high59 Ų5934.4 Ų34.428%0.27617%0.168SC..Hα-helixtrans-62.5-41.9-171.9180174-7.600112.4G444 E449 E450 Y607 H657G444-Q446 PolarHBondContact O-N 3.42Å; Q446-E449 PolarHBondContact O-N 3.23Å; Q446-E450 WeakPolarHBondContact O-CB 3.43Å; Q446-E450 PolarHBondContact O-N 3.18Å; Q446-Y607 HydrophobicContact CB-CD1 4.23Å; Q446-Y607 HydrophobicContact CB-CE1 3.65Å; Q446-Y607 HydrophobicContact CG-CE1 3.77Å; Q446-Y607 HydrophobicContact CG-CE2 4.4Å; Q446-H657 PolarHBondContact NE2-CE1 3.11Å
447I98Very high98Very high2 Ų236.3 Ų36.31%0.0118%0.177CC..Hα-helixtrans-73.9-31.8179.9-174.260.4000112.1G444 R445 E450 L451 V546 I566 Y607 C704G444-I447 WeakPolarHBondContact O-CG2 3.22Å; G444-I447 PolarHBondContact O-N 3.09Å; R445-I447 PolarHBondContact O-N 2.97Å; I447-E450 HydrophobicContact CD1-CB 4.46Å; I447-E450 PolarHBondContact O-N 3.45Å; I447-L451 HydrophobicContact CD1-CD1 3.81Å; I447-L451 HydrophobicContact CD1-CG 3.84Å; I447-L451 HydrophobicContact CG1-CD1 4.07Å; I447-L451 HydrophobicContact CG1-CG 4.38Å; I447-L451 PolarHBondContact O-N 2.95Å; I447-V546 HydrophobicContact CG2-CG2 4.12Å; I447-I566 HydrophobicContact CD1-CD1 3.84Å; I447-Y607 HydrophobicContact CB-CE1 4.22Å; I447-C704 HydrophobicContact CB-CB 3.95Å; I447-C704 HydrophobicContact CD1-CB 3.87Å; I447-C704 HydrophobicContact CG1-CB 3.94Å
448V98.2Very high98Very high0 Ų036.6 Ų36.60%018%0.178CC..Hα-helixtrans-68.4-44173.4177.80000110L429 M431 G444 R445 E450 T452 V456 L545 F548 A549L429-V448 HydrophobicContact CD1-CG1 3.58Å; M431-V448 HydrophobicContact CE-CB 4.01Å; M431-V448 HydrophobicContact CE-CG1 3.84Å; M431-V448 HydrophobicContact CE-CG2 3.85Å; G444-V448 VanDerWaalsContact O-CG2 3.3Å; G444-V448 WeakPolarHBondContact O-CG2 3.38Å; G444-V448 PolarHBondContact O-N 3.14Å; G444-V448 VanDerWaalsContact O-N 3.1Å; R445-V448 PolarHBondContact O-N 3.42Å; V448-E450 PolarHBondContact O-N 3.36Å; V448-T452 HydrophobicContact CG1-CG2 3.86Å; V448-T452 VanDerWaalsContact O-CB 3.25Å; V448-T452 WeakPolarHBondContact O-CB 3.24Å; V448-T452 VanDerWaalsContact O-CG2 3.22Å; V448-T452 WeakPolarHBondContact O-CG2 3.17Å; V448-T452 PolarHBondContact O-N 3.49Å; V448-T452 PolarHBondContact O-OG1 2.92Å; V448-V456 HydrophobicContact CB-CG2 4.24Å; V448-V456 HydrophobicContact CG1-CG2 3.73Å; V448-L545 HydrophobicContact CG2-CB 4.39Å; V448-F548 HydrophobicContact CG1-CD1 4.46Å; V448-F548 HydrophobicContact CG1-CE1 4.23Å; V448-A549 HydrophobicContact CG2-CB 4.11Å
449E98.2Very high98Very high61 Ų6135.3 Ų35.329%0.28517%0.174SC..Hα-helixtrans-58-47.2172.6-71.6172157.500111.2R445 Q446 Q453 V456R445-E449 HydrophobicContact CG-CG 4.37Å; R445-E449 IonicContact CZ-OE1 3.52Å; R445-E449 IonicContact NE-OE1 3.45Å; R445-E449 PolarHBondContact NE-OE1 3.45Å; R445-E449 IonicContact NE-OE2 3.52Å; R445-E449 IonicContact NH2-OE1 2.81Å; R445-E449 PolarHBondContact NH2-OE1 3.23Å; R445-E449 VanDerWaalsContact NH2-OE1 3.15Å; R445-E449 WeakPolarHBondContact O-CG 3.34Å; R445-E449 PolarHBondContact O-N 3.21Å; Q446-E449 PolarHBondContact O-N 3.23Å; E449-Q453 VanDerWaalsContact O-CA 3.31Å; E449-Q453 WeakPolarHBondContact O-CA 3.5Å; E449-Q453 PolarHBondContact O-N 3.36Å; E449-V456 HydrophobicContact CB-CG2 4.37Å; E449-V456 HydrophobicContact CG-CB 3.61Å; E449-V456 HydrophobicContact CG-CG2 3.47Å; E449-V456 VanDerWaalsContact CG-CG2 3.47Å
450E97.5Very high98Very high62 Ų6237.6 Ų37.629%0.2919%0.186SC..Hα-helixtrans-57.3-52-179.8-176.6-171.7143.300112.4Q446 I447 V448 R562 Y607Q446-E450 WeakPolarHBondContact O-CB 3.43Å; Q446-E450 PolarHBondContact O-N 3.18Å; I447-E450 HydrophobicContact CD1-CB 4.46Å; I447-E450 PolarHBondContact O-N 3.45Å; V448-E450 PolarHBondContact O-N 3.36Å; E450-R562 WeakPolarHBondContact OE1-CG 2.93Å; E450-R562 IonicContact OE1-CZ 3.66Å; E450-R562 IonicContact OE1-NE 3.53Å; E450-R562 PolarHBondContact OE1-NE 3.39Å; E450-R562 IonicContact OE1-NH2 3.34Å; E450-R562 IonicContact OE2-NH2 2.71Å; E450-R562 PolarHBondContact OE2-NH2 3.22Å; E450-Y607 PolarHBondContact OE2-OH 3.44Å
451L97.4Very high97.9Very high6 Ų637.6 Ų37.63%0.03119%0.186CC..Hα-helixtrans-88.6-24.8-170.8-65.6-175.2000114I447 A549 L550 S553 R562 I566I447-L451 HydrophobicContact CD1-CD1 3.81Å; I447-L451 HydrophobicContact CD1-CG 3.84Å; I447-L451 HydrophobicContact CG1-CD1 4.07Å; I447-L451 HydrophobicContact CG1-CG 4.38Å; I447-L451 PolarHBondContact O-N 2.95Å; L451-A549 HydrophobicContact CB-CB 4.02Å; L451-A549 HydrophobicContact CD1-CB 3.77Å; L451-A549 HydrophobicContact CG-CB 4.38Å; L451-L550 HydrophobicContact CD1-CD2 4.07Å; L451-L550 HydrophobicContact CD1-CG 4.46Å; L451-S553 WeakPolarHBondContact O-CB 3.13Å; L451-R562 HydrophobicContact CD2-CG 4.22Å; L451-I566 HydrophobicContact CD1-CD1 4.11Å
452T96.5Very high97.8Very high19 Ų1939.9 Ų39.912%0.11720%0.202CC..Hα-helixtrans-90.8-23.9176690000112.7L429 V448 L454 F548 M552L429-T452 HydrophobicContact CD1-CG2 4.11Å; V448-T452 HydrophobicContact CG1-CG2 3.86Å; V448-T452 VanDerWaalsContact O-CB 3.25Å; V448-T452 WeakPolarHBondContact O-CB 3.24Å; V448-T452 VanDerWaalsContact O-CG2 3.22Å; V448-T452 WeakPolarHBondContact O-CG2 3.17Å; V448-T452 PolarHBondContact O-N 3.49Å; V448-T452 PolarHBondContact O-OG1 2.92Å; T452-L454 PolarHBondContact O-N 3.44Å; T452-L454 PolarHBondContact OG1-N 3.03Å; T452-F548 HydrophobicContact CG2-CE1 4.29Å; T452-M552 HydrophobicContact CG2-CB 3.75Å; T452-M552 HydrophobicContact CG2-CG 3.97Å
453Q96.2Very high97.7Very high149 Ų14941.7 Ų41.770%0.69621%0.211SC*.  trans5721.3-170.7-52.6-175.1-55.400113.7E449 M559E449-Q453 VanDerWaalsContact O-CA 3.31Å; E449-Q453 WeakPolarHBondContact O-CA 3.5Å; E449-Q453 PolarHBondContact O-N 3.36Å; Q453-M559 HydrophobicContact CG-CE 4.44Å
454L97.2Very high97.7Very high35 Ų3541.5 Ų41.518%0.18321%0.21CC..SBendtrans-101.3151.6177.1-64.4175000111.1C426 L429 T452 V456C426-L454 VanDerWaalsContact SG-CD1 3.52Å; L429-L454 HydrophobicContact CD1-CD1 4.29Å; L429-L454 HydrophobicContact CD2-CD1 3.97Å; L429-L454 HydrophobicContact CG-CB 4.33Å; L429-L454 HydrophobicContact CG-CD1 3.98Å; T452-L454 PolarHBondContact O-N 3.44Å; T452-L454 PolarHBondContact OG1-N 3.03Å; L454-V456 PolarHBondContact O-N 3.38Å
455P98.2Very high97.6Very high80 Ų8043.6 Ų43.652%0.51922%0.221SC..  trans-57.6124.7163.5-19.831.4000110.7R427 R428 L429R427-P455 VanDerWaalsContact O-CD 3.28Å; R427-P455 WeakPolarHBondContact O-CD 3.47Å; R428-P455 HydrophobicContact CG-CB 4.43Å; L429-P455 PolarHBondContact N-O 2.98Å
456V98.5Very high97.5Very high4 Ų444.5 Ų44.52%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-113.3117.2174.5-175.70000109.3L429 M431 R445 V448 E449 L454 V458L429-V456 HydrophobicContact CB-CG2 4.27Å; L429-V456 HydrophobicContact CD1-CG2 4.24Å; L429-V456 WeakPolarHBondContact O-CA 3.05Å; M431-V456 HydrophobicContact CE-CG1 3.64Å; M431-V456 HydrophobicContact CG-CG1 4.36Å; M431-V456 HydrophobicContact SD-CG1 4.1Å; R445-V456 HydrophobicContact CG-CB 4.31Å; R445-V456 HydrophobicContact CG-CG1 4.16Å; V448-V456 HydrophobicContact CB-CG2 4.24Å; V448-V456 HydrophobicContact CG1-CG2 3.73Å; E449-V456 HydrophobicContact CB-CG2 4.37Å; E449-V456 HydrophobicContact CG-CB 3.61Å; E449-V456 HydrophobicContact CG-CG2 3.47Å; E449-V456 VanDerWaalsContact CG-CG2 3.47Å; L454-V456 PolarHBondContact O-N 3.38Å; V456-V458 HydrophobicContact CG1-CG2 4.35Å
457M98.3Very high97.5Very high53 Ų5347.4 Ų47.426%0.26124%0.243SC..EExtended strand (participates in β ladder)trans-97.7140170.8-67.7-177.457.900109.6R428 L429 I430 M431 E459R428-M457 PolarHBondContact NH1-SD 3.18Å; L429-M457 PolarHBondContact O-N 2.73Å; I430-M457 CarbonylContact C-O 3.54Å; I430-M457 WeakPolarHBondContact CA-O 3.26Å; I430-M457 HydrophobicContact CG1-CB 4.44Å; I430-M457 HydrophobicContact CG2-CB 4.35Å; M431-M457 PolarHBondContact N-O 3.36Å; M457-E459 HydrophobicContact CE-CG 4.37Å; M457-E459 VanDerWaalsContact CE-OE1 3.23Å; M457-E459 WeakPolarHBondContact CE-OE1 3.42Å
458V98.5Very high97.3Very high17 Ų1754.3 Ų54.310%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-125.9118.3175.4-175.80000107.7M431 Y438 A441 V442 R445 V456M431-V458 HydrophobicContact CB-CG2 4.33Å; M431-V458 WeakPolarHBondContact O-CA 3.17Å; M431-V458 HydrophobicContact SD-CG2 4.31Å; Y438-V458 HydrophobicContact CD2-CG1 3.9Å; Y438-V458 HydrophobicContact CE2-CG1 3.67Å; A441-V458 HydrophobicContact CB-CG1 3.51Å; A441-V458 HydrophobicContact CB-CG2 4.44Å; V442-V458 HydrophobicContact CG2-CG1 3.92Å; R445-V458 HydrophobicContact CB-CG2 4Å; R445-V458 HydrophobicContact CG-CG2 4.02Å; V456-V458 HydrophobicContact CG1-CG2 4.35Å
459E98.3Very high97.3Very high29 Ų2954.5 Ų54.514%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-128.7140.9-167.1-69-72.9-172.400110.5I430 M431 L432 A433 M457 F464 R467I430-E459 HydrophobicContact CG2-CG 4.5Å; M431-E459 PolarHBondContact O-N 2.96Å; L432-E459 HydrophobicContact CD2-CB 3.69Å; A433-E459 PolarHBondContact N-O 3Å; M457-E459 HydrophobicContact CE-CG 4.37Å; M457-E459 VanDerWaalsContact CE-OE1 3.23Å; M457-E459 WeakPolarHBondContact CE-OE1 3.42Å; E459-F464 HydrophobicContact CB-CB 4.34Å; E459-F464 HydrophobicContact CB-CD2 4.12Å; E459-F464 HydrophobicContact CG-CD2 4.15Å; E459-R467 IonicContact OE1-NH2 3.56Å; E459-R467 PolarHBondContact OE1-NH2 2.75Å; E459-R467 IonicContact OE2-NH2 2.61Å; E459-R467 PolarHBondContact OE2-NH2 3.41Å
460L98.2Very high97.2Very high70 Ų7055.6 Ų55.637%0.36629%0.288SS..EExtended strand (participates in β ladder)trans-73.6126.9167.7-76.7168.1000108.1Y438 S462 D463 F464Y438-L460 HydrophobicContact CD1-CD2 3.89Å; Y438-L460 HydrophobicContact CD1-CG 4.43Å; Y438-L460 HydrophobicContact CD2-CD2 3.71Å; Y438-L460 HydrophobicContact CD2-CG 3.87Å; Y438-L460 HydrophobicContact CE1-CD2 4.38Å; Y438-L460 HydrophobicContact CE1-CG 4.46Å; Y438-L460 HydrophobicContact CE2-CD2 4.19Å; Y438-L460 HydrophobicContact CE2-CG 3.87Å; Y438-L460 HydrophobicContact CG-CD2 3.54Å; Y438-L460 HydrophobicContact CG-CG 4.16Å; L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.34Å; L460-D463 HydrophobicContact CB-CB 4.35Å; L460-D463 PolarHBondContact O-N 3.12Å; L460-F464 WeakPolarHBondContact O-CB 3.35Å; L460-F464 PolarHBondContact O-N 3.08Å
461A97.4Very high97.2Very high0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-61.6-33-170.800000113.7A433 L465 D488 A492A433-A461 PolarHBondContact O-N 3.37Å; A433-A461 VanDerWaalsContact O-N 3.1Å; A461-L465 WeakPolarHBondContact O-CG 3.17Å; A461-L465 PolarHBondContact O-N 2.82Å; A461-D488 HydrophobicContact CB-CB 3.91Å; A461-A492 HydrophobicContact CB-CB 4.18Å
462S95.4Very high97.1Very high48 Ų4858.6 Ų58.634%0.33630%0.301SS..Hα-helixtrans-66.2-53.7175.954.10000112.1L460 F464 L465 D466L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.34Å; S462-F464 VanDerWaalsContact C-N 3.25Å; S462-F464 PolarHBondContact O-N 3.35Å; S462-L465 WeakPolarHBondContact O-CB 3.39Å; S462-L465 PolarHBondContact O-N 3.09Å; S462-L465 VanDerWaalsContact O-N 3.13Å; S462-D466 PolarHBondContact O-N 3.19Å
463D97.7Very high97.1Very high66 Ų6668 Ų6835%0.35333%0.334SS..Hα-helixtrans-61.4-35.6177.7-179.469.6000111.8L460 L465 D466 R467L460-D463 HydrophobicContact CB-CB 4.35Å; L460-D463 PolarHBondContact O-N 3.12Å; D463-L465 VanDerWaalsContact C-N 3.33Å; D463-L465 PolarHBondContact O-N 3.34Å; D463-D466 PolarHBondContact O-N 2.94Å; D463-R467 WeakPolarHBondContact O-CB 3.4Å; D463-R467 VanDerWaalsContact O-CG 3.29Å; D463-R467 WeakPolarHBondContact O-CG 3.31Å; D463-R467 PolarHBondContact O-N 2.85Å; D463-R467 IonicContact OD1-NE 3.83Å; D463-R467 IonicContact OD2-CZ 3.36Å; D463-R467 IonicContact OD2-NE 2.76Å; D463-R467 PolarHBondContact OD2-NE 3.42Å; D463-R467 IonicContact OD2-NH2 2.64Å
464F97.6Very high97.1Very high0 Ų063.8 Ų63.80%032%0.317CS..Hα-helixtrans-59.8-41.6175.5179.6-99.1000113.1I430 L432 E459 L460 S462 Q468 T469 I471 A492 Y495I430-F464 HydrophobicContact CG2-CE2 4.27Å; L432-F464 HydrophobicContact CD1-CD1 4.29Å; L432-F464 HydrophobicContact CD1-CE1 3.81Å; L432-F464 HydrophobicContact CD1-CE2 4.28Å; L432-F464 HydrophobicContact CD1-CZ 3.78Å; L432-F464 HydrophobicContact CD2-CB 3.71Å; L432-F464 HydrophobicContact CD2-CD1 3.63Å; L432-F464 HydrophobicContact CD2-CD2 3.53Å; L432-F464 HydrophobicContact CD2-CE1 3.96Å; L432-F464 HydrophobicContact CD2-CE2 3.87Å; L432-F464 HydrophobicContact CD2-CG 3.35Å; L432-F464 HydrophobicContact CD2-CZ 4.05Å; E459-F464 HydrophobicContact CB-CB 4.34Å; E459-F464 HydrophobicContact CB-CD2 4.12Å; E459-F464 HydrophobicContact CG-CD2 4.15Å; L460-F464 WeakPolarHBondContact O-CB 3.35Å; L460-F464 PolarHBondContact O-N 3.08Å; S462-F464 VanDerWaalsContact C-N 3.25Å; S462-F464 PolarHBondContact O-N 3.35Å; F464-Q468 PolarHBondContact O-N 3.19Å; F464-T469 HydrophobicContact CD2-CG2 3.73Å; F464-T469 VanDerWaalsContact CD2-OG1 3.3Å; F464-T469 WeakPolarHBondContact CD2-OG1 3.46Å; F464-T469 HydrophobicContact CE2-CG2 3.55Å; F464-T469 PolarHBondContact O-N 3.2Å; F464-T469 VanDerWaalsContact O-N 3.12Å; F464-T469 PolarHBondContact O-OG1 2.84Å; F464-T469 VanDerWaalsContact O-OG1 3.08Å; F464-I471 HydrophobicContact CE1-CD1 3.93Å; F464-I471 HydrophobicContact CE2-CG1 4.49Å; F464-I471 HydrophobicContact CZ-CD1 3.45Å; F464-I471 VanDerWaalsContact CZ-CD1 3.45Å; F464-I471 HydrophobicContact CZ-CG1 3.81Å; F464-A492 HydrophobicContact CD1-CB 4Å; F464-A492 HydrophobicContact CE1-CB 4.31Å; F464-Y495 HydrophobicContact CD1-CD1 4.49Å; F464-Y495 AromaticContact CE1-CD1 3.76Å; F464-Y495 HydrophobicContact CE1-CD1 3.76Å; F464-Y495 HydrophobicContact CE1-CE1 4.11Å; F464-Y495 HydrophobicContact CZ-CD1 4.45Å; F464-Y495 HydrophobicContact CZ-CE1 4.48Å
465L95.7Very high97.2Very high43 Ų4362.3 Ų62.323%0.22531%0.309CS..Hα-helixtrans-70.4-46.5175.8-73.3169000111.2A461 S462 D463 R467 Q468 N491 A492 Y495A461-L465 WeakPolarHBondContact O-CG 3.17Å; A461-L465 PolarHBondContact O-N 2.82Å; S462-L465 WeakPolarHBondContact O-CB 3.39Å; S462-L465 PolarHBondContact O-N 3.09Å; S462-L465 VanDerWaalsContact O-N 3.13Å; D463-L465 VanDerWaalsContact C-N 3.33Å; D463-L465 PolarHBondContact O-N 3.34Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.28Å; L465-Q468 PolarHBondContact O-N 3.01Å; L465-N491 HydrophobicContact CD1-CB 3.7Å; L465-N491 HydrophobicContact CD2-CB 4.49Å; L465-A492 HydrophobicContact CD1-CB 4.49Å; L465-A492 HydrophobicContact CD2-CB 4.39Å; L465-A492 HydrophobicContact CG-CB 4.27Å; L465-Y495 HydrophobicContact CD2-CG 4.4Å
466D97.2Very high97.2Very high132 Ų13258.6 Ų58.671%0.70629%0.285SS*.Hα-helixtrans-58.5-41179.5-71.3-20.7000111.8S462 D463 Q468S462-D466 PolarHBondContact O-N 3.19Å; D463-D466 PolarHBondContact O-N 2.94Å; D466-Q468 VanDerWaalsContact C-N 3.27Å; D466-Q468 PolarHBondContact O-N 3.31Å
467R97.1Very high97.2Very high120 Ų12058.4 Ų58.445%0.45328%0.284SS..THydrogen-bonded Turntrans-79.4-6.6177.5-64-169.2-61.8116.3-8.8113.8E459 D463 L465 T469E459-R467 IonicContact OE1-NH2 3.56Å; E459-R467 PolarHBondContact OE1-NH2 2.75Å; E459-R467 IonicContact OE2-NH2 2.61Å; E459-R467 PolarHBondContact OE2-NH2 3.41Å; D463-R467 WeakPolarHBondContact O-CB 3.4Å; D463-R467 VanDerWaalsContact O-CG 3.29Å; D463-R467 WeakPolarHBondContact O-CG 3.31Å; D463-R467 PolarHBondContact O-N 2.85Å; D463-R467 IonicContact OD1-NE 3.83Å; D463-R467 IonicContact OD2-CZ 3.36Å; D463-R467 IonicContact OD2-NE 2.76Å; D463-R467 PolarHBondContact OD2-NE 3.42Å; D463-R467 IonicContact OD2-NH2 2.64Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.28Å; R467-T469 PolarHBondContact O-N 3.22Å
468Q94.9Very high97.2Very high146 Ų14656 Ų5668%0.68227%0.272SS*.THydrogen-bonded Turntrans45.152.6-171.3-62.3-174.9-16.800111.5F464 L465 D466 Y495F464-Q468 PolarHBondContact O-N 3.19Å; L465-Q468 PolarHBondContact O-N 3.01Å; D466-Q468 VanDerWaalsContact C-N 3.27Å; D466-Q468 PolarHBondContact O-N 3.31Å; Q468-Y495 PolarHBondContact O-OH 2.86Å
469T97.1Very high97.2Very high5 Ų555.2 Ų55.23%0.03127%0.267CS..  trans-53.6137.9-166.8-58.80000111.9F464 R467 I471 Y495F464-T469 HydrophobicContact CD2-CG2 3.73Å; F464-T469 VanDerWaalsContact CD2-OG1 3.3Å; F464-T469 WeakPolarHBondContact CD2-OG1 3.46Å; F464-T469 HydrophobicContact CE2-CG2 3.55Å; F464-T469 PolarHBondContact O-N 3.2Å; F464-T469 VanDerWaalsContact O-N 3.12Å; F464-T469 PolarHBondContact O-OG1 2.84Å; F464-T469 VanDerWaalsContact O-OG1 3.08Å; R467-T469 PolarHBondContact O-N 3.22Å; T469-I471 PolarHBondContact O-N 3.06Å; T469-Y495 WeakPolarHBondContact O-CE1 3.41Å; T469-Y495 PolarHBondContact O-OH 2.94Å; T469-Y495 VanDerWaalsContact O-OH 3.07Å
470P97.1Very high97.2Very high83 Ų8353.9 Ų53.954%0.53926%0.26SS..  trans-66127.5178.7-24.134.5000113.6R428 F472R428-P470 PolarHBondContact NH2-O 2.75Å; R428-P470 VanDerWaalsContact NH2-O 3.07Å; P470-F472 HydrophobicContact CB-CZ 4.44Å
471I96.3Very high97.2Very high16 Ų1650.6 Ų50.68%0.08224%0.244CC..  trans-126.9140.5179-55.1169.2000109F464 T469 D475 Y495 S496 K499 A501F464-I471 HydrophobicContact CE1-CD1 3.93Å; F464-I471 HydrophobicContact CE2-CG1 4.49Å; F464-I471 HydrophobicContact CZ-CD1 3.45Å; F464-I471 VanDerWaalsContact CZ-CD1 3.45Å; F464-I471 HydrophobicContact CZ-CG1 3.81Å; T469-I471 PolarHBondContact O-N 3.06Å; I471-D475 WeakPolarHBondContact CA-OD2 3.37Å; I471-D475 HydrophobicContact CG2-CB 4.34Å; I471-Y495 HydrophobicContact CD1-CD1 3.55Å; I471-Y495 HydrophobicContact CD1-CE1 3.41Å; I471-Y495 VanDerWaalsContact CD1-CE1 3.41Å; I471-Y495 HydrophobicContact CG1-CE1 4.17Å; I471-S496 VanDerWaalsContact CD1-CA 3.5Å; I471-S496 WeakPolarHBondContact CD1-OG 3.47Å; I471-K499 HydrophobicContact CB-CB 3.89Å; I471-K499 HydrophobicContact CB-CG 4.13Å; I471-K499 HydrophobicContact CD1-CG 4.28Å; I471-K499 HydrophobicContact CG2-CB 3.99Å; I471-A501 HydrophobicContact CG2-CB 3.66Å
472F96.5Very high97.1Very high115 Ų11551.7 Ų51.750%0.50425%0.249SC..  trans-117.9164.7179.6-54.4-76.7000111.2P470 D474 D475P470-F472 HydrophobicContact CB-CZ 4.44Å; F472-D474 VanDerWaalsContact CB-OD1 3.25Å; F472-D474 WeakPolarHBondContact CB-OD1 3.48Å; F472-D474 PolarHBondContact O-N 3.15Å; F472-D475 PolarHBondContact N-OD2 2.79Å; F472-D475 WeakPolarHBondContact O-CB 3.46Å; F472-D475 PolarHBondContact O-N 3.4Å
473R96.2Very high96.8Very high218 Ų21850 Ų5082%0.82324%0.237SC*.THydrogen-bonded Turntrans-69.5-21.8-177.6-67.8-179177.3168.1-2.1113.7
474D96.6Very high96.6Very high60 Ų6046.9 Ų46.932%0.32122%0.22SC..THydrogen-bonded Turntrans-95.912.6177.362.4-29.3000113.1C426 R427 F472C426-D474 VanDerWaalsContact CA-O 3.32Å; C426-D474 WeakPolarHBondContact CA-O 3.36Å; C426-D474 VanDerWaalsContact CB-O 3.22Å; C426-D474 WeakPolarHBondContact CB-O 3.19Å; R427-D474 WeakPolarHBondContact CD-OD2 3.26Å; R427-D474 WeakPolarHBondContact CG-OD2 3.41Å; R427-D474 PolarHBondContact N-O 2.91Å; R427-D474 IonicContact NE-OD2 2.73Å; F472-D474 VanDerWaalsContact CB-OD1 3.25Å; F472-D474 WeakPolarHBondContact CB-OD1 3.48Å; F472-D474 PolarHBondContact O-N 3.15Å
475D98.1Very high96Very high4 Ų447.6 Ų47.62%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-85.8145168-68.7-37.7000111.1R428 I430 I471 F472 A501 L502R428-D475 WeakPolarHBondContact CB-OD1 2.85Å; R428-D475 IonicContact CZ-OD1 2.89Å; R428-D475 IonicContact CZ-OD2 3.47Å; R428-D475 IonicContact NE-OD1 2.87Å; R428-D475 PolarHBondContact NE-OD1 2.92Å; R428-D475 IonicContact NE-OD2 3.47Å; R428-D475 IonicContact NH2-OD1 3.78Å; R428-D475 PolarHBondContact NH2-OD1 3.4Å; R428-D475 IonicContact NH2-OD2 3.15Å; R428-D475 PolarHBondContact NH2-OD2 3.23Å; I430-D475 HydrophobicContact CD1-CB 4.32Å; I471-D475 WeakPolarHBondContact CA-OD2 3.37Å; I471-D475 HydrophobicContact CG2-CB 4.34Å; F472-D475 PolarHBondContact N-OD2 2.79Å; F472-D475 WeakPolarHBondContact O-CB 3.46Å; F472-D475 PolarHBondContact O-N 3.4Å; D475-A501 HydrophobicContact CB-CB 4.33Å; D475-L502 PolarHBondContact O-N 2.65Å; D475-L502 VanDerWaalsContact O-N 3.08Å
476V98.4Very high95.8Very high2 Ų246.5 Ų46.51%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-110.7117.9165.6177.50000108.4I423 C426 R428 L429 I430 F478 L502 V504I423-V476 HydrophobicContact CB-CG2 4.49Å; I423-V476 HydrophobicContact CG1-CG1 4.49Å; I423-V476 HydrophobicContact CG1-CG2 4.37Å; I423-V476 HydrophobicContact CG2-CG2 4.32Å; C426-V476 HydrophobicContact CB-CB 4.43Å; C426-V476 HydrophobicContact CB-CG2 3.4Å; C426-V476 VanDerWaalsContact CB-CG2 3.4Å; C426-V476 VanDerWaalsContact SG-CG2 3.57Å; R428-V476 PolarHBondContact O-N 2.88Å; L429-V476 WeakPolarHBondContact CA-O 2.95Å; L429-V476 HydrophobicContact CD2-CB 3.76Å; L429-V476 HydrophobicContact CD2-CG1 4.3Å; L429-V476 HydrophobicContact CD2-CG2 4.35Å; I430-V476 PolarHBondContact N-O 3.32Å; V476-F478 HydrophobicContact CG1-CD2 4.31Å; V476-F478 HydrophobicContact CG1-CE2 3.71Å; V476-F478 HydrophobicContact CG1-CZ 4.16Å; V476-L502 HydrophobicContact CG2-CB 4.19Å; V476-L502 HydrophobicContact CG2-CD2 4.19Å; V476-V504 HydrophobicContact CG1-CG2 3.65Å
477C98.5Very high95.2Very high0 Ų040.7 Ų40.70%019%0.189CC..EExtended strand (participates in β ladder)trans-102.4121.1-179.5-64.60000110.7I430 L432 F479 L502 I503 V504I430-C477 CarbonylContact O-C 3.51Å; I430-C477 VanDerWaalsContact O-CA 3.29Å; I430-C477 WeakPolarHBondContact O-CA 3.42Å; L432-C477 HydrophobicContact CD1-CB 4.49Å; C477-F479 HydrophobicContact CB-CD2 4.5Å; C477-F479 HydrophobicContact CB-CE2 3.47Å; C477-F479 VanDerWaalsContact CB-CE2 3.47Å; C477-F479 HydrophobicContact CB-CZ 3.73Å; C477-F479 WeakPolarHBondContact O-CE2 3.27Å; C477-L502 PolarHBondContact N-O 3.21Å; C477-I503 HydrophobicContact CB-CD1 4.16Å; C477-V504 PolarHBondContact O-N 3.48Å
478F98.6Very high95.1Very high2 Ų237 Ų371%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-92.8132.4172.2-69.9-96.5000110.5L429 I430 M431 L432 V476 V504 I506 F548L429-F478 HydrophobicContact CB-CE2 4.41Å; L429-F478 HydrophobicContact CD1-CE2 4.47Å; L429-F478 HydrophobicContact CD2-CE2 4.17Å; I430-F478 PolarHBondContact O-N 2.83Å; M431-F478 HydrophobicContact CB-CB 4.44Å; M431-F478 HydrophobicContact CG-CB 4.12Å; M431-F478 HydrophobicContact CG-CD2 4.36Å; M431-F478 HydrophobicContact CG-CG 4.45Å; L432-F478 PolarHBondContact N-O 2.67Å; V476-F478 HydrophobicContact CG1-CD2 4.31Å; V476-F478 HydrophobicContact CG1-CE2 3.71Å; V476-F478 HydrophobicContact CG1-CZ 4.16Å; F478-V504 CarbonylContact C-O 3.55Å; F478-V504 VanDerWaalsContact CA-O 3.3Å; F478-V504 WeakPolarHBondContact CA-O 3.07Å; F478-V504 HydrophobicContact CD1-CB 3.81Å; F478-V504 HydrophobicContact CD1-CG1 3.8Å; F478-V504 HydrophobicContact CE1-CB 3.87Å; F478-V504 HydrophobicContact CE1-CG1 3.64Å; F478-V504 HydrophobicContact CE1-CG2 4.22Å; F478-V504 HydrophobicContact CG-CB 4.33Å; F478-V504 HydrophobicContact CZ-CB 4.4Å; F478-V504 HydrophobicContact CZ-CG1 4.47Å; F478-V504 HydrophobicContact CZ-CG2 4.3Å; F478-I506 HydrophobicContact CD1-CD1 3.76Å; F478-I506 HydrophobicContact CD1-CG1 4.27Å; F478-I506 HydrophobicContact CE1-CD1 4.36Å; F478-F548 HydrophobicContact CE1-CD1 4.38Å; F478-F548 HydrophobicContact CE1-CD2 4.16Å; F478-F548 HydrophobicContact CE1-CE1 4.38Å; F478-F548 HydrophobicContact CE1-CE2 4.16Å; F478-F548 HydrophobicContact CE1-CG 4.29Å; F478-F548 HydrophobicContact CE1-CZ 4.28Å; F478-F548 HydrophobicContact CE2-CE1 4.23Å; F478-F548 HydrophobicContact CE2-CZ 4.16Å; F478-F548 HydrophobicContact CZ-CD1 4.05Å; F478-F548 HydrophobicContact CZ-CD2 4.05Å; F478-F548 AromaticContact CZ-CE1 3.61Å; F478-F548 HydrophobicContact CZ-CE1 3.61Å; F478-F548 AromaticContact CZ-CE2 3.62Å; F478-F548 HydrophobicContact CZ-CE2 3.62Å; F478-F548 HydrophobicContact CZ-CG 4.27Å; F478-F548 AromaticContact CZ-CZ 3.39Å; F478-F548 HydrophobicContact CZ-CZ 3.39Å
479F98.6Very high95.1Very high0 Ų030 Ų300%015%0.145CC..EExtended strand (participates in β ladder)trans-115.4104.5175.5-63.7-84.7000109L432 C477 T489 A492 L493 I503 V504 I506 I514L432-F479 HydrophobicContact CB-CD1 3.93Å; L432-F479 HydrophobicContact CB-CE1 3.84Å; L432-F479 HydrophobicContact CD1-CD1 4.3Å; L432-F479 HydrophobicContact CD1-CE1 3.38Å; L432-F479 HydrophobicContact CD1-CZ 3.57Å; L432-F479 HydrophobicContact CG-CE1 4.23Å; L432-F479 WeakPolarHBondContact O-CA 3.47Å; C477-F479 HydrophobicContact CB-CD2 4.5Å; C477-F479 HydrophobicContact CB-CE2 3.47Å; C477-F479 VanDerWaalsContact CB-CE2 3.47Å; C477-F479 HydrophobicContact CB-CZ 3.73Å; C477-F479 WeakPolarHBondContact O-CE2 3.27Å; F479-T489 HydrophobicContact CB-CG2 4.09Å; F479-T489 HydrophobicContact CD1-CG2 3.98Å; F479-T489 WeakPolarHBondContact CD1-O 3.44Å; F479-A492 VanDerWaalsContact CE1-C 3.47Å; F479-A492 HydrophobicContact CE1-CB 4.01Å; F479-L493 HydrophobicContact CB-CD1 4.29Å; F479-L493 HydrophobicContact CD1-CB 3.67Å; F479-L493 HydrophobicContact CD1-CG 4.39Å; F479-L493 HydrophobicContact CD2-CB 4.15Å; F479-L493 HydrophobicContact CD2-CD1 3.93Å; F479-L493 HydrophobicContact CD2-CG 3.99Å; F479-L493 HydrophobicContact CE1-CB 3.65Å; F479-L493 HydrophobicContact CE1-CG 4.45Å; F479-L493 HydrophobicContact CE2-CB 4.15Å; F479-L493 HydrophobicContact CE2-CG 4.07Å; F479-L493 HydrophobicContact CG-CB 3.93Å; F479-L493 HydrophobicContact CG-CD1 3.95Å; F479-L493 HydrophobicContact CG-CG 4.17Å; F479-L493 HydrophobicContact CZ-CB 3.91Å; F479-L493 HydrophobicContact CZ-CG 4.31Å; F479-I503 HydrophobicContact CD2-CG2 3.68Å; F479-I503 HydrophobicContact CE2-CB 4.49Å; F479-I503 HydrophobicContact CE2-CD1 3.76Å; F479-I503 HydrophobicContact CE2-CG2 3.67Å; F479-I503 HydrophobicContact CZ-CD1 4.32Å; F479-V504 PolarHBondContact N-O 2.91Å; F479-I506 PolarHBondContact O-N 2.88Å; F479-I514 HydrophobicContact CB-CG2 3.92Å
480I98.5Very high94.9Very high1 Ų130.1 Ų30.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-101.2113-174.3-44.8-173.4000108.9L432 A433 S437 A441 I506 Q541 L545L432-I480 PolarHBondContact O-N 2.89Å; A433-I480 HydrophobicContact CB-CB 4.06Å; A433-I480 WeakPolarHBondContact CB-O 3.44Å; S437-I480 WeakPolarHBondContact CB-O 3.42Å; A441-I480 HydrophobicContact CB-CD1 3.91Å; I480-I506 HydrophobicContact CD1-CD1 4.4Å; I480-I506 HydrophobicContact CG1-CB 4.3Å; I480-I506 HydrophobicContact CG1-CD1 4.32Å; I480-I506 HydrophobicContact CG2-CB 4.32Å; I480-I506 HydrophobicContact CG2-CG2 4.2Å; I480-Q541 HydrophobicContact CG2-CB 4.25Å; I480-Q541 HydrophobicContact CG2-CG 3.75Å; I480-L545 HydrophobicContact CD1-CD1 3.93Å; I480-L545 HydrophobicContact CD1-CD2 4.03Å; I480-L545 HydrophobicContact CD1-CG 4.36Å
481S97.4Very high94.7Very high2 Ų228.2 Ų28.21%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-149.7124.8179.7176.10000110.7S483 G484 T486 I506 T507S481-S483 VanDerWaalsContact C-N 3.33Å; S481-S483 PolarHBondContact O-N 3.38Å; S481-S483 PolarHBondContact OG-OG 3.09Å; S481-G484 PolarHBondContact O-N 3.31Å; S481-G484 PolarHBondContact OG-N 3.45Å; S481-T486 PolarHBondContact OG-OG1 3.26Å; S481-I506 PolarHBondContact N-O 3.4Å; S481-T507 VanDerWaalsContact O-CA 3.27Å; S481-T507 WeakPolarHBondContact O-CA 3.47Å
482Q94.7Very high94.7Very high23 Ų2327.4 Ų27.411%0.10713%0.127CC..SBendtrans-57.3-48.7175.2-178.3-80.8-20.900110.9N508 A537Q482-N508 HydrophobicContact CG-CB 4.22Å; Q482-N508 WeakPolarHBondContact O-CA 3.46Å; Q482-N508 WeakPolarHBondContact O-CB 3.08Å; Q482-N508 PolarHBondContact O-N 3.23Å; Q482-N508 VanDerWaalsContact O-N 3.15Å; Q482-A537 HydrophobicContact CB-CB 4.06Å; Q482-A537 HydrophobicContact CG-CB 3.51Å
483S90.4Very high94.8Very high12 Ų1222 Ų228%0.08410%0.103CC..SBendtrans-80.2-26.6-176.661.70000113.1S481 E485 V509 S512 S738S481-S483 VanDerWaalsContact C-N 3.33Å; S481-S483 PolarHBondContact O-N 3.38Å; S481-S483 PolarHBondContact OG-OG 3.09Å; S483-E485 PolarHBondContact O-N 3.37Å; S483-E485 PolarHBondContact OG-N 3.42Å; S483-V509 WeakPolarHBondContact O-CB 3.48Å; S483-S512 WeakPolarHBondContact O-CB 3.43Å; S483-S738 VanDerWaalsContact CB-OG 3.23Å; S483-S738 WeakPolarHBondContact CB-OG 3.32Å; S483-S738 PolarHBondContact OG-OG 3.07Å
484G92.3Very high94.7Very high0 Ų015.2 Ų15.20%08%0.077CC..SBendtrans70.213.1-171.600000113.8S481 S513 I514S481-G484 PolarHBondContact O-N 3.31Å; S481-G484 PolarHBondContact OG-N 3.45Å; G484-S513 PolarHBondContact O-N 2.92Å; G484-I514 WeakPolarHBondContact O-CB 3.47Å; G484-I514 WeakPolarHBondContact O-CG1 3.48Å; G484-I514 PolarHBondContact O-N 2.99Å
485E86.9Confident94.7Very high15 Ų1514.6 Ų14.67%0.077%0.071CC..  trans-130.810.5-174.3-58.1-64.5165.600112.2P246 S483 A487 S512 S513 T740P246-E485 HydrophobicContact CG-CG 3.7Å; S483-E485 PolarHBondContact O-N 3.37Å; S483-E485 PolarHBondContact OG-N 3.42Å; E485-A487 PolarHBondContact O-N 2.96Å; E485-S512 VanDerWaalsContact OE1-CA 3.22Å; E485-S512 WeakPolarHBondContact OE1-CA 3.22Å; E485-S512 WeakPolarHBondContact OE1-CB 3.34Å; E485-S513 VanDerWaalsContact CD-OG 3.3Å; E485-S513 PolarHBondContact OE1-N 3.08Å; E485-S513 PolarHBondContact OE1-OG 2.65Å; E485-S513 VanDerWaalsContact OE2-CB 3.23Å; E485-S513 WeakPolarHBondContact OE2-CB 3.29Å; E485-S513 PolarHBondContact OE2-OG 3.34Å; E485-T740 HydrophobicContact CB-CG2 3.93Å; E485-T740 WeakPolarHBondContact O-CA 3.41Å
486T89.8Confident94.7Very high21 Ų2114.4 Ų14.413%0.1297%0.07CC..  trans-65.8118179.8-51.80000110.3C434 S481 D488 T489 L490 V739C434-T486 HydrophobicContact CB-CG2 4.24Å; S481-T486 PolarHBondContact OG-OG1 3.26Å; T486-D488 PolarHBondContact O-N 3.29Å; T486-T489 PolarHBondContact O-N 2.81Å; T486-T489 VanDerWaalsContact O-N 3.13Å; T486-L490 WeakPolarHBondContact O-CB 3.29Å; T486-L490 PolarHBondContact O-N 3.41Å; T486-V739 CarbonylContact C-O 3.52Å; T486-V739 WeakPolarHBondContact CA-O 3.49Å
487A85.8Confident94.5Very high9 Ų918.5 Ų18.57%0.0749%0.087CC..Hα-helixtrans-53.9-56.3-170.100000113.1E485 T489 L490 N491 V739E485-A487 PolarHBondContact O-N 2.96Å; A487-T489 VanDerWaalsContact C-N 3.28Å; A487-T489 PolarHBondContact O-N 3.4Å; A487-L490 PolarHBondContact O-N 3.15Å; A487-L490 VanDerWaalsContact O-N 3.12Å; A487-N491 WeakPolarHBondContact O-CB 3.46Å; A487-N491 PolarHBondContact O-N 3.4Å; A487-V739 PolarHBondContact N-O 2.78Å
488D93.4Very high94.4Very high42 Ų4222.7 Ų22.723%0.22512%0.117CC..Hα-helixtrans-58.7-40.2179.4-62-39.5000112A461 T486 A492A461-D488 HydrophobicContact CB-CB 3.91Å; T486-D488 PolarHBondContact O-N 3.29Å; D488-A492 WeakPolarHBondContact O-CB 3.3Å; D488-A492 PolarHBondContact O-N 2.8Å
489T96Very high94.3Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-68.4-38.9178.5-500000111.6F479 T486 A487 L493 I514F479-T489 HydrophobicContact CB-CG2 4.09Å; F479-T489 HydrophobicContact CD1-CG2 3.98Å; F479-T489 WeakPolarHBondContact CD1-O 3.44Å; T486-T489 PolarHBondContact O-N 2.81Å; T486-T489 VanDerWaalsContact O-N 3.13Å; A487-T489 VanDerWaalsContact C-N 3.28Å; A487-T489 PolarHBondContact O-N 3.4Å; T489-L493 WeakPolarHBondContact O-CB 3.29Å; T489-L493 PolarHBondContact O-N 2.93Å; T489-I514 HydrophobicContact CG2-CD1 3.74Å
490L92.8Very high94.1Very high7 Ų729 Ų294%0.03716%0.155CC..Hα-helixtrans-69.7-41.1176.1-178.561.9000111.7T486 A487 L493 R494 I514T486-L490 WeakPolarHBondContact O-CB 3.29Å; T486-L490 PolarHBondContact O-N 3.41Å; A487-L490 PolarHBondContact O-N 3.15Å; A487-L490 VanDerWaalsContact O-N 3.12Å; L490-L493 VanDerWaalsContact O-CB 3.32Å; L490-L493 WeakPolarHBondContact O-CB 3.38Å; L490-L493 PolarHBondContact O-N 2.71Å; L490-R494 WeakPolarHBondContact O-CG 3.25Å; L490-R494 PolarHBondContact O-N 3.01Å; L490-I514 HydrophobicContact CB-CG1 4.32Å; L490-I514 HydrophobicContact CD1-CG1 3.96Å
491N92.6Very high94Very high43 Ų4329 Ų2923%0.2316%0.156CC..Hα-helixtrans-65.7-41.2175.2-74.1-16.6000111.2L465 A487 L493 R494 Y495 E742L465-N491 HydrophobicContact CD1-CB 3.7Å; L465-N491 HydrophobicContact CD2-CB 4.49Å; A487-N491 WeakPolarHBondContact O-CB 3.46Å; A487-N491 PolarHBondContact O-N 3.4Å; N491-L493 VanDerWaalsContact C-N 3.28Å; N491-L493 PolarHBondContact O-N 3Å; N491-R494 PolarHBondContact O-N 2.61Å; N491-Y495 WeakPolarHBondContact O-CB 3.41Å; N491-Y495 PolarHBondContact O-N 3.24Å; N491-E742 PolarHBondContact ND2-OE1 3.29Å
492A96.9Very high94.1Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-60.8-37.7171.500000111.6L432 A461 F464 L465 F479 D488 Y495 S496L432-A492 HydrophobicContact CD1-CB 4.44Å; A461-A492 HydrophobicContact CB-CB 4.18Å; F464-A492 HydrophobicContact CD1-CB 4Å; F464-A492 HydrophobicContact CE1-CB 4.31Å; L465-A492 HydrophobicContact CD1-CB 4.49Å; L465-A492 HydrophobicContact CD2-CB 4.39Å; L465-A492 HydrophobicContact CG-CB 4.27Å; F479-A492 VanDerWaalsContact CE1-C 3.47Å; F479-A492 HydrophobicContact CE1-CB 4.01Å; D488-A492 WeakPolarHBondContact O-CB 3.3Å; D488-A492 PolarHBondContact O-N 2.8Å; A492-Y495 PolarHBondContact O-N 3.32Å; A492-S496 WeakPolarHBondContact O-CB 3.49Å; A492-S496 PolarHBondContact O-N 3.36Å; A492-S496 PolarHBondContact O-OG 3.34Å
493L97.3Very high94.2Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-60.5-51.8174.2-176.3158.3000111.6F479 T489 L490 N491 Y495 S496 K497 I503 I514 E517F479-L493 HydrophobicContact CB-CD1 4.29Å; F479-L493 HydrophobicContact CD1-CB 3.67Å; F479-L493 HydrophobicContact CD1-CG 4.39Å; F479-L493 HydrophobicContact CD2-CB 4.15Å; F479-L493 HydrophobicContact CD2-CD1 3.93Å; F479-L493 HydrophobicContact CD2-CG 3.99Å; F479-L493 HydrophobicContact CE1-CB 3.65Å; F479-L493 HydrophobicContact CE1-CG 4.45Å; F479-L493 HydrophobicContact CE2-CB 4.15Å; F479-L493 HydrophobicContact CE2-CG 4.07Å; F479-L493 HydrophobicContact CG-CB 3.93Å; F479-L493 HydrophobicContact CG-CD1 3.95Å; F479-L493 HydrophobicContact CG-CG 4.17Å; F479-L493 HydrophobicContact CZ-CB 3.91Å; F479-L493 HydrophobicContact CZ-CG 4.31Å; T489-L493 WeakPolarHBondContact O-CB 3.29Å; T489-L493 PolarHBondContact O-N 2.93Å; L490-L493 VanDerWaalsContact O-CB 3.32Å; L490-L493 WeakPolarHBondContact O-CB 3.38Å; L490-L493 PolarHBondContact O-N 2.71Å; N491-L493 VanDerWaalsContact C-N 3.28Å; N491-L493 PolarHBondContact O-N 3Å; L493-Y495 VanDerWaalsContact C-N 3.29Å; L493-Y495 PolarHBondContact O-N 3.26Å; L493-S496 PolarHBondContact O-N 3.2Å; L493-K497 VanDerWaalsContact O-CB 3.31Å; L493-K497 WeakPolarHBondContact O-CB 3.48Å; L493-K497 PolarHBondContact O-N 3.45Å; L493-I503 HydrophobicContact CD1-CG2 3.76Å; L493-I503 HydrophobicContact CD2-CG2 4.21Å; L493-I503 HydrophobicContact CG-CG2 3.66Å; L493-I514 HydrophobicContact CD1-CB 4.33Å; L493-I514 HydrophobicContact CD1-CG1 4.31Å; L493-I514 HydrophobicContact CD1-CG2 3.93Å; L493-E517 HydrophobicContact CD2-CB 3.75Å
494R95Very high94.6Very high76 Ų7628.4 Ų28.429%0.28715%0.152SC..Hα-helixtrans-60.3-41.7179.1-70.1167.9176.8178.9-5.2111.1S244 D334 L490 N491 K497 S498 E517S244-R494 PolarHBondContact OG-NH1 3.33Å; S244-R494 PolarHBondContact OG-NH2 2.81Å; D334-R494 IonicContact OD2-NH2 3.87Å; L490-R494 WeakPolarHBondContact O-CG 3.25Å; L490-R494 PolarHBondContact O-N 3.01Å; N491-R494 PolarHBondContact O-N 2.61Å; R494-K497 PolarHBondContact O-N 2.78Å; R494-S498 PolarHBondContact O-N 2.8Å; R494-E517 VanDerWaalsContact CG-OE2 3.25Å; R494-E517 WeakPolarHBondContact CG-OE2 3.35Å; R494-E517 IonicContact CZ-OE1 2.82Å; R494-E517 IonicContact CZ-OE2 3.41Å; R494-E517 IonicContact NE-OE1 2.9Å; R494-E517 PolarHBondContact NE-OE1 2.76Å; R494-E517 IonicContact NE-OE2 3.52Å; R494-E517 PolarHBondContact NE-OE2 3.24Å; R494-E517 IonicContact NH2-OE1 3.67Å; R494-E517 PolarHBondContact NH2-OE1 3.27Å; R494-E517 IonicContact NH2-OE2 3.32Å
495Y96.7Very high94.9Very high48 Ų4828.5 Ų28.519%0.18815%0.153CC..Hα-helixtrans-60-52.7173.4176.7-102.9000111.7F464 L465 Q468 T469 I471 N491 A492 L493 K497 S498 K499F464-Y495 HydrophobicContact CD1-CD1 4.49Å; F464-Y495 AromaticContact CE1-CD1 3.76Å; F464-Y495 HydrophobicContact CE1-CD1 3.76Å; F464-Y495 HydrophobicContact CE1-CE1 4.11Å; F464-Y495 HydrophobicContact CZ-CD1 4.45Å; F464-Y495 HydrophobicContact CZ-CE1 4.48Å; L465-Y495 HydrophobicContact CD2-CG 4.4Å; Q468-Y495 PolarHBondContact O-OH 2.86Å; T469-Y495 WeakPolarHBondContact O-CE1 3.41Å; T469-Y495 PolarHBondContact O-OH 2.94Å; T469-Y495 VanDerWaalsContact O-OH 3.07Å; I471-Y495 HydrophobicContact CD1-CD1 3.55Å; I471-Y495 HydrophobicContact CD1-CE1 3.41Å; I471-Y495 VanDerWaalsContact CD1-CE1 3.41Å; I471-Y495 HydrophobicContact CG1-CE1 4.17Å; N491-Y495 WeakPolarHBondContact O-CB 3.41Å; N491-Y495 PolarHBondContact O-N 3.24Å; A492-Y495 PolarHBondContact O-N 3.32Å; L493-Y495 VanDerWaalsContact C-N 3.29Å; L493-Y495 PolarHBondContact O-N 3.26Å; Y495-K497 VanDerWaalsContact C-N 3.33Å; Y495-K497 PolarHBondContact O-N 3.17Å; Y495-S498 WeakPolarHBondContact O-CB 3.37Å; Y495-S498 PolarHBondContact O-N 3.25Å; Y495-S498 VanDerWaalsContact O-N 3.16Å; Y495-S498 PolarHBondContact O-OG 3.1Å; Y495-K499 VanDerWaalsContact CE2-CE 3.47Å; Y495-K499 PolarHBondContact O-N 3.11Å
496S97.2Very high95.4Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-61.2-39.4179-58.80000113.3I471 A492 L493 S498 K499 G500 A501I471-S496 VanDerWaalsContact CD1-CA 3.5Å; I471-S496 WeakPolarHBondContact CD1-OG 3.47Å; A492-S496 WeakPolarHBondContact O-CB 3.49Å; A492-S496 PolarHBondContact O-N 3.36Å; A492-S496 PolarHBondContact O-OG 3.34Å; L493-S496 PolarHBondContact O-N 3.2Å; S496-S498 VanDerWaalsContact C-N 3.35Å; S496-K499 PolarHBondContact O-N 3.45Å; S496-K499 VanDerWaalsContact O-N 3.16Å; S496-G500 PolarHBondContact O-N 3.49Å; S496-A501 PolarHBondContact O-N 3.45Å
497K95.6Very high95.8Very high87 Ų8727 Ų2738%0.37815%0.145SC..Hα-helixtrans-63-41.7176.1-168.3172.9-175.11730111.2L493 R494 Y495 K499 G500 I503 E517L493-K497 VanDerWaalsContact O-CB 3.31Å; L493-K497 WeakPolarHBondContact O-CB 3.48Å; L493-K497 PolarHBondContact O-N 3.45Å; R494-K497 PolarHBondContact O-N 2.78Å; Y495-K497 VanDerWaalsContact C-N 3.33Å; Y495-K497 PolarHBondContact O-N 3.17Å; K497-K499 PolarHBondContact O-N 2.94Å; K497-G500 PolarHBondContact O-N 2.96Å; K497-I503 HydrophobicContact CB-CD1 4.31Å; K497-I503 HydrophobicContact CB-CG1 4.12Å; K497-I503 HydrophobicContact CG-CG1 4.38Å; K497-E517 PolarHBondContact NZ-O 2.98Å
498S95.5Very high96.2Very high88 Ų8827 Ų2762%0.61514%0.144SC*.Hα-helixtrans-62.3-25.4175.781.40000113.7R494 Y495 S496 G500R494-S498 PolarHBondContact O-N 2.8Å; Y495-S498 WeakPolarHBondContact O-CB 3.37Å; Y495-S498 PolarHBondContact O-N 3.25Å; Y495-S498 VanDerWaalsContact O-N 3.16Å; Y495-S498 PolarHBondContact O-OG 3.1Å; S496-S498 VanDerWaalsContact C-N 3.35Å; S498-G500 VanDerWaalsContact C-N 3.34Å
499K95.9Very high95.9Very high96 Ų9627.8 Ų27.842%0.41715%0.15SC..THydrogen-bonded Turntrans-85.8-5.4175.3-58.1-59.1-177.5179.80113.4I471 Y495 S496 K497I471-K499 HydrophobicContact CB-CB 3.89Å; I471-K499 HydrophobicContact CB-CG 4.13Å; I471-K499 HydrophobicContact CD1-CG 4.28Å; I471-K499 HydrophobicContact CG2-CB 3.99Å; Y495-K499 VanDerWaalsContact CE2-CE 3.47Å; Y495-K499 PolarHBondContact O-N 3.11Å; S496-K499 PolarHBondContact O-N 3.45Å; S496-K499 VanDerWaalsContact O-N 3.16Å; K497-K499 PolarHBondContact O-N 2.94Å
500G95.3Very high95.3Very high39 Ų3931.7 Ų31.740%0.40217%0.173SC..THydrogen-bonded Turntrans8419.617600000114.9S496 K497 S498S496-G500 PolarHBondContact O-N 3.49Å; K497-G500 PolarHBondContact O-N 2.96Å; S498-G500 VanDerWaalsContact C-N 3.34Å
501A97.3Very high94.6Very high2 Ų231.9 Ų31.92%0.01718%0.177CC..  trans-71.8154.4173.100000111.4I471 D475 S496 I503I471-A501 HydrophobicContact CG2-CB 3.66Å; D475-A501 HydrophobicContact CB-CB 4.33Å; S496-A501 PolarHBondContact O-N 3.45Å; A501-I503 HydrophobicContact CB-CD1 4.3Å
502L98Very high94.3Very high22 Ų2229.9 Ų29.912%0.11517%0.167CC..EExtended strand (participates in β ladder)trans-75.3137.9168-176.465.6000109.2F419 E422 I423 D475 V476 C477 H519F419-L502 HydrophobicContact CB-CD2 4.45Å; F419-L502 HydrophobicContact CD1-CD1 3.71Å; F419-L502 HydrophobicContact CE1-CD1 4.17Å; E422-L502 HydrophobicContact CB-CD2 4.07Å; I423-L502 HydrophobicContact CD1-CD2 4.38Å; I423-L502 HydrophobicContact CG1-CD2 3.46Å; I423-L502 VanDerWaalsContact CG1-CD2 3.46Å; D475-L502 PolarHBondContact O-N 2.65Å; D475-L502 VanDerWaalsContact O-N 3.08Å; V476-L502 HydrophobicContact CG2-CB 4.19Å; V476-L502 HydrophobicContact CG2-CD2 4.19Å; C477-L502 PolarHBondContact N-O 3.21Å; L502-H519 HydrophobicContact CD1-CB 3.86Å
503I98.2Very high93.7Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-119.7119.6-166.5-55.5-59.5000108.5C477 F479 L493 K497 A501 H519 C520C477-I503 HydrophobicContact CB-CD1 4.16Å; F479-I503 HydrophobicContact CD2-CG2 3.68Å; F479-I503 HydrophobicContact CE2-CB 4.49Å; F479-I503 HydrophobicContact CE2-CD1 3.76Å; F479-I503 HydrophobicContact CE2-CG2 3.67Å; F479-I503 HydrophobicContact CZ-CD1 4.32Å; L493-I503 HydrophobicContact CD1-CG2 3.76Å; L493-I503 HydrophobicContact CD2-CG2 4.21Å; L493-I503 HydrophobicContact CG-CG2 3.66Å; K497-I503 HydrophobicContact CB-CD1 4.31Å; K497-I503 HydrophobicContact CB-CG1 4.12Å; K497-I503 HydrophobicContact CG-CG1 4.38Å; A501-I503 HydrophobicContact CB-CD1 4.3Å; I503-H519 WeakPolarHBondContact CB-ND1 3.36Å; I503-H519 PolarHBondContact N-ND1 2.64Å; I503-H519 VanDerWaalsContact N-ND1 3.18Å; I503-H519 PolarHBondContact O-N 2.71Å; I503-H519 VanDerWaalsContact O-N 3.1Å; I503-C520 PolarHBondContact O-N 3.23Å
504V98.4Very high93.5Very high1 Ų129.9 Ų29.91%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-117.4115.1-179.7-171.10000110I416 I423 V476 C477 F478 F479 C520I416-V504 HydrophobicContact CG2-CG1 4.13Å; I423-V504 HydrophobicContact CD1-CG2 4.45Å; V476-V504 HydrophobicContact CG1-CG2 3.65Å; C477-V504 PolarHBondContact O-N 3.48Å; F478-V504 CarbonylContact C-O 3.55Å; F478-V504 VanDerWaalsContact CA-O 3.3Å; F478-V504 WeakPolarHBondContact CA-O 3.07Å; F478-V504 HydrophobicContact CD1-CB 3.81Å; F478-V504 HydrophobicContact CD1-CG1 3.8Å; F478-V504 HydrophobicContact CE1-CB 3.87Å; F478-V504 HydrophobicContact CE1-CG1 3.64Å; F478-V504 HydrophobicContact CE1-CG2 4.22Å; F478-V504 HydrophobicContact CG-CB 4.33Å; F478-V504 HydrophobicContact CZ-CB 4.4Å; F478-V504 HydrophobicContact CZ-CG1 4.47Å; F478-V504 HydrophobicContact CZ-CG2 4.3Å; F479-V504 PolarHBondContact N-O 2.91Å; V504-C520 WeakPolarHBondContact CA-O 3.48Å
505G98Very high93.3Very high2 Ų228.9 Ų28.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-89.8124.7176.600000112.3S518 C520 G521 V522G505-S518 WeakPolarHBondContact CA-OG 3.49Å; G505-S518 PolarHBondContact N-OG 3.26Å; G505-C520 PolarHBondContact N-O 3.08Å; G505-G521 CarbonylContact O-C 3.46Å; G505-G521 WeakPolarHBondContact O-CA 3.23Å; G505-V522 PolarHBondContact O-N 2.79Å
506I98.2Very high92.9Very high2 Ų230.6 Ų30.61%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-109.4101.3168.9-61.9178.9000107.9F478 F479 I480 S481 V524 Q541 T544 L545F478-I506 HydrophobicContact CD1-CD1 3.76Å; F478-I506 HydrophobicContact CD1-CG1 4.27Å; F478-I506 HydrophobicContact CE1-CD1 4.36Å; F479-I506 PolarHBondContact O-N 2.88Å; I480-I506 HydrophobicContact CD1-CD1 4.4Å; I480-I506 HydrophobicContact CG1-CB 4.3Å; I480-I506 HydrophobicContact CG1-CD1 4.32Å; I480-I506 HydrophobicContact CG2-CB 4.32Å; I480-I506 HydrophobicContact CG2-CG2 4.2Å; S481-I506 PolarHBondContact N-O 3.4Å; I506-V524 HydrophobicContact CG2-CG2 3.51Å; I506-Q541 HydrophobicContact CG2-CG 4.47Å; I506-T544 HydrophobicContact CD1-CG2 4.21Å; I506-T544 HydrophobicContact CG1-CG2 4.43Å; I506-T544 HydrophobicContact CG2-CG2 4.02Å; I506-L545 HydrophobicContact CD1-CD2 3.59Å; I506-L545 HydrophobicContact CD1-CG 4.37Å
507T96.9Very high92.6Very high2 Ų232.6 Ų32.61%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-131.7154.6-170.467.40000113.4S481 I514 V522 H523 V524S481-T507 VanDerWaalsContact O-CA 3.27Å; S481-T507 WeakPolarHBondContact O-CA 3.47Å; T507-I514 HydrophobicContact CG2-CB 4.04Å; T507-I514 HydrophobicContact CG2-CG2 3.65Å; T507-V522 PolarHBondContact N-O 3.45Å; T507-H523 CarbonylContact O-C 3.46Å; T507-H523 VanDerWaalsContact O-CA 3.29Å; T507-H523 WeakPolarHBondContact O-CA 3.42Å; T507-H523 PolarHBondContact O-ND1 3.46Å; T507-V524 PolarHBondContact O-N 2.93Å
508N94.6Very high92.6Very high10 Ų1029.2 Ų29.25%0.05317%0.173CC..SBendtrans-108.85.8176.3-164.456.5000113.3Q482 H523 V524 N525 A526 G527Q482-N508 HydrophobicContact CG-CB 4.22Å; Q482-N508 WeakPolarHBondContact O-CA 3.46Å; Q482-N508 WeakPolarHBondContact O-CB 3.08Å; Q482-N508 PolarHBondContact O-N 3.23Å; Q482-N508 VanDerWaalsContact O-N 3.15Å; N508-H523 VanDerWaalsContact C-CE1 3.49Å; N508-H523 PolarHBondContact O-CE1 3.49Å; N508-H523 VanDerWaalsContact O-CE1 3.27Å; N508-V524 HydrophobicContact CB-CB 4.36Å; N508-N525 PolarHBondContact OD1-N 2.98Å; N508-A526 PolarHBondContact OD1-N 3.28Å; N508-G527 PolarHBondContact ND2-O 3.03Å
509V88.1Confident92.6Very high58 Ų5828.8 Ų28.835%0.35216%0.161SC..SBendtrans-124.7116176.1-179.70000109.4S483 S512S483-V509 WeakPolarHBondContact O-CB 3.48Å; V509-S512 WeakPolarHBondContact O-CB 3.29Å; V509-S512 PolarHBondContact O-N 3.46Å; V509-S512 PolarHBondContact O-OG 2.89Å
510V83.5Confident92.6Very high82 Ų8224.8 Ų24.850%0.49715%0.145SC..THydrogen-bonded Turntrans-65.5137.2176.21800000109.5S512V510-S512 PolarHBondContact O-N 3.29Å
511G78.1Confident92.7Very high11 Ų1124 Ų2411%0.11314%0.137CC..THydrogen-bonded Turntrans75.47.1178.600000114.8R516G511-R516 VanDerWaalsContact O-CZ 3.31Å; G511-R516 PolarHBondContact O-NH1 3.49Å
512S85.5Confident92.7Very high2 Ų224.4 Ų24.41%0.01414%0.139CC..  trans-63.7159.7172.454.30000112.8S483 E485 V509 V510 I514 C515 R516S483-S512 WeakPolarHBondContact O-CB 3.43Å; E485-S512 VanDerWaalsContact OE1-CA 3.22Å; E485-S512 WeakPolarHBondContact OE1-CA 3.22Å; E485-S512 WeakPolarHBondContact OE1-CB 3.34Å; V509-S512 WeakPolarHBondContact O-CB 3.29Å; V509-S512 PolarHBondContact O-N 3.46Å; V509-S512 PolarHBondContact O-OG 2.89Å; V510-S512 PolarHBondContact O-N 3.29Å; S512-I514 PolarHBondContact O-N 3.26Å; S512-C515 WeakPolarHBondContact O-CA 3.4Å; S512-C515 VanDerWaalsContact O-CB 3.29Å; S512-C515 WeakPolarHBondContact O-CB 3.45Å; S512-C515 PolarHBondContact O-N 3.15Å; S512-C515 WeakPolarHBondContact OG-CB 3.42Å; S512-R516 PolarHBondContact O-N 2.59Å
513S85.3Confident92.6Very high0 Ų026.2 Ų26.20%015%0.147CC..Hα-helixtrans-56.6-46.8-177.9-55.80000112.3G484 E485 C515 R516 E517G484-S513 PolarHBondContact O-N 2.92Å; E485-S513 VanDerWaalsContact CD-OG 3.3Å; E485-S513 PolarHBondContact OE1-N 3.08Å; E485-S513 PolarHBondContact OE1-OG 2.65Å; E485-S513 VanDerWaalsContact OE2-CB 3.23Å; E485-S513 WeakPolarHBondContact OE2-CB 3.29Å; E485-S513 PolarHBondContact OE2-OG 3.34Å; S513-C515 VanDerWaalsContact C-N 3.31Å; S513-C515 PolarHBondContact O-N 2.66Å; S513-R516 PolarHBondContact O-N 3.17Å; S513-E517 WeakPolarHBondContact O-CB 3.38Å; S513-E517 WeakPolarHBondContact O-CG 3.4Å; S513-E517 PolarHBondContact O-N 3.24Å
514I93.1Very high92.5Very high0 Ų026.2 Ų26.20%015%0.147CC..Hα-helixtrans-60.5-40.6174.7-69.4172.4000111.2F479 G484 T489 L490 L493 T507 S512 R516 S518F479-I514 HydrophobicContact CB-CG2 3.92Å; G484-I514 WeakPolarHBondContact O-CB 3.47Å; G484-I514 WeakPolarHBondContact O-CG1 3.48Å; G484-I514 PolarHBondContact O-N 2.99Å; T489-I514 HydrophobicContact CG2-CD1 3.74Å; L490-I514 HydrophobicContact CB-CG1 4.32Å; L490-I514 HydrophobicContact CD1-CG1 3.96Å; L493-I514 HydrophobicContact CD1-CB 4.33Å; L493-I514 HydrophobicContact CD1-CG1 4.31Å; L493-I514 HydrophobicContact CD1-CG2 3.93Å; T507-I514 HydrophobicContact CG2-CB 4.04Å; T507-I514 HydrophobicContact CG2-CG2 3.65Å; S512-I514 PolarHBondContact O-N 3.26Å; I514-R516 VanDerWaalsContact C-N 3.34Å; I514-R516 PolarHBondContact O-N 2.82Å; I514-S518 VanDerWaalsContact O-CB 3.31Å; I514-S518 WeakPolarHBondContact O-CB 3.25Å; I514-S518 PolarHBondContact O-N 2.98Å; I514-S518 VanDerWaalsContact O-N 3.15Å; I514-S518 PolarHBondContact O-OG 3.09Å
515C91.1Very high92.3Very high55 Ų5528.9 Ų28.937%0.37216%0.161SC..Hα-helixtrans-62.9-39.3178.1-174.70000112.4S512 S513S512-C515 WeakPolarHBondContact O-CA 3.4Å; S512-C515 VanDerWaalsContact O-CB 3.29Å; S512-C515 WeakPolarHBondContact O-CB 3.45Å; S512-C515 PolarHBondContact O-N 3.15Å; S512-C515 WeakPolarHBondContact OG-CB 3.42Å; S513-C515 VanDerWaalsContact C-N 3.31Å; S513-C515 PolarHBondContact O-N 2.66Å
516R87.4Confident92.1Very high83 Ų8329 Ų2931%0.31316%0.162SC..Hα-helixtrans-79.5-37-178.7-66.9-173.6-56.8-129.712.1113.1G511 S512 S513 I514G511-R516 VanDerWaalsContact O-CZ 3.31Å; G511-R516 PolarHBondContact O-NH1 3.49Å; S512-R516 PolarHBondContact O-N 2.59Å; S513-R516 PolarHBondContact O-N 3.17Å; I514-R516 VanDerWaalsContact C-N 3.34Å; I514-R516 PolarHBondContact O-N 2.82Å
517E90.5Very high91.6Very high43 Ų4329.6 Ų29.620%0.20117%0.168CC..Hα-helixtrans-82.8-18.2-175.9-69.2-174.5-140.700113.5L493 R494 K497 S513L493-E517 HydrophobicContact CD2-CB 3.75Å; R494-E517 VanDerWaalsContact CG-OE2 3.25Å; R494-E517 WeakPolarHBondContact CG-OE2 3.35Å; R494-E517 IonicContact CZ-OE1 2.82Å; R494-E517 IonicContact CZ-OE2 3.41Å; R494-E517 IonicContact NE-OE1 2.9Å; R494-E517 PolarHBondContact NE-OE1 2.76Å; R494-E517 IonicContact NE-OE2 3.52Å; R494-E517 PolarHBondContact NE-OE2 3.24Å; R494-E517 IonicContact NH2-OE1 3.67Å; R494-E517 PolarHBondContact NH2-OE1 3.27Å; R494-E517 IonicContact NH2-OE2 3.32Å; K497-E517 PolarHBondContact NZ-O 2.98Å; S513-E517 WeakPolarHBondContact O-CB 3.38Å; S513-E517 WeakPolarHBondContact O-CG 3.4Å; S513-E517 PolarHBondContact O-N 3.24Å
518S95.1Very high91.2Very high15 Ų1530.7 Ų30.711%0.10518%0.176CC..SBendtrans-70.1149.5173.9-610000112.2G505 I514 C520G505-S518 WeakPolarHBondContact CA-OG 3.49Å; G505-S518 PolarHBondContact N-OG 3.26Å; I514-S518 VanDerWaalsContact O-CB 3.31Å; I514-S518 WeakPolarHBondContact O-CB 3.25Å; I514-S518 PolarHBondContact O-N 2.98Å; I514-S518 VanDerWaalsContact O-N 3.15Å; I514-S518 PolarHBondContact O-OG 3.09Å; S518-C520 WeakPolarHBondContact CB-O 3.31Å
519H96.4Very high91Very high80 Ų8030.4 Ų30.437%0.3717%0.174SC..SBendtrans-70.4-39.6175-61.4117.7000111.2F419 L502 I503F419-H519 HydrophobicContact CE1-CB 3.97Å; F419-H519 WeakPolarHBondContact CE2-O 3.32Å; F419-H519 HydrophobicContact CZ-CB 4.2Å; F419-H519 WeakPolarHBondContact CZ-O 3.33Å; L502-H519 HydrophobicContact CD1-CB 3.86Å; I503-H519 WeakPolarHBondContact CB-ND1 3.36Å; I503-H519 PolarHBondContact N-ND1 2.64Å; I503-H519 VanDerWaalsContact N-ND1 3.18Å; I503-H519 PolarHBondContact O-N 2.71Å; I503-H519 VanDerWaalsContact O-N 3.1Å
520C96.7Very high90.9Very high12 Ų1228.3 Ų28.38%0.08116%0.161CC..EExtended strand (participates in β ladder)trans-148173.2176.867.50000110G415 I416 F419 I503 V504 G505 S518G415-C520 VanDerWaalsContact O-CB 3.31Å; G415-C520 WeakPolarHBondContact O-CB 3.45Å; I416-C520 HydrophobicContact CG2-CB 4.41Å; F419-C520 HydrophobicContact CB-CB 4.3Å; F419-C520 HydrophobicContact CD2-CB 3.36Å; F419-C520 HydrophobicContact CE2-CB 3.72Å; F419-C520 HydrophobicContact CG-CB 3.84Å; F419-C520 HydrophobicContact CZ-CB 4.47Å; I503-C520 PolarHBondContact O-N 3.23Å; V504-C520 WeakPolarHBondContact CA-O 3.48Å; G505-C520 PolarHBondContact N-O 3.08Å; S518-C520 WeakPolarHBondContact CB-O 3.31Å
521G96.1Very high91.1Very high21 Ų2124.4 Ų24.422%0.21614%0.137CC..EExtended strand (participates in β ladder)trans-177.8173.7-176.900000115.3G415 G505G415-G521 CarbonylContact C-O 3.58Å; G415-G521 VanDerWaalsContact C-O 3.26Å; G415-G521 VanDerWaalsContact CA-O 3.25Å; G415-G521 WeakPolarHBondContact CA-O 3.43Å; G415-G521 PolarHBondContact O-N 2.86Å; G415-G521 VanDerWaalsContact O-N 3.14Å; G505-G521 CarbonylContact O-C 3.46Å; G505-G521 WeakPolarHBondContact O-CA 3.23Å
522V97.1Very high91.6Very high12 Ų1224.4 Ų24.47%0.07314%0.135CC..EExtended strand (participates in β ladder)trans-128.1115.8177.6-172.20000108.9L413 I416 G505 T507 V524 T544L413-V522 HydrophobicContact CB-CG2 4.48Å; L413-V522 HydrophobicContact CD1-CG2 4.24Å; L413-V522 HydrophobicContact CD2-CG1 4.28Å; I416-V522 HydrophobicContact CG2-CG2 3.98Å; G505-V522 PolarHBondContact O-N 2.79Å; T507-V522 PolarHBondContact N-O 3.45Å; V522-V524 PolarHBondContact O-N 2.75Å; V522-T544 HydrophobicContact CB-CG2 3.83Å; V522-T544 HydrophobicContact CG1-CG2 3.59Å; V522-T544 HydrophobicContact CG2-CG2 4.35Å
523H95.9Very high91.9Very high59 Ų5924.4 Ų24.427%0.27314%0.135SC..EExtended strand (participates in β ladder)trans-72.1116167.5177.856.8000109.1R403 T507 N508 N525R403-H523 VanDerWaalsContact CZ-O 3.27Å; R403-H523 PolarHBondContact NH1-O 2.95Å; R403-H523 PolarHBondContact NH2-O 3.32Å; T507-H523 CarbonylContact O-C 3.46Å; T507-H523 VanDerWaalsContact O-CA 3.29Å; T507-H523 WeakPolarHBondContact O-CA 3.42Å; T507-H523 PolarHBondContact O-ND1 3.46Å; N508-H523 VanDerWaalsContact C-CE1 3.49Å; N508-H523 PolarHBondContact O-CE1 3.49Å; N508-H523 VanDerWaalsContact O-CE1 3.27Å; H523-N525 VanDerWaalsContact C-N 3.26Å; H523-N525 PolarHBondContact O-N 3.17Å
524V96.1Very high92.4Very high0 Ų024.9 Ų24.90%014%0.138CC..  trans-60.1-37.5-174.2175.40000111.8T399 R403 I506 T507 N508 V522 A526 Q541T399-V524 WeakPolarHBondContact CA-O 3.39Å; T399-V524 HydrophobicContact CG2-CG1 4.48Å; T399-V524 WeakPolarHBondContact CG2-O 3.42Å; T399-V524 PolarHBondContact OG1-O 3.27Å; R403-V524 PolarHBondContact NH1-O 2.66Å; I506-V524 HydrophobicContact CG2-CG2 3.51Å; T507-V524 PolarHBondContact O-N 2.93Å; N508-V524 HydrophobicContact CB-CB 4.36Å; V522-V524 PolarHBondContact O-N 2.75Å; V524-A526 HydrophobicContact CG1-CB 4.31Å; V524-Q541 HydrophobicContact CG2-CG 4.21Å
525N93.8Very high92.7Very high57 Ų5724.9 Ų24.931%0.30514%0.138SC..  trans65.139.9178.5-163.239.1000114N398 N508 H523 G527N398-N525 WeakPolarHBondContact CB-O 3.37Å; N398-N525 PolarHBondContact O-ND2 3.37Å; N508-N525 PolarHBondContact OD1-N 2.98Å; H523-N525 VanDerWaalsContact C-N 3.26Å; H523-N525 PolarHBondContact O-N 3.17Å; N525-G527 PolarHBondContact O-N 2.84Å
526A93.8Very high92.9Very high5 Ų522.5 Ų22.54%0.04112%0.122CC..  trans-80.6-3.5172.300000113N508 V524 K536N508-A526 PolarHBondContact OD1-N 3.28Å; V524-A526 HydrophobicContact CG1-CB 4.31Å; A526-K536 HydrophobicContact CB-CG 4.35Å; A526-K536 WeakPolarHBondContact O-CD 3.4Å; A526-K536 WeakPolarHBondContact O-CE 3.38Å
527G89.7Confident93.4Very high14 Ų1418.6 Ų18.614%0.14411%0.107CC..  trans73.9173.6-167.700000112.6N508 N525N508-G527 PolarHBondContact ND2-O 3.03Å; N525-G527 PolarHBondContact O-N 2.84Å
528P87.9Confident93.8Very high25 Ų2516.5 Ų16.516%0.16210%0.097CC..  trans-56.1139.3177.7-23.933.3000112.3M371 Q375 L376 I530 K536M371-P528 HydrophobicContact CG-CG 3.85Å; M371-P528 HydrophobicContact SD-CB 4.36Å; M371-P528 HydrophobicContact SD-CG 3.43Å; M371-P528 WeakPolarHBondContact SD-CG 3.14Å; Q375-P528 HydrophobicContact CB-CG 4.14Å; L376-P528 HydrophobicContact CD2-CB 3.73Å; L376-P528 HydrophobicContact CD2-CG 4.02Å; P528-I530 HydrophobicContact CB-CD1 4.49Å; P528-K536 WeakPolarHBondContact O-CE 3.35Å; P528-K536 PolarHBondContact O-NZ 2.75Å
529E89.6Confident93.9Very high5 Ų515.8 Ų15.82%0.0239%0.092CC..  trans-121109.3175.3-165.1179.3-114.300108.2S534 T535 K536 A537 K737E529-S534 PolarHBondContact OE1-OG 3.38Å; E529-S534 WeakPolarHBondContact OE2-CA 3.41Å; E529-S534 WeakPolarHBondContact OE2-CB 3.33Å; E529-S534 PolarHBondContact OE2-OG 3.25Å; E529-T535 PolarHBondContact OE1-N 2.93Å; E529-K536 HydrophobicContact CG-CG 4.41Å; E529-K536 PolarHBondContact OE1-N 2.93Å; E529-A537 PolarHBondContact OE1-N 3.34Å; E529-K737 WeakPolarHBondContact O-CE 3.45Å; E529-K737 IonicContact OE2-NZ 3.71Å; E529-K737 PolarHBondContact OE2-NZ 3.11Å
530I87.2Confident94Very high13 Ų1312 Ų127%0.0678%0.075CC..  trans-96.2-36.3-173.5-54-58.5000110.9Y35 L376 F384 E388 P528 V532Y35-I530 HydrophobicContact CD1-CD1 4.32Å; Y35-I530 HydrophobicContact CD1-CG2 4.12Å; Y35-I530 HydrophobicContact CD2-CG2 4.44Å; Y35-I530 HydrophobicContact CE1-CD1 4.13Å; Y35-I530 HydrophobicContact CG-CG2 3.86Å; L376-I530 HydrophobicContact CD2-CD1 3.69Å; L376-I530 HydrophobicContact CD2-CG1 4.4Å; F384-I530 HydrophobicContact CB-CB 4.19Å; F384-I530 HydrophobicContact CB-CG2 4.41Å; F384-I530 HydrophobicContact CD1-CB 3.78Å; F384-I530 HydrophobicContact CD1-CG1 4.1Å; F384-I530 HydrophobicContact CD1-CG2 4Å; F384-I530 HydrophobicContact CD2-CB 4.26Å; F384-I530 HydrophobicContact CD2-CG2 3.65Å; F384-I530 HydrophobicContact CE1-CB 4.17Å; F384-I530 HydrophobicContact CE1-CG1 4.13Å; F384-I530 HydrophobicContact CE1-CG2 4.12Å; F384-I530 HydrophobicContact CE2-CG2 3.78Å; F384-I530 HydrophobicContact CG-CB 3.83Å; F384-I530 HydrophobicContact CG-CG2 3.76Å; F384-I530 HydrophobicContact CZ-CG2 4.01Å; E388-I530 WeakPolarHBondContact OE1-CA 3.11Å; E388-I530 PolarHBondContact OE1-N 3.35Å; P528-I530 HydrophobicContact CB-CD1 4.49Å; I530-V532 PolarHBondContact O-N 3.4Å
531G87.4Confident94.1Very high0 Ų011.4 Ų11.40%07%0.071CC..SBendtrans-59.3129.3174.900000110.7E388 A533 K737E388-G531 PolarHBondContact OE1-N 3.09Å; E388-G531 WeakPolarHBondContact OE2-CA 3.12Å; E388-G531 PolarHBondContact OE2-N 3.29Å; G531-A533 PolarHBondContact O-N 3.31Å; G531-K737 WeakPolarHBondContact O-CD 3.24Å; G531-K737 VanDerWaalsContact O-CE 3.26Å; G531-K737 WeakPolarHBondContact O-CE 3.29Å; G531-K737 PolarHBondContact O-NZ 3.13Å
532V87.4Confident94.2Very high12 Ų1210.5 Ų10.57%0.0736%0.061CC..SBendtrans-56.7-48.4-176168.30000111.5Y38 I530 S534 D730 P732 L735 K737Y38-V532 HydrophobicContact CE1-CG2 4.18Å; I530-V532 PolarHBondContact O-N 3.4Å; V532-S534 PolarHBondContact O-N 3.11Å; V532-D730 VanDerWaalsContact CG2-O 3.29Å; V532-D730 WeakPolarHBondContact CG2-O 3.27Å; V532-D730 PolarHBondContact N-O 2.82Å; V532-P732 HydrophobicContact CB-CG 3.95Å; V532-P732 HydrophobicContact CG1-CG 3.67Å; V532-L735 HydrophobicContact CG1-CB 4.18Å; V532-K737 HydrophobicContact CG2-CB 4.46Å; V532-K737 WeakPolarHBondContact O-CD 3.15Å; V532-K737 PolarHBondContact O-NZ 3.37Å; V532-K737 VanDerWaalsContact O-NZ 3.17Å
533A92.7Very high94.3Very high1 Ų19.9 Ų9.91%0.0086%0.057CC..SBendtrans-71.6122174.200000110.4M385 G531 K618 E621 L622M385-A533 HydrophobicContact SD-CB 4.33Å; G531-A533 PolarHBondContact O-N 3.31Å; A533-K618 HydrophobicContact CB-CD 4.06Å; A533-E621 WeakPolarHBondContact CB-OE2 3.22Å; A533-L622 HydrophobicContact CB-CD1 4.13Å; A533-L622 HydrophobicContact CB-CD2 3.89Å; A533-L622 HydrophobicContact CB-CG 4.18Å
534S96Very high94.4Very high11 Ų117.1 Ų7.18%0.0774%0.044CC..  trans-68.8140.6179.6-167.30000112.4E529 V532 A537E529-S534 PolarHBondContact OE1-OG 3.38Å; E529-S534 WeakPolarHBondContact OE2-CA 3.41Å; E529-S534 WeakPolarHBondContact OE2-CB 3.33Å; E529-S534 PolarHBondContact OE2-OG 3.25Å; V532-S534 PolarHBondContact O-N 3.11Å; S534-A537 WeakPolarHBondContact OG-CB 3.5Å
535T97.9Very high94.5Very high0 Ų07.1 Ų7.10%04%0.044CC..SBendtrans-135.9-79.6-178.754.50000110.4M385 E388 I389 E529 A537 Y538 T539M385-T535 HydrophobicContact CE-CG2 3.94Å; M385-T535 HydrophobicContact CG-CG2 4.27Å; E388-T535 WeakPolarHBondContact CB-OG1 3.43Å; I389-T535 HydrophobicContact CD1-CG2 4.4Å; I389-T535 HydrophobicContact CG1-CG2 3.76Å; E529-T535 PolarHBondContact OE1-N 2.93Å; T535-A537 VanDerWaalsContact C-N 3.27Å; T535-A537 PolarHBondContact O-N 3.15Å; T535-Y538 VanDerWaalsContact O-CB 3.3Å; T535-Y538 WeakPolarHBondContact O-CB 3.48Å; T535-Y538 PolarHBondContact O-N 3.26Å; T535-T539 PolarHBondContact O-N 3.13Å
536K97.2Very high94.7Very high5 Ų54.4 Ų4.42%0.0223%0.03CC..Hα-helixtrans-62.9-30.4179.161.8-177.3-179.1-178.60113.6E388 E391 Q392 A526 P528 E529 Y538 T539 S540E388-K536 HydrophobicContact CB-CD 4.18Å; E388-K536 HydrophobicContact CB-CG 4.37Å; E388-K536 HydrophobicContact CG-CD 4.29Å; E391-K536 IonicContact OE2-NZ 3.76Å; E391-K536 PolarHBondContact OE2-NZ 3.12Å; Q392-K536 HydrophobicContact CG-CB 3.87Å; A526-K536 HydrophobicContact CB-CG 4.35Å; A526-K536 WeakPolarHBondContact O-CD 3.4Å; A526-K536 WeakPolarHBondContact O-CE 3.38Å; P528-K536 WeakPolarHBondContact O-CE 3.35Å; P528-K536 PolarHBondContact O-NZ 2.75Å; E529-K536 HydrophobicContact CG-CG 4.41Å; E529-K536 PolarHBondContact OE1-N 2.93Å; K536-Y538 VanDerWaalsContact C-N 3.33Å; K536-Y538 PolarHBondContact O-N 3.45Å; K536-T539 PolarHBondContact O-OG1 3.2Å; K536-S540 VanDerWaalsContact O-CB 3.32Å; K536-S540 WeakPolarHBondContact O-CB 3.45Å; K536-S540 PolarHBondContact O-N 2.96Å; K536-S540 PolarHBondContact O-OG 3.06Å
537A97Very high94.9Very high0 Ų04.1 Ų4.10%03%0.028CC..Hα-helixtrans-67.8-32.8174.300000112.2Q482 E529 S534 T535 Q541Q482-A537 HydrophobicContact CB-CB 4.06Å; Q482-A537 HydrophobicContact CG-CB 3.51Å; E529-A537 PolarHBondContact OE1-N 3.34Å; S534-A537 WeakPolarHBondContact OG-CB 3.5Å; T535-A537 VanDerWaalsContact C-N 3.27Å; T535-A537 PolarHBondContact O-N 3.15Å; A537-Q541 VanDerWaalsContact O-CB 3.23Å; A537-Q541 WeakPolarHBondContact O-CB 3.24Å; A537-Q541 WeakPolarHBondContact O-CG 3.49Å; A537-Q541 PolarHBondContact O-N 2.68Å
538Y98.4Very high95.3Very high0 Ų03.7 Ų3.70%02%0.022CC..Hα-helixtrans-62.4-52.5174.5171.1-100.6000111.7T436 H439 T535 K536 S540 Q541 I542 E614 I711T436-Y538 HydrophobicContact CG2-CD2 3.63Å; T436-Y538 HydrophobicContact CG2-CG 3.96Å; H439-Y538 HydrophobicContact CB-CE2 3.89Å; T535-Y538 VanDerWaalsContact O-CB 3.3Å; T535-Y538 WeakPolarHBondContact O-CB 3.48Å; T535-Y538 PolarHBondContact O-N 3.26Å; K536-Y538 VanDerWaalsContact C-N 3.33Å; K536-Y538 PolarHBondContact O-N 3.45Å; Y538-S540 VanDerWaalsContact C-N 3.35Å; Y538-S540 PolarHBondContact O-N 2.81Å; Y538-Q541 PolarHBondContact O-N 2.99Å; Y538-I542 HydrophobicContact CD1-CD1 4Å; Y538-I542 HydrophobicContact CD2-CD1 4.34Å; Y538-I542 HydrophobicContact CE1-CD1 3.43Å; Y538-I542 VanDerWaalsContact CE1-CD1 3.43Å; Y538-I542 HydrophobicContact CE2-CD1 3.84Å; Y538-I542 HydrophobicContact CG-CD1 4.43Å; Y538-I542 WeakPolarHBondContact O-CG1 3.47Å; Y538-I542 PolarHBondContact O-N 3.29Å; Y538-I542 VanDerWaalsContact O-N 3.11Å; Y538-E614 HydrophobicContact CD1-CG 4.47Å; Y538-E614 HydrophobicContact CD2-CG 4.23Å; Y538-E614 HydrophobicContact CE1-CG 4.3Å; Y538-E614 HydrophobicContact CE2-CB 4.14Å; Y538-E614 HydrophobicContact CE2-CG 4.02Å; Y538-E614 HydrophobicContact CG-CG 4.43Å; Y538-I711 HydrophobicContact CD1-CG1 4.22Å; Y538-I711 HydrophobicContact CD1-CG2 4.44Å; Y538-I711 HydrophobicContact CE1-CB 4.16Å; Y538-I711 HydrophobicContact CE1-CD1 4.47Å; Y538-I711 HydrophobicContact CE1-CG1 3.76Å; Y538-I711 HydrophobicContact CE1-CG2 4.09Å
539T98.5Very high95.8Very high0 Ų02.5 Ų2.50%01%0.014CC..Hα-helixtrans-63.2-42-179.647.20000111.8Q392 T535 K536 I542 L543 L708 I711Q392-T539 PolarHBondContact OE1-OG1 2.96Å; T535-T539 PolarHBondContact O-N 3.13Å; K536-T539 PolarHBondContact O-OG1 3.2Å; T539-I542 PolarHBondContact O-N 3.29Å; T539-L543 WeakPolarHBondContact O-CB 3.14Å; T539-L543 PolarHBondContact O-N 3.31Å; T539-L708 HydrophobicContact CG2-CD2 4.08Å; T539-L708 WeakPolarHBondContact O-CD2 3.4Å; T539-I711 HydrophobicContact CG2-CG2 4.07Å
540S98.3Very high96.2Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-71.9-28.7179-64.90000113.1T399 K536 Y538 T544T399-S540 WeakPolarHBondContact OG1-CB 3.49Å; T399-S540 PolarHBondContact OG1-OG 2.87Å; K536-S540 VanDerWaalsContact O-CB 3.32Å; K536-S540 WeakPolarHBondContact O-CB 3.45Å; K536-S540 PolarHBondContact O-N 2.96Å; K536-S540 PolarHBondContact O-OG 3.06Å; Y538-S540 VanDerWaalsContact C-N 3.35Å; Y538-S540 PolarHBondContact O-N 2.81Å; S540-T544 WeakPolarHBondContact O-CB 3.11Å; S540-T544 PolarHBondContact O-N 2.93Å; S540-T544 PolarHBondContact O-OG1 3Å
541Q98.5Very high96.7Very high0 Ų01.8 Ų1.80%01%0.011CC..Hα-helixtrans-65.8-47.5171.6-79.5167.23.100111.5S437 S440 I480 I506 V524 A537 Y538 L543 T544 L545S437-Q541 PolarHBondContact OG-NE2 3.39Å; S437-Q541 PolarHBondContact OG-OE1 2.82Å; S440-Q541 PolarHBondContact OG-OE1 2.98Å; I480-Q541 HydrophobicContact CG2-CB 4.25Å; I480-Q541 HydrophobicContact CG2-CG 3.75Å; I506-Q541 HydrophobicContact CG2-CG 4.47Å; V524-Q541 HydrophobicContact CG2-CG 4.21Å; A537-Q541 VanDerWaalsContact O-CB 3.23Å; A537-Q541 WeakPolarHBondContact O-CB 3.24Å; A537-Q541 WeakPolarHBondContact O-CG 3.49Å; A537-Q541 PolarHBondContact O-N 2.68Å; Y538-Q541 PolarHBondContact O-N 2.99Å; Q541-L543 VanDerWaalsContact C-N 3.31Å; Q541-L543 PolarHBondContact O-N 3.15Å; Q541-T544 WeakPolarHBondContact O-CB 3.32Å; Q541-T544 PolarHBondContact O-N 3.14Å; Q541-T544 VanDerWaalsContact O-N 3.15Å; Q541-L545 PolarHBondContact O-N 2.84Å
542I98.5Very high97.1Very high1 Ų12.9 Ų2.91%0.0052%0.016CC..Hα-helixtrans-57.2-48.2175.1-66.8170.7000110.2A443 Y538 T539 T544 L545 V546 L708A443-I542 HydrophobicContact CB-CD1 3.47Å; A443-I542 VanDerWaalsContact CB-CD1 3.47Å; A443-I542 HydrophobicContact CB-CG1 3.71Å; Y538-I542 HydrophobicContact CD1-CD1 4Å; Y538-I542 HydrophobicContact CD2-CD1 4.34Å; Y538-I542 HydrophobicContact CE1-CD1 3.43Å; Y538-I542 VanDerWaalsContact CE1-CD1 3.43Å; Y538-I542 HydrophobicContact CE2-CD1 3.84Å; Y538-I542 HydrophobicContact CG-CD1 4.43Å; Y538-I542 WeakPolarHBondContact O-CG1 3.47Å; Y538-I542 PolarHBondContact O-N 3.29Å; Y538-I542 VanDerWaalsContact O-N 3.11Å; T539-I542 PolarHBondContact O-N 3.29Å; I542-T544 VanDerWaalsContact C-N 3.25Å; I542-T544 PolarHBondContact O-N 3.23Å; I542-L545 WeakPolarHBondContact O-CB 3.13Å; I542-L545 PolarHBondContact O-N 2.94Å; I542-L545 VanDerWaalsContact O-N 3.07Å; I542-V546 HydrophobicContact CG2-CG2 4.48Å; I542-V546 WeakPolarHBondContact O-CG2 3.47Å; I542-V546 PolarHBondContact O-N 2.83Å; I542-L708 HydrophobicContact CB-CD2 3.77Å; I542-L708 HydrophobicContact CD1-CD2 4.09Å; I542-L708 HydrophobicContact CG2-CD2 3.75Å; I542-L708 HydrophobicContact CG2-CG 4.2Å
543L98.2Very high97.6Very high0 Ų02.4 Ų2.40%01%0.013CC..Hα-helixtrans-60.7-36.4179.1-178.755.5000112.5I396 T399 M400 T539 Q541 V546 M547 L570I396-L543 HydrophobicContact CB-CD2 4.22Å; I396-L543 HydrophobicContact CG1-CD2 4.24Å; I396-L543 HydrophobicContact CG2-CD2 3.73Å; T399-L543 HydrophobicContact CG2-CB 4.33Å; T399-L543 HydrophobicContact CG2-CD2 3.94Å; T399-L543 HydrophobicContact CG2-CG 4.1Å; M400-L543 HydrophobicContact CG-CD1 4.37Å; M400-L543 HydrophobicContact CG-CD2 3.75Å; M400-L543 HydrophobicContact CG-CG 4.3Å; M400-L543 HydrophobicContact SD-CD1 4.34Å; M400-L543 HydrophobicContact SD-CD2 4.18Å; T539-L543 WeakPolarHBondContact O-CB 3.14Å; T539-L543 PolarHBondContact O-N 3.31Å; Q541-L543 VanDerWaalsContact C-N 3.31Å; Q541-L543 PolarHBondContact O-N 3.15Å; L543-V546 PolarHBondContact O-N 3.03Å; L543-M547 HydrophobicContact CG-CE 4.41Å; L543-M547 WeakPolarHBondContact O-CG 2.97Å; L543-M547 PolarHBondContact O-N 2.91Å; L543-L570 HydrophobicContact CD1-CD1 4.4Å; L543-L570 HydrophobicContact CD1-CD2 3.25Å; L543-L570 HydrophobicContact CD1-CG 4.44Å
544T98.3Very high97.6Very high0 Ų05.1 Ų5.10%03%0.026CC..Hα-helixtrans-64.1-41.5174.2-60.70000111.8I506 V522 S540 Q541 I542 M547 F548I506-T544 HydrophobicContact CD1-CG2 4.21Å; I506-T544 HydrophobicContact CG1-CG2 4.43Å; I506-T544 HydrophobicContact CG2-CG2 4.02Å; V522-T544 HydrophobicContact CB-CG2 3.83Å; V522-T544 HydrophobicContact CG1-CG2 3.59Å; V522-T544 HydrophobicContact CG2-CG2 4.35Å; S540-T544 WeakPolarHBondContact O-CB 3.11Å; S540-T544 PolarHBondContact O-N 2.93Å; S540-T544 PolarHBondContact O-OG1 3Å; Q541-T544 WeakPolarHBondContact O-CB 3.32Å; Q541-T544 PolarHBondContact O-N 3.14Å; Q541-T544 VanDerWaalsContact O-N 3.15Å; I542-T544 VanDerWaalsContact C-N 3.25Å; I542-T544 PolarHBondContact O-N 3.23Å; T544-M547 PolarHBondContact O-N 2.86Å; T544-F548 WeakPolarHBondContact O-CB 2.73Å; T544-F548 PolarHBondContact O-N 3.5Å
545L98.5Very high97.5Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-65-38.7174.8-66172.4000112.1M431 S440 V448 I480 I506 Q541 I542 F548 A549M431-L545 HydrophobicContact CE-CD2 4.07Å; M431-L545 HydrophobicContact SD-CD1 4.36Å; M431-L545 HydrophobicContact SD-CD2 4.23Å; S440-L545 WeakPolarHBondContact O-CD1 3.32Å; V448-L545 HydrophobicContact CG2-CB 4.39Å; I480-L545 HydrophobicContact CD1-CD1 3.93Å; I480-L545 HydrophobicContact CD1-CD2 4.03Å; I480-L545 HydrophobicContact CD1-CG 4.36Å; I506-L545 HydrophobicContact CD1-CD2 3.59Å; I506-L545 HydrophobicContact CD1-CG 4.37Å; Q541-L545 PolarHBondContact O-N 2.84Å; I542-L545 WeakPolarHBondContact O-CB 3.13Å; I542-L545 PolarHBondContact O-N 2.94Å; I542-L545 VanDerWaalsContact O-N 3.07Å; L545-F548 WeakPolarHBondContact O-CB 3.21Å; L545-F548 PolarHBondContact O-N 2.95Å; L545-A549 WeakPolarHBondContact O-CB 3.35Å; L545-A549 PolarHBondContact O-N 2.73Å
546V98.5Very high97.2Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-62.6-47.5173.5174.50000110.9I447 I542 L543 F548 A549 L550 I566 L705I447-V546 HydrophobicContact CG2-CG2 4.12Å; I542-V546 HydrophobicContact CG2-CG2 4.48Å; I542-V546 WeakPolarHBondContact O-CG2 3.47Å; I542-V546 PolarHBondContact O-N 2.83Å; L543-V546 PolarHBondContact O-N 3.03Å; V546-F548 VanDerWaalsContact C-N 3.29Å; V546-F548 PolarHBondContact O-N 2.96Å; V546-A549 WeakPolarHBondContact O-CB 3.31Å; V546-A549 PolarHBondContact O-N 2.85Å; V546-L550 HydrophobicContact CG1-CD1 4.18Å; V546-L550 WeakPolarHBondContact O-CG 3.16Å; V546-L550 PolarHBondContact O-N 2.61Å; V546-I566 HydrophobicContact CG1-CG2 3.8Å; V546-L705 HydrophobicContact CG1-CD2 4.07Å; V546-L705 HydrophobicContact CG2-CD2 4.04Å
547M98.2Very high97.1Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-61-39.1176.4-72.8-173.5-64.200111.9T399 M400 R403 V404 V411 L413 L543 T544 L550 V551T399-M547 HydrophobicContact CG2-CE 3.83Å; T399-M547 WeakPolarHBondContact O-CE 3.35Å; M400-M547 HydrophobicContact CG-SD 4.32Å; R403-M547 HydrophobicContact CB-SD 4.05Å; V404-M547 HydrophobicContact CG2-CG 4.23Å; V404-M547 HydrophobicContact CG2-SD 3.73Å; V411-M547 HydrophobicContact CG1-CB 3.9Å; V411-M547 HydrophobicContact CG1-CG 4.12Å; L413-M547 HydrophobicContact CD1-CB 4.3Å; L413-M547 HydrophobicContact CD2-CB 4.15Å; L413-M547 HydrophobicContact CD2-CE 4.32Å; L413-M547 HydrophobicContact CD2-SD 4.44Å; L543-M547 HydrophobicContact CG-CE 4.41Å; L543-M547 WeakPolarHBondContact O-CG 2.97Å; L543-M547 PolarHBondContact O-N 2.91Å; T544-M547 PolarHBondContact O-N 2.86Å; M547-L550 PolarHBondContact O-N 2.78Å; M547-V551 WeakPolarHBondContact O-CG2 3.43Å; M547-V551 PolarHBondContact O-N 2.64Å
548F98.2Very high97.1Very high4 Ų423.2 Ų23.22%0.01813%0.131CC..Hα-helixtrans-59.2-48.1173.3169.5-98.5000111.4L413 I416 I423 L429 V448 T452 F478 T544 L545 V546 L550 V551 M552L413-F548 HydrophobicContact CD1-CB 4.07Å; I416-F548 HydrophobicContact CD1-CD2 3.8Å; I416-F548 HydrophobicContact CD1-CE2 4.22Å; I423-F548 HydrophobicContact CG2-CE2 4.02Å; I423-F548 HydrophobicContact CG2-CZ 3.91Å; L429-F548 HydrophobicContact CD1-CE1 3.97Å; L429-F548 HydrophobicContact CD1-CZ 4.42Å; V448-F548 HydrophobicContact CG1-CD1 4.46Å; V448-F548 HydrophobicContact CG1-CE1 4.23Å; T452-F548 HydrophobicContact CG2-CE1 4.29Å; F478-F548 HydrophobicContact CE1-CD1 4.38Å; F478-F548 HydrophobicContact CE1-CD2 4.16Å; F478-F548 HydrophobicContact CE1-CE1 4.38Å; F478-F548 HydrophobicContact CE1-CE2 4.16Å; F478-F548 HydrophobicContact CE1-CG 4.29Å; F478-F548 HydrophobicContact CE1-CZ 4.28Å; F478-F548 HydrophobicContact CE2-CE1 4.23Å; F478-F548 HydrophobicContact CE2-CZ 4.16Å; F478-F548 HydrophobicContact CZ-CD1 4.05Å; F478-F548 HydrophobicContact CZ-CD2 4.05Å; F478-F548 AromaticContact CZ-CE1 3.61Å; F478-F548 HydrophobicContact CZ-CE1 3.61Å; F478-F548 AromaticContact CZ-CE2 3.62Å; F478-F548 HydrophobicContact CZ-CE2 3.62Å; F478-F548 HydrophobicContact CZ-CG 4.27Å; F478-F548 AromaticContact CZ-CZ 3.39Å; F478-F548 HydrophobicContact CZ-CZ 3.39Å; T544-F548 WeakPolarHBondContact O-CB 2.73Å; T544-F548 PolarHBondContact O-N 3.5Å; L545-F548 WeakPolarHBondContact O-CB 3.21Å; L545-F548 PolarHBondContact O-N 2.95Å; V546-F548 VanDerWaalsContact C-N 3.29Å; V546-F548 PolarHBondContact O-N 2.96Å; F548-L550 VanDerWaalsContact C-N 3.29Å; F548-L550 PolarHBondContact O-N 3.49Å; F548-V551 PolarHBondContact O-N 2.85Å; F548-V551 VanDerWaalsContact O-N 3.13Å; F548-M552 HydrophobicContact CD1-CG 4.39Å; F548-M552 HydrophobicContact CD2-CG 4.33Å; F548-M552 HydrophobicContact CE1-CG 3.81Å; F548-M552 HydrophobicContact CE2-CG 3.75Å; F548-M552 HydrophobicContact CE2-SD 3.94Å; F548-M552 HydrophobicContact CZ-CG 3.43Å; F548-M552 VanDerWaalsContact CZ-CG 3.43Å; F548-M552 HydrophobicContact CZ-SD 3.86Å; F548-M552 WeakPolarHBondContact O-CG 3.39Å; F548-M552 PolarHBondContact O-N 3Å
549A98Very high96.9Very high0 Ų024.8 Ų24.80%014%0.138CC..Hα-helixtrans-60-37.6177.200000112.6V448 L451 L545 V546 M552 S553V448-A549 HydrophobicContact CG2-CB 4.11Å; L451-A549 HydrophobicContact CB-CB 4.02Å; L451-A549 HydrophobicContact CD1-CB 3.77Å; L451-A549 HydrophobicContact CG-CB 4.38Å; L545-A549 WeakPolarHBondContact O-CB 3.35Å; L545-A549 PolarHBondContact O-N 2.73Å; V546-A549 WeakPolarHBondContact O-CB 3.31Å; V546-A549 PolarHBondContact O-N 2.85Å; A549-M552 PolarHBondContact O-N 3.12Å; A549-S553 PolarHBondContact O-N 3.18Å; A549-S553 VanDerWaalsContact O-N 3.13Å; A549-S553 PolarHBondContact O-OG 3.48Å
550L98Very high96.8Very high0 Ų027.4 Ų27.40%015%0.15CC..Hα-helixtrans-67.3-34.1175.1-70.2170.9000113.5V411 L451 V546 M547 F548 S553 R563 I566 I567 L570V411-L550 HydrophobicContact CB-CB 4.34Å; V411-L550 HydrophobicContact CG2-CB 4.04Å; V411-L550 HydrophobicContact CG2-CD1 3.96Å; L451-L550 HydrophobicContact CD1-CD2 4.07Å; L451-L550 HydrophobicContact CD1-CG 4.46Å; V546-L550 HydrophobicContact CG1-CD1 4.18Å; V546-L550 WeakPolarHBondContact O-CG 3.16Å; V546-L550 PolarHBondContact O-N 2.61Å; M547-L550 PolarHBondContact O-N 2.78Å; F548-L550 VanDerWaalsContact C-N 3.29Å; F548-L550 PolarHBondContact O-N 3.49Å; L550-S553 PolarHBondContact O-OG 3.24Å; L550-R563 HydrophobicContact CD2-CB 4.02Å; L550-R563 HydrophobicContact CD2-CG 4.01Å; L550-R563 PolarHBondContact O-NE 2.88Å; L550-R563 PolarHBondContact O-NH2 3.17Å; L550-I566 HydrophobicContact CD1-CG2 3.94Å; L550-I566 HydrophobicContact CD2-CB 4.14Å; L550-I566 HydrophobicContact CD2-CD1 4.22Å; L550-I566 HydrophobicContact CD2-CG2 4.14Å; L550-I566 HydrophobicContact CG-CG2 4.4Å; L550-I567 HydrophobicContact CD1-CG1 3.85Å; L550-I567 HydrophobicContact CD2-CG1 4.33Å; L550-L570 HydrophobicContact CD1-CD1 3.99Å
551V97.2Very high96.7Very high3 Ų331.9 Ų31.92%0.01818%0.18CC..Hα-helixtrans-70.6-39.7174.8171.60000111V411 L413 L420 R424 M547 F548 S553 E554V411-V551 HydrophobicContact CB-CG2 4.12Å; V411-V551 HydrophobicContact CG1-CG2 3.82Å; V411-V551 WeakPolarHBondContact O-CG2 3.32Å; L413-V551 HydrophobicContact CD1-CG2 4.22Å; L413-V551 HydrophobicContact CG-CG2 4.07Å; L420-V551 HydrophobicContact CD1-CG1 3.81Å; L420-V551 HydrophobicContact CD2-CG1 3.58Å; L420-V551 HydrophobicContact CG-CG1 4.37Å; R424-V551 PolarHBondContact NH2-O 3.34Å; M547-V551 WeakPolarHBondContact O-CG2 3.43Å; M547-V551 PolarHBondContact O-N 2.64Å; F548-V551 PolarHBondContact O-N 2.85Å; F548-V551 VanDerWaalsContact O-N 3.13Å; V551-S553 VanDerWaalsContact C-N 3.34Å; V551-S553 PolarHBondContact O-N 2.97Å; V551-E554 WeakPolarHBondContact O-CB 3.37Å; V551-E554 PolarHBondContact O-N 3.45Å
552M96.4Very high96.7Very high24 Ų2433.8 Ų33.812%0.11819%0.187CC..Hα-helixtrans-68-34179.6-69.2-58.2-65.100113L420 I423 R424 T452 F548 A549L420-M552 HydrophobicContact CD2-SD 4.42Å; I423-M552 HydrophobicContact CB-SD 4.46Å; I423-M552 HydrophobicContact CG2-CE 3.77Å; I423-M552 HydrophobicContact CG2-SD 3.67Å; R424-M552 HydrophobicContact CB-CE 4.33Å; R424-M552 HydrophobicContact CG-CE 3.64Å; R424-M552 HydrophobicContact CG-SD 4.09Å; T452-M552 HydrophobicContact CG2-CB 3.75Å; T452-M552 HydrophobicContact CG2-CG 3.97Å; F548-M552 HydrophobicContact CD1-CG 4.39Å; F548-M552 HydrophobicContact CD2-CG 4.33Å; F548-M552 HydrophobicContact CE1-CG 3.81Å; F548-M552 HydrophobicContact CE2-CG 3.75Å; F548-M552 HydrophobicContact CE2-SD 3.94Å; F548-M552 HydrophobicContact CZ-CG 3.43Å; F548-M552 VanDerWaalsContact CZ-CG 3.43Å; F548-M552 HydrophobicContact CZ-SD 3.86Å; F548-M552 WeakPolarHBondContact O-CG 3.39Å; F548-M552 PolarHBondContact O-N 3Å; A549-M552 PolarHBondContact O-N 3.12Å
553S96.5Very high96.6Very high2 Ų234 Ų341%0.01419%0.187CC..THydrogen-bonded Turntrans-85.90.7179.851.70000114.8L451 A549 L550 V551 D555 S556 R563L451-S553 WeakPolarHBondContact O-CB 3.13Å; A549-S553 PolarHBondContact O-N 3.18Å; A549-S553 VanDerWaalsContact O-N 3.13Å; A549-S553 PolarHBondContact O-OG 3.48Å; L550-S553 PolarHBondContact O-OG 3.24Å; V551-S553 VanDerWaalsContact C-N 3.34Å; V551-S553 PolarHBondContact O-N 2.97Å; S553-D555 VanDerWaalsContact C-N 3.29Å; S553-D555 PolarHBondContact O-N 2.92Å; S553-S556 WeakPolarHBondContact O-CB 3.35Å; S553-S556 PolarHBondContact O-N 3.12Å; S553-R563 WeakPolarHBondContact O-CD 3.11Å; S553-R563 VanDerWaalsContact OG-CD 3.29Å; S553-R563 WeakPolarHBondContact OG-CD 3.47Å; S553-R563 WeakPolarHBondContact OG-CG 3.47Å; S553-R563 PolarHBondContact OG-NE 3.31Å
554E94.3Very high96.6Very high57 Ų5736.7 Ų36.727%0.26620%0.202SC..THydrogen-bonded Turntrans-56.4-38.4-171.7-173.2172.5-166.300114.1V551 S556 Q560V551-E554 WeakPolarHBondContact O-CB 3.37Å; V551-E554 PolarHBondContact O-N 3.45Å; E554-S556 VanDerWaalsContact C-N 3.31Å; E554-S556 PolarHBondContact O-N 3.46Å; E554-Q560 PolarHBondContact O-NE2 2.81Å
555D92.3Very high96.5Very high115 Ų11540.4 Ų40.462%0.61522%0.219SC*.THydrogen-bonded Turntrans-84.1-6.9-177-60.9-11.7000113R424 S553 I557R424-D555 IonicContact CZ-OD2 3.31Å; R424-D555 VanDerWaalsContact CZ-OD2 3.32Å; R424-D555 IonicContact NH1-OD1 3.08Å; R424-D555 IonicContact NH1-OD2 3.14Å; R424-D555 PolarHBondContact NH1-OD2 2.67Å; R424-D555 IonicContact NH2-OD1 3.44Å; R424-D555 IonicContact NH2-OD2 3.07Å; S553-D555 VanDerWaalsContact C-N 3.29Å; S553-D555 PolarHBondContact O-N 2.92Å; D555-I557 PolarHBondContact O-N 3.11Å
556S93.5Very high96.5Very high34 Ų3440.4 Ų40.424%0.23822%0.219CC..  trans-84.9111.2-178.6-177.60000111S553 E554 S558 M559 Q560S553-S556 WeakPolarHBondContact O-CB 3.35Å; S553-S556 PolarHBondContact O-N 3.12Å; E554-S556 VanDerWaalsContact C-N 3.31Å; E554-S556 PolarHBondContact O-N 3.46Å; S556-S558 VanDerWaalsContact C-N 3.32Å; S556-S558 PolarHBondContact O-N 3.35Å; S556-S558 PolarHBondContact OG-OG 3.28Å; S556-M559 PolarHBondContact O-N 3.23Å; S556-M559 WeakPolarHBondContact OG-CG 3.47Å; S556-Q560 PolarHBondContact O-N 3.47Å; S556-Q560 PolarHBondContact O-NE2 2.89Å
557I94.4Very high96.5Very high153 Ų15340.4 Ų40.479%0.78522%0.219SC*.THydrogen-bonded Turntrans-61.2-42.6178.5-61.2174.6000110.6D555 M559 Q560D555-I557 PolarHBondContact O-N 3.11Å; I557-M559 PolarHBondContact O-N 3.12Å; I557-Q560 WeakPolarHBondContact O-CG 3.41Å; I557-Q560 PolarHBondContact O-N 3.45Å
558S95.8Very high96.4Very high95 Ų9544 Ų4466%0.66424%0.236SC*.THydrogen-bonded Turntrans-65.8-25.2-178.4590000113.2S556S556-S558 VanDerWaalsContact C-N 3.32Å; S556-S558 PolarHBondContact O-N 3.35Å; S556-S558 PolarHBondContact OG-OG 3.28Å
559M95.4Very high96.4Very high32 Ų3244.2 Ų44.216%0.15824%0.238CC..THydrogen-bonded Turntrans-90.1-8.9-179.2-61.9-58.4-171.600113.4Q453 S556 I557 P561 R562 R563Q453-M559 HydrophobicContact CG-CE 4.44Å; S556-M559 PolarHBondContact O-N 3.23Å; S556-M559 WeakPolarHBondContact OG-CG 3.47Å; I557-M559 PolarHBondContact O-N 3.12Å; M559-P561 VanDerWaalsContact C-CD 3.48Å; M559-R562 PolarHBondContact O-N 2.7Å; M559-R562 VanDerWaalsContact O-N 3.11Å; M559-R563 HydrophobicContact CB-CG 4.46Å; M559-R563 WeakPolarHBondContact O-CG 3.34Å; M559-R563 PolarHBondContact O-N 3.45Å
560Q95.8Very high96.4Very high56 Ų5644.2 Ų44.226%0.26224%0.238SC..Hα-helixtrans-55.2-42.5-177.9-64.3-55.9-46.100114.3E554 S556 I557 R562 R563 N564E554-Q560 PolarHBondContact O-NE2 2.81Å; S556-Q560 PolarHBondContact O-N 3.47Å; S556-Q560 PolarHBondContact O-NE2 2.89Å; I557-Q560 WeakPolarHBondContact O-CG 3.41Å; I557-Q560 PolarHBondContact O-N 3.45Å; Q560-R562 VanDerWaalsContact C-N 3.32Å; Q560-R562 PolarHBondContact O-N 2.92Å; Q560-R563 PolarHBondContact O-N 3.08Å; Q560-N564 WeakPolarHBondContact O-CB 3.21Å; Q560-N564 VanDerWaalsContact O-CG 3.27Å; Q560-N564 PolarHBondContact O-N 2.85Å; Q560-N564 PolarHBondContact O-ND2 2.73Å
561P97.1Very high96.3Very high94 Ų9449.8 Ų49.861%0.6126%0.263SS*.Hα-helixtrans-59.3-44.8177.1-23.935000112M559 N564 E565M559-P561 VanDerWaalsContact C-CD 3.48Å; P561-N564 PolarHBondContact O-N 2.73Å; P561-E565 PolarHBondContact O-N 2.65Å
562R97.6Very high96.3Very high40 Ų4055.7 Ų55.715%0.15129%0.288CS..Hα-helixtrans-66.6-41.8179.3-177.455.5167.1168.12112.2E450 L451 M559 Q560 E565 I566 T702 D703E450-R562 WeakPolarHBondContact OE1-CG 2.93Å; E450-R562 IonicContact OE1-CZ 3.66Å; E450-R562 IonicContact OE1-NE 3.53Å; E450-R562 PolarHBondContact OE1-NE 3.39Å; E450-R562 IonicContact OE1-NH2 3.34Å; E450-R562 IonicContact OE2-NH2 2.71Å; E450-R562 PolarHBondContact OE2-NH2 3.22Å; L451-R562 HydrophobicContact CD2-CG 4.22Å; M559-R562 PolarHBondContact O-N 2.7Å; M559-R562 VanDerWaalsContact O-N 3.11Å; Q560-R562 VanDerWaalsContact C-N 3.32Å; Q560-R562 PolarHBondContact O-N 2.92Å; R562-E565 WeakPolarHBondContact CD-OE2 3.38Å; R562-E565 IonicContact CZ-OE2 2.77Å; R562-E565 IonicContact NH1-OE1 3.64Å; R562-E565 PolarHBondContact NH1-OE1 3.48Å; R562-E565 IonicContact NH1-OE2 3.68Å; R562-E565 PolarHBondContact NH1-OE2 3.23Å; R562-E565 WeakPolarHBondContact O-CB 3.43Å; R562-E565 PolarHBondContact O-N 3.34Å; R562-I566 HydrophobicContact CG-CD1 4.16Å; R562-I566 VanDerWaalsContact O-CG1 3.3Å; R562-I566 WeakPolarHBondContact O-CG1 3.43Å; R562-I566 PolarHBondContact O-N 3.5Å; R562-I566 VanDerWaalsContact O-N 3.09Å; R562-T702 VanDerWaalsContact NH1-CG2 3.28Å; R562-D703 IonicContact CZ-OD1 3.51Å; R562-D703 VanDerWaalsContact CZ-OD1 3.31Å; R562-D703 IonicContact NH1-OD1 3.67Å; R562-D703 PolarHBondContact NH1-OD1 3.41Å; R562-D703 VanDerWaalsContact NH1-OD1 3.07Å; R562-D703 IonicContact NH2-OD1 2.73Å; R562-D703 PolarHBondContact NH2-OD1 2.79Å; R562-D703 IonicContact NH2-OD2 3.5Å
563R97.4Very high96.4Very high5 Ų554.5 Ų54.52%0.01928%0.282CS..Hα-helixtrans-60.2-47.7174.4-68.4178.375.1-113-1.3111.6L550 S553 M559 Q560 E565 I566 I567L550-R563 HydrophobicContact CD2-CB 4.02Å; L550-R563 HydrophobicContact CD2-CG 4.01Å; L550-R563 PolarHBondContact O-NE 2.88Å; L550-R563 PolarHBondContact O-NH2 3.17Å; S553-R563 WeakPolarHBondContact O-CD 3.11Å; S553-R563 VanDerWaalsContact OG-CD 3.29Å; S553-R563 WeakPolarHBondContact OG-CD 3.47Å; S553-R563 WeakPolarHBondContact OG-CG 3.47Å; S553-R563 PolarHBondContact OG-NE 3.31Å; M559-R563 HydrophobicContact CB-CG 4.46Å; M559-R563 WeakPolarHBondContact O-CG 3.34Å; M559-R563 PolarHBondContact O-N 3.45Å; Q560-R563 PolarHBondContact O-N 3.08Å; R563-E565 VanDerWaalsContact C-N 3.34Å; R563-E565 PolarHBondContact O-N 3.5Å; R563-I566 PolarHBondContact O-N 2.89Å; R563-I567 VanDerWaalsContact O-CG1 3.26Å; R563-I567 WeakPolarHBondContact O-CG1 3.41Å; R563-I567 PolarHBondContact O-N 3.02Å
564N96.7Very high96.5Very high57 Ų5754.9 Ų54.931%0.30528%0.284SS..Hα-helixtrans-62.6-41.7179.2-72.7-26.7000111.5N409 Q560 P561 I567 Q568N409-N564 WeakPolarHBondContact CB-OD1 3.35Å; N409-N564 PolarHBondContact ND2-OD1 3.18Å; Q560-N564 WeakPolarHBondContact O-CB 3.21Å; Q560-N564 VanDerWaalsContact O-CG 3.27Å; Q560-N564 PolarHBondContact O-N 2.85Å; Q560-N564 PolarHBondContact O-ND2 2.73Å; P561-N564 PolarHBondContact O-N 2.73Å; N564-I567 PolarHBondContact O-N 3.04Å; N564-Q568 WeakPolarHBondContact O-CB 3.44Å; N564-Q568 VanDerWaalsContact O-CG 3.24Å; N564-Q568 WeakPolarHBondContact O-CG 3.47Å; N564-Q568 PolarHBondContact O-N 2.74Å
565E97.6Very high96.6Very high78 Ų7856.6 Ų56.636%0.36430%0.296SS..Hα-helixtrans-54.5-53.4173.9-169.5-152154.100111.3P561 R562 R563 I567 Q568 A569 T702P561-E565 PolarHBondContact O-N 2.65Å; R562-E565 WeakPolarHBondContact CD-OE2 3.38Å; R562-E565 IonicContact CZ-OE2 2.77Å; R562-E565 IonicContact NH1-OE1 3.64Å; R562-E565 PolarHBondContact NH1-OE1 3.48Å; R562-E565 IonicContact NH1-OE2 3.68Å; R562-E565 PolarHBondContact NH1-OE2 3.23Å; R562-E565 WeakPolarHBondContact O-CB 3.43Å; R562-E565 PolarHBondContact O-N 3.34Å; R563-E565 VanDerWaalsContact C-N 3.34Å; R563-E565 PolarHBondContact O-N 3.5Å; E565-I567 PolarHBondContact O-N 2.94Å; E565-Q568 PolarHBondContact O-N 2.88Å; E565-A569 PolarHBondContact O-N 2.8Å; E565-T702 VanDerWaalsContact OE1-CG2 3.25Å; E565-T702 WeakPolarHBondContact OE1-CG2 3.28Å; E565-T702 PolarHBondContact OE1-OG1 2.89Å
566I98.3Very high96.9Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-62-45.9-179.3-63.5165.1000110.7I447 L451 V546 L550 R562 R563 Q568 A569 L570 T702 L705I447-I566 HydrophobicContact CD1-CD1 3.84Å; L451-I566 HydrophobicContact CD1-CD1 4.11Å; V546-I566 HydrophobicContact CG1-CG2 3.8Å; L550-I566 HydrophobicContact CD1-CG2 3.94Å; L550-I566 HydrophobicContact CD2-CB 4.14Å; L550-I566 HydrophobicContact CD2-CD1 4.22Å; L550-I566 HydrophobicContact CD2-CG2 4.14Å; L550-I566 HydrophobicContact CG-CG2 4.4Å; R562-I566 HydrophobicContact CG-CD1 4.16Å; R562-I566 VanDerWaalsContact O-CG1 3.3Å; R562-I566 WeakPolarHBondContact O-CG1 3.43Å; R562-I566 PolarHBondContact O-N 3.5Å; R562-I566 VanDerWaalsContact O-N 3.09Å; R563-I566 PolarHBondContact O-N 2.89Å; I566-Q568 VanDerWaalsContact C-N 3.32Å; I566-Q568 PolarHBondContact O-N 3.13Å; I566-A569 WeakPolarHBondContact O-CB 3.49Å; I566-A569 PolarHBondContact O-N 2.7Å; I566-A569 VanDerWaalsContact O-N 3.14Å; I566-L570 HydrophobicContact CG2-CG 4.41Å; I566-L570 WeakPolarHBondContact O-CG 3.37Å; I566-L570 PolarHBondContact O-N 3.22Å; I566-T702 HydrophobicContact CG1-CG2 3.97Å; I566-L705 HydrophobicContact CG2-CD1 4.29Å
567I97.8Very high97.1Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-63.6-38.5-178.9-67.8167.6000111.6V404 F406 N409 V411 L550 R563 N564 E565 A569 L570 K571V404-I567 HydrophobicContact CG1-CG2 4.08Å; F406-I567 HydrophobicContact CD1-CG2 4.14Å; N409-I567 HydrophobicContact CB-CD1 4.1Å; N409-I567 HydrophobicContact CB-CG2 4.29Å; N409-I567 WeakPolarHBondContact O-CD1 3.36Å; N409-I567 WeakPolarHBondContact OD1-CG2 3.43Å; V411-I567 HydrophobicContact CG2-CD1 3.93Å; V411-I567 HydrophobicContact CG2-CG1 4.13Å; L550-I567 HydrophobicContact CD1-CG1 3.85Å; L550-I567 HydrophobicContact CD2-CG1 4.33Å; R563-I567 VanDerWaalsContact O-CG1 3.26Å; R563-I567 WeakPolarHBondContact O-CG1 3.41Å; R563-I567 PolarHBondContact O-N 3.02Å; N564-I567 PolarHBondContact O-N 3.04Å; E565-I567 PolarHBondContact O-N 2.94Å; I567-A569 VanDerWaalsContact C-N 3.34Å; I567-L570 WeakPolarHBondContact O-CB 3.43Å; I567-L570 PolarHBondContact O-N 3.45Å; I567-K571 PolarHBondContact O-N 3.22Å
568Q96.9Very high97.3Very high75 Ų7549.2 Ų49.235%0.3525%0.245SC..Hα-helixtrans-69.4-33.4175.2-67.9-58.5-43.300112.1N409 N564 E565 I566 K571N409-Q568 PolarHBondContact OD1-NE2 3.08Å; N564-Q568 WeakPolarHBondContact O-CB 3.44Å; N564-Q568 VanDerWaalsContact O-CG 3.24Å; N564-Q568 WeakPolarHBondContact O-CG 3.47Å; N564-Q568 PolarHBondContact O-N 2.74Å; E565-Q568 PolarHBondContact O-N 2.88Å; I566-Q568 VanDerWaalsContact C-N 3.32Å; I566-Q568 PolarHBondContact O-N 3.13Å; Q568-K571 WeakPolarHBondContact O-CB 3.5Å; Q568-K571 PolarHBondContact O-N 3.44Å
569A97.6Very high97.4Very high8 Ų847 Ų477%0.06623%0.23CC..Hα-helixtrans-67.8-40.6172.400000112.1E565 I566 I567 K571 K572 L573 T702 L705E565-A569 PolarHBondContact O-N 2.8Å; I566-A569 WeakPolarHBondContact O-CB 3.49Å; I566-A569 PolarHBondContact O-N 2.7Å; I566-A569 VanDerWaalsContact O-N 3.14Å; I567-A569 VanDerWaalsContact C-N 3.34Å; A569-K571 PolarHBondContact O-N 2.62Å; A569-K572 PolarHBondContact O-N 2.78Å; A569-L573 PolarHBondContact O-N 3.02Å; A569-L573 VanDerWaalsContact O-N 3.14Å; A569-T702 WeakPolarHBondContact CB-OG1 3.35Å; A569-L705 HydrophobicContact CB-CD1 3.67Å
570L98Very high97.5Very high0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-55.5-36.1174.5-73.1-177.3000112.6M400 F406 L543 L550 I566 I567 K572 L573 L705M400-L570 HydrophobicContact SD-CB 3.87Å; M400-L570 HydrophobicContact SD-CD1 4.45Å; M400-L570 HydrophobicContact SD-CD2 4.19Å; M400-L570 HydrophobicContact SD-CG 4.4Å; F406-L570 HydrophobicContact CE1-CB 4.08Å; L543-L570 HydrophobicContact CD1-CD1 4.4Å; L543-L570 HydrophobicContact CD1-CD2 3.25Å; L543-L570 HydrophobicContact CD1-CG 4.44Å; L550-L570 HydrophobicContact CD1-CD1 3.99Å; I566-L570 HydrophobicContact CG2-CG 4.41Å; I566-L570 WeakPolarHBondContact O-CG 3.37Å; I566-L570 PolarHBondContact O-N 3.22Å; I567-L570 WeakPolarHBondContact O-CB 3.43Å; I567-L570 PolarHBondContact O-N 3.45Å; L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 3.49Å; L570-L573 HydrophobicContact CD2-CD2 4.23Å; L570-L573 WeakPolarHBondContact O-CB 3.42Å; L570-L573 PolarHBondContact O-N 2.96Å; L570-L705 HydrophobicContact CD2-CD1 3.72Å; L570-L705 HydrophobicContact CD2-CD2 3.74Å; L570-L705 HydrophobicContact CD2-CG 4.41Å; L570-L705 HydrophobicContact CG-CD1 4.12Å
571K96.7Very high97.6Very high118 Ų11843.5 Ų43.551%0.51321%0.213SC..Hα-helixtrans-60.7-37.2177.3-169.9178.3179.2175.70112.6F406 I567 Q568 A569F406-K571 HydrophobicContact CB-CD 4.23Å; F406-K571 HydrophobicContact CD1-CB 3.65Å; F406-K571 HydrophobicContact CD1-CD 4.42Å; F406-K571 HydrophobicContact CD1-CG 4.08Å; F406-K571 HydrophobicContact CE1-CB 3.69Å; F406-K571 HydrophobicContact CE1-CG 4.35Å; F406-K571 HydrophobicContact CG-CB 4.24Å; F406-K571 HydrophobicContact CG-CD 4.31Å; F406-K571 HydrophobicContact CG-CG 4.15Å; F406-K571 HydrophobicContact CZ-CB 4.32Å; I567-K571 PolarHBondContact O-N 3.22Å; Q568-K571 WeakPolarHBondContact O-CB 3.5Å; Q568-K571 PolarHBondContact O-N 3.44Å; A569-K571 PolarHBondContact O-N 2.62Å
572K97.1Very high97.6Very high126 Ų12646 Ų4655%0.54822%0.217SC..Hα-helixtrans-87.7-18.2-176.5-59.7177.7-175.3177.20112.9A569 L570 D575 Q576A569-K572 PolarHBondContact O-N 2.78Å; L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 3.49Å; K572-D575 PolarHBondContact O-N 3.31Å; K572-Q576 HydrophobicContact CB-CG 4.42Å; K572-Q576 WeakPolarHBondContact O-CG 3.48Å; K572-Q576 PolarHBondContact O-N 3.06Å
573L97.6Very high97.5Very high0 Ų045.1 Ų45.10%022%0.216CC..Hα-helixtrans-56.8-42.6-169.4-173.168.3000114.6I396 A569 L570 D575 Q576 M577 L708 L709I396-L573 HydrophobicContact CD1-CD2 4.17Å; I396-L573 HydrophobicContact CD1-CG 4.43Å; I396-L573 HydrophobicContact CG2-CD2 3.95Å; I396-L573 HydrophobicContact CG2-CG 4.34Å; A569-L573 PolarHBondContact O-N 3.02Å; A569-L573 VanDerWaalsContact O-N 3.14Å; L570-L573 HydrophobicContact CD2-CD2 4.23Å; L570-L573 WeakPolarHBondContact O-CB 3.42Å; L570-L573 PolarHBondContact O-N 2.96Å; L573-D575 PolarHBondContact O-N 2.89Å; L573-Q576 PolarHBondContact O-N 2.91Å; L573-M577 WeakPolarHBondContact O-CB 3.38Å; L573-M577 PolarHBondContact O-N 2.95Å; L573-L708 HydrophobicContact CD1-CB 4.4Å; L573-L708 HydrophobicContact CD2-CD1 3.57Å; L573-L709 HydrophobicContact CD1-CD2 3.89Å; L573-L709 HydrophobicContact CD1-CG 4.12Å
574P97.6Very high97.5Very high9 Ų946.2 Ų46.26%0.05822%0.222CC..Hα-helixtrans-59.9-42.8177.1-24.134.4000113.1I396 F397 M400 M577 R578I396-P574 HydrophobicContact CG2-CG 4.17Å; F397-P574 HydrophobicContact CB-CG 4.49Å; M400-P574 HydrophobicContact CE-CG 4.04Å; P574-M577 PolarHBondContact O-N 3.46Å; P574-R578 PolarHBondContact O-N 3.29Å
575D97.8Very high97.5Very high94 Ų9448.6 Ų48.650%0.50324%0.235SC..Hα-helixtrans-70-41-179.9-63.1-22.9000111K572 L573 M577 R578 S579K572-D575 PolarHBondContact O-N 3.31Å; L573-D575 PolarHBondContact O-N 2.89Å; D575-M577 VanDerWaalsContact C-N 3.29Å; D575-M577 PolarHBondContact O-N 3.07Å; D575-R578 PolarHBondContact O-N 3Å; D575-R578 IonicContact OD1-CZ 2.53Å; D575-R578 IonicContact OD1-NH1 2.68Å; D575-R578 PolarHBondContact OD1-NH1 3.07Å; D575-R578 IonicContact OD1-NH2 3.58Å; D575-R578 PolarHBondContact OD1-NH2 2.96Å; D575-S579 PolarHBondContact O-N 2.87Å; D575-S579 VanDerWaalsContact O-N 3.1Å
576Q98.1Very high97.5Very high30 Ų3048.4 Ų48.414%0.1424%0.239CC..Hα-helixtrans-58.9-41.9173.1-70-179.1-39.700111.4K572 L573 S579 V580 P699 Y700 T701 L709K572-Q576 HydrophobicContact CB-CG 4.42Å; K572-Q576 WeakPolarHBondContact O-CG 3.48Å; K572-Q576 PolarHBondContact O-N 3.06Å; L573-Q576 PolarHBondContact O-N 2.91Å; Q576-S579 WeakPolarHBondContact O-CB 3.27Å; Q576-S579 PolarHBondContact O-N 3.38Å; Q576-V580 WeakPolarHBondContact O-CG2 3.31Å; Q576-V580 PolarHBondContact O-N 3.17Å; Q576-P699 HydrophobicContact CB-CB 4.14Å; Q576-P699 HydrophobicContact CB-CG 4.28Å; Q576-P699 HydrophobicContact CG-CB 4Å; Q576-Y700 PolarHBondContact NE2-O 3.43Å; Q576-T701 PolarHBondContact OE1-OG1 3.21Å; Q576-L709 HydrophobicContact CB-CD1 4.02Å; Q576-L709 HydrophobicContact CB-CD2 4.03Å
577M97.8Very high97.4Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-66-37.5177.7-172.7163-74.700112.7Q392 P393 I396 L573 P574 D575 S579 V580 L581 L708 L709 V712Q392-M577 HydrophobicContact CB-CG 4.43Å; Q392-M577 HydrophobicContact CB-SD 3.29Å; Q392-M577 WeakPolarHBondContact CB-SD 3.27Å; Q392-M577 HydrophobicContact CG-SD 4.47Å; P393-M577 HydrophobicContact CG-CB 4.21Å; P393-M577 HydrophobicContact CG-CG 4.01Å; I396-M577 HydrophobicContact CD1-CE 3.26Å; I396-M577 HydrophobicContact CD1-SD 3.48Å; I396-M577 WeakPolarHBondContact CD1-SD 3.36Å; I396-M577 HydrophobicContact CG1-SD 4.47Å; L573-M577 WeakPolarHBondContact O-CB 3.38Å; L573-M577 PolarHBondContact O-N 2.95Å; P574-M577 PolarHBondContact O-N 3.46Å; D575-M577 VanDerWaalsContact C-N 3.29Å; D575-M577 PolarHBondContact O-N 3.07Å; M577-S579 VanDerWaalsContact C-N 3.31Å; M577-S579 PolarHBondContact O-N 3.25Å; M577-V580 PolarHBondContact O-N 3.39Å; M577-L581 WeakPolarHBondContact O-CG 3.25Å; M577-L581 PolarHBondContact O-N 2.76Å; M577-L708 HydrophobicContact CE-CB 4.36Å; M577-L708 WeakPolarHBondContact CE-O 3.48Å; M577-L709 HydrophobicContact CB-CD2 4.13Å; M577-L709 HydrophobicContact CE-CD2 4.29Å; M577-V712 HydrophobicContact CE-CG2 4.01Å; M577-V712 HydrophobicContact CG-CG2 4.3Å; M577-V712 HydrophobicContact SD-CG2 4.39Å
578R97.9Very high97.4Very high116 Ų11652.4 Ų52.444%0.43825%0.254SS..Hα-helixtrans-58.9-44171.4-70.5-169.5-146.9111.313.3111.5P393 P574 D575 V580 L581 E582P393-R578 HydrophobicContact CB-CG 3.77Å; P393-R578 HydrophobicContact CG-CG 3.59Å; P574-R578 PolarHBondContact O-N 3.29Å; D575-R578 PolarHBondContact O-N 3Å; D575-R578 IonicContact OD1-CZ 2.53Å; D575-R578 IonicContact OD1-NH1 2.68Å; D575-R578 PolarHBondContact OD1-NH1 3.07Å; D575-R578 IonicContact OD1-NH2 3.58Å; D575-R578 PolarHBondContact OD1-NH2 2.96Å; R578-V580 VanDerWaalsContact C-N 3.32Å; R578-V580 PolarHBondContact O-N 3.44Å; R578-L581 WeakPolarHBondContact O-CB 3.3Å; R578-L581 PolarHBondContact O-N 3.2Å; R578-L581 VanDerWaalsContact O-N 3.16Å; R578-E582 PolarHBondContact O-N 3.22Å
579S97.7Very high97.4Very high48 Ų4852.9 Ų52.934%0.33626%0.259SS..Hα-helixtrans-61.6-38.5175.8179.90000112.3D575 Q576 M577 L581 E582D575-S579 PolarHBondContact O-N 2.87Å; D575-S579 VanDerWaalsContact O-N 3.1Å; Q576-S579 WeakPolarHBondContact O-CB 3.27Å; Q576-S579 PolarHBondContact O-N 3.38Å; M577-S579 VanDerWaalsContact C-N 3.31Å; M577-S579 PolarHBondContact O-N 3.25Å; S579-L581 VanDerWaalsContact C-N 3.33Å; S579-L581 PolarHBondContact O-N 3.34Å; S579-E582 WeakPolarHBondContact O-CB 3.3Å; S579-E582 PolarHBondContact O-N 3.25Å
580V98.2Very high97.3Very high1 Ų153.1 Ų53.11%0.00626%0.259CS..Hα-helixtrans-64.5-37.2175-179.60000112.1Q576 M577 R578 E582 T583 V698 P699 L709 V712 P713Q576-V580 WeakPolarHBondContact O-CG2 3.31Å; Q576-V580 PolarHBondContact O-N 3.17Å; M577-V580 PolarHBondContact O-N 3.39Å; R578-V580 VanDerWaalsContact C-N 3.32Å; R578-V580 PolarHBondContact O-N 3.44Å; V580-E582 PolarHBondContact O-N 3.4Å; V580-T583 WeakPolarHBondContact O-CB 3.3Å; V580-T583 WeakPolarHBondContact O-CG2 3.47Å; V580-T583 PolarHBondContact O-N 3.03Å; V580-T583 PolarHBondContact O-OG1 3.03Å; V580-V698 HydrophobicContact CG1-CG1 4.02Å; V580-V698 HydrophobicContact CG2-CB 3.96Å; V580-V698 HydrophobicContact CG2-CG1 4Å; V580-P699 HydrophobicContact CG2-CG 4.31Å; V580-L709 HydrophobicContact CG2-CB 4.21Å; V580-L709 HydrophobicContact CG2-CD2 4.16Å; V580-V712 HydrophobicContact CG1-CB 3.76Å; V580-V712 HydrophobicContact CG1-CG1 3.91Å; V580-P713 HydrophobicContact CG1-CG 3.76Å
581L97.8Very high97.2Very high14 Ų1453.1 Ų53.17%0.07326%0.259CS..Hα-helixtrans-63.4-23177.7-69.7167.6000112.8I389 F390 P393 M577 R578 S579 T583 D584 V712I389-L581 HydrophobicContact CG2-CD2 3.8Å; F390-L581 HydrophobicContact CD1-CB 4.47Å; F390-L581 HydrophobicContact CD1-CD1 4.37Å; F390-L581 HydrophobicContact CD1-CD2 4.35Å; F390-L581 HydrophobicContact CD2-CD2 4.41Å; F390-L581 HydrophobicContact CE1-CB 4.36Å; F390-L581 HydrophobicContact CG-CD2 4.29Å; P393-L581 HydrophobicContact CG-CD1 3.79Å; M577-L581 WeakPolarHBondContact O-CG 3.25Å; M577-L581 PolarHBondContact O-N 2.76Å; R578-L581 WeakPolarHBondContact O-CB 3.3Å; R578-L581 PolarHBondContact O-N 3.2Å; R578-L581 VanDerWaalsContact O-N 3.16Å; S579-L581 VanDerWaalsContact C-N 3.33Å; S579-L581 PolarHBondContact O-N 3.34Å; L581-T583 PolarHBondContact O-N 3.1Å; L581-D584 WeakPolarHBondContact O-CB 3.37Å; L581-D584 PolarHBondContact O-N 3.37Å; L581-V712 HydrophobicContact CD2-CG1 3.57Å; L581-V712 HydrophobicContact CG-CG1 4.2Å
582E97.2Very high97.2Very high148 Ų14852.3 Ų52.369%0.69226%0.256SS*.THydrogen-bonded Turntrans-65.9-16.7174.3-60.8173.2167.600112.6R578 S579 V580 D584R578-E582 PolarHBondContact O-N 3.22Å; S579-E582 WeakPolarHBondContact O-CB 3.3Å; S579-E582 PolarHBondContact O-N 3.25Å; V580-E582 PolarHBondContact O-N 3.4Å; E582-D584 PolarHBondContact O-N 3.23Å
583T96Very high97Very high20 Ų2051.8 Ų51.812%0.12326%0.255CS..THydrogen-bonded Turntrans-72.6-3.8175.2700000113.7V580 L581 N585 V586 V587 I696V580-T583 WeakPolarHBondContact O-CB 3.3Å; V580-T583 WeakPolarHBondContact O-CG2 3.47Å; V580-T583 PolarHBondContact O-N 3.03Å; V580-T583 PolarHBondContact O-OG1 3.03Å; L581-T583 PolarHBondContact O-N 3.1Å; T583-N585 VanDerWaalsContact C-N 3.33Å; T583-N585 PolarHBondContact O-N 2.94Å; T583-V586 WeakPolarHBondContact O-CA 3.35Å; T583-V586 WeakPolarHBondContact O-CB 3.4Å; T583-V586 PolarHBondContact O-N 3.29Å; T583-V587 WeakPolarHBondContact O-CG2 3.48Å; T583-V587 PolarHBondContact O-N 3.3Å; T583-I696 HydrophobicContact CG2-CG2 4.1Å
584D97.2Very high96.7Very high28 Ų2852 Ų5215%0.1526%0.257CS..Hα-helixtrans-47.4-48.7-177.6-177.858.3000113.8F390 L581 E582 V586 V587 R588 L716 H720F390-D584 HydrophobicContact CZ-CB 4.16Å; L581-D584 WeakPolarHBondContact O-CB 3.37Å; L581-D584 PolarHBondContact O-N 3.37Å; E582-D584 PolarHBondContact O-N 3.23Å; D584-V586 VanDerWaalsContact C-N 3.33Å; D584-V586 PolarHBondContact O-N 2.59Å; D584-V587 PolarHBondContact O-N 3.2Å; D584-R588 VanDerWaalsContact O-CB 3.31Å; D584-R588 WeakPolarHBondContact O-CB 3.39Å; D584-R588 PolarHBondContact O-N 2.98Å; D584-L716 HydrophobicContact CB-CD1 4.32Å; D584-H720 IonicContact OD1-CD2 3.63Å; D584-H720 IonicContact OD1-CE1 3.72Å; D584-H720 PolarHBondContact OD1-CE1 2.7Å; D584-H720 IonicContact OD1-NE2 3.85Å; D584-H720 PolarHBondContact OD1-NE2 3.14Å
585N96.7Very high96.5Very high107 Ų10752.1 Ų52.157%0.57226%0.257SS*.Hα-helixtrans-65-36.3-180-75.9-46.9000112.7T583 N589T583-N585 VanDerWaalsContact C-N 3.33Å; T583-N585 PolarHBondContact O-N 2.94Å; N585-N589 PolarHBondContact O-N 2.75Å; N585-N589 VanDerWaalsContact O-N 3.16Å; N585-N589 PolarHBondContact O-ND2 3.06Å
586V96.6Very high96.1Very high74 Ų7455.5 Ų55.545%0.44827%0.27SS..Hα-helixtrans-68.3-48.3177.4-179.20000109.6T583 D584 R588 N589 L590T583-V586 WeakPolarHBondContact O-CA 3.35Å; T583-V586 WeakPolarHBondContact O-CB 3.4Å; T583-V586 PolarHBondContact O-N 3.29Å; D584-V586 VanDerWaalsContact C-N 3.33Å; D584-V586 PolarHBondContact O-N 2.59Å; V586-R588 VanDerWaalsContact C-N 3.29Å; V586-R588 PolarHBondContact O-N 2.76Å; V586-N589 PolarHBondContact O-N 3.32Å; V586-N589 VanDerWaalsContact O-N 3.15Å; V586-L590 HydrophobicContact CG1-CD1 4.27Å; V586-L590 WeakPolarHBondContact O-CG 3.42Å; V586-L590 PolarHBondContact O-N 3.37Å
587V97.4Very high95.8Very high1 Ų156.2 Ų56.21%0.00628%0.276CS..Hα-helixtrans-59.7-41.4177.4177.30000111T583 D584 N589 L590 S591 I696 P713 L716 L717T583-V587 WeakPolarHBondContact O-CG2 3.48Å; T583-V587 PolarHBondContact O-N 3.3Å; D584-V587 PolarHBondContact O-N 3.2Å; V587-N589 VanDerWaalsContact C-N 3.33Å; V587-N589 PolarHBondContact O-N 3.25Å; V587-L590 PolarHBondContact O-N 2.95Å; V587-S591 WeakPolarHBondContact O-CB 3.06Å; V587-S591 PolarHBondContact O-N 2.82Å; V587-S591 PolarHBondContact O-OG 2.94Å; V587-I696 HydrophobicContact CG2-CD1 3.87Å; V587-P713 HydrophobicContact CG2-CB 4.08Å; V587-L716 HydrophobicContact CB-CB 4.36Å; V587-L716 HydrophobicContact CG1-CB 3.85Å; V587-L717 HydrophobicContact CG1-CB 3.87Å; V587-L717 HydrophobicContact CG1-CD1 4.29Å; V587-L717 VanDerWaalsContact CG1-N 3.3Å
588R97.1Very high95.6Very high83 Ų8364.8 Ų64.831%0.31331%0.313SS..Hα-helixtrans-61.2-40.2176.4-172.1174.4-171.6-166.10.7112.7D584 V586 S591 K592D584-R588 VanDerWaalsContact O-CB 3.31Å; D584-R588 WeakPolarHBondContact O-CB 3.39Å; D584-R588 PolarHBondContact O-N 2.98Å; V586-R588 VanDerWaalsContact C-N 3.29Å; V586-R588 PolarHBondContact O-N 2.76Å; R588-S591 WeakPolarHBondContact O-CB 3.37Å; R588-S591 PolarHBondContact O-N 3.46Å; R588-K592 PolarHBondContact O-N 2.81Å
589N96.8Very high95.5Very high85 Ų8561.5 Ų61.546%0.45531%0.308SS..Hα-helixtrans-68-43.3177.3-73.6-27.1000111.7N585 V586 V587 S591 K592N585-N589 PolarHBondContact O-N 2.75Å; N585-N589 VanDerWaalsContact O-N 3.16Å; N585-N589 PolarHBondContact O-ND2 3.06Å; V586-N589 PolarHBondContact O-N 3.32Å; V586-N589 VanDerWaalsContact O-N 3.15Å; V587-N589 VanDerWaalsContact C-N 3.33Å; V587-N589 PolarHBondContact O-N 3.25Å; N589-S591 VanDerWaalsContact C-N 3.27Å; N589-S591 PolarHBondContact O-N 3.36Å; N589-K592 WeakPolarHBondContact O-CB 3.25Å; N589-K592 PolarHBondContact O-N 3.1Å; N589-K592 VanDerWaalsContact O-N 3.16Å; N589-K592 PolarHBondContact OD1-NZ 3.49Å; N589-K592 VanDerWaalsContact OD1-NZ 3.08Å
590L95.6Very high95.4Very high13 Ų1359.3 Ų59.37%0.06829%0.292CS..Hα-helixtrans-60.9-37.5173.1-67.7168.9000112V586 V587 K592 E593 I594 I677 R694 I696V586-L590 HydrophobicContact CG1-CD1 4.27Å; V586-L590 WeakPolarHBondContact O-CG 3.42Å; V586-L590 PolarHBondContact O-N 3.37Å; V587-L590 PolarHBondContact O-N 2.95Å; L590-K592 VanDerWaalsContact C-N 3.26Å; L590-K592 PolarHBondContact O-N 2.88Å; L590-E593 WeakPolarHBondContact O-CB 3.35Å; L590-E593 PolarHBondContact O-N 3Å; L590-E593 VanDerWaalsContact O-N 3.09Å; L590-I594 PolarHBondContact O-N 3.04Å; L590-I677 HydrophobicContact CB-CD1 4.31Å; L590-I677 HydrophobicContact CD1-CG2 4Å; L590-I677 HydrophobicContact CD2-CD1 4.4Å; L590-I677 HydrophobicContact CD2-CG1 4.48Å; L590-R694 HydrophobicContact CD2-CB 3.9Å; L590-R694 HydrophobicContact CD2-CG 3.63Å; L590-I696 HydrophobicContact CD1-CD1 3.72Å; L590-I696 HydrophobicContact CD1-CG1 3.88Å
591S96.1Very high95.4Very high0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-61.3-34.2177.2-55.90000112.3V587 R588 N589 E593 I594 C595 L717 H720V587-S591 WeakPolarHBondContact O-CB 3.06Å; V587-S591 PolarHBondContact O-N 2.82Å; V587-S591 PolarHBondContact O-OG 2.94Å; R588-S591 WeakPolarHBondContact O-CB 3.37Å; R588-S591 PolarHBondContact O-N 3.46Å; N589-S591 VanDerWaalsContact C-N 3.27Å; N589-S591 PolarHBondContact O-N 3.36Å; S591-E593 VanDerWaalsContact C-N 3.29Å; S591-E593 PolarHBondContact O-N 3.27Å; S591-I594 PolarHBondContact O-N 3.01Å; S591-C595 VanDerWaalsContact O-CB 3.28Å; S591-C595 WeakPolarHBondContact O-CB 3.32Å; S591-C595 PolarHBondContact O-N 3.13Å; S591-L717 WeakPolarHBondContact OG-CD1 3.47Å; S591-H720 WeakPolarHBondContact OG-CB 3.44Å
592K96.1Very high95.4Very high102 Ų10259.1 Ų59.144%0.44329%0.291SS..Hα-helixtrans-66.5-29.7176-66.5169-173.9162.50112.6R588 N589 L590 C595 L724R588-K592 PolarHBondContact O-N 2.81Å; N589-K592 WeakPolarHBondContact O-CB 3.25Å; N589-K592 PolarHBondContact O-N 3.1Å; N589-K592 VanDerWaalsContact O-N 3.16Å; N589-K592 PolarHBondContact OD1-NZ 3.49Å; N589-K592 VanDerWaalsContact OD1-NZ 3.08Å; L590-K592 VanDerWaalsContact C-N 3.26Å; L590-K592 PolarHBondContact O-N 2.88Å; K592-C595 PolarHBondContact O-SG 3.17Å; K592-C595 VanDerWaalsContact O-SG 3.36Å; K592-L724 HydrophobicContact CB-CD1 4.49Å; K592-L724 HydrophobicContact CG-CD1 3.92Å; K592-L724 HydrophobicContact CG-CD2 4.14Å
593E93.1Very high95.4Very high114 Ų11452.1 Ų52.153%0.53326%0.259SS..Hα-helixtrans-72.1-33.3178.7-62.4176.9-161.500111.8L590 S591 R694L590-E593 WeakPolarHBondContact O-CB 3.35Å; L590-E593 PolarHBondContact O-N 3Å; L590-E593 VanDerWaalsContact O-N 3.09Å; S591-E593 VanDerWaalsContact C-N 3.29Å; S591-E593 PolarHBondContact O-N 3.27Å; E593-R694 WeakPolarHBondContact OE2-CD 3.34Å; E593-R694 IonicContact OE2-NH1 3.59Å
594I92.9Very high95.5Very high6 Ų651.2 Ų51.23%0.03125%0.253CS..Hα-helixtrans-106.6-8.1-172.571.1178.2000113.7L590 S591 H596 T597 M600 M625 P648 I677 L717 L721L590-I594 PolarHBondContact O-N 3.04Å; S591-I594 PolarHBondContact O-N 3.01Å; I594-H596 PolarHBondContact O-N 3.2Å; I594-T597 PolarHBondContact O-N 3.48Å; I594-T597 PolarHBondContact O-OG1 3.49Å; I594-M600 HydrophobicContact CD1-SD 3.86Å; I594-M625 WeakPolarHBondContact O-CE 3.35Å; I594-P648 HydrophobicContact CB-CB 4.34Å; I594-P648 HydrophobicContact CB-CG 4.28Å; I594-P648 HydrophobicContact CG2-CB 3.99Å; I594-P648 HydrophobicContact CG2-CG 4.18Å; I594-I677 HydrophobicContact CG2-CD1 4.34Å; I594-L717 HydrophobicContact CD1-CD1 3.79Å; I594-L717 HydrophobicContact CD1-CD2 4.42Å; I594-L717 HydrophobicContact CD1-CG 4.42Å; I594-L721 HydrophobicContact CD1-CD1 4.14Å; I594-L721 HydrophobicContact CD1-CD2 4.06Å; I594-L721 HydrophobicContact CG1-CD2 3.57Å
595C92Very high95.4Very high11 Ų1152 Ų527%0.07425%0.254CS..THydrogen-bonded Turntrans-59.9-24.2-173.463.30000114.4S591 K592 L721 L724 N725S591-C595 VanDerWaalsContact O-CB 3.28Å; S591-C595 WeakPolarHBondContact O-CB 3.32Å; S591-C595 PolarHBondContact O-N 3.13Å; K592-C595 PolarHBondContact O-SG 3.17Å; K592-C595 VanDerWaalsContact O-SG 3.36Å; C595-L721 HydrophobicContact CB-CD2 4Å; C595-L724 HydrophobicContact CB-CB 4.16Å; C595-L724 HydrophobicContact CB-CD1 4.17Å; C595-N725 PolarHBondContact O-ND2 3.33Å; C595-N725 PolarHBondContact O-OD1 2.77Å
596H91.1Very high95.3Very high165 Ų16548.1 Ų48.176%0.76424%0.24SC*.THydrogen-bonded Turntrans-84.4-9.7-179.6-58.8-50.5000114.2I594I594-H596 PolarHBondContact O-N 3.2Å
597T91.4Very high95.4Very high44 Ų4444.8 Ų44.827%0.2722%0.219SC..  trans-79.9157.6-177.969.40000111.8I594 S599 M625 P648I594-T597 PolarHBondContact O-N 3.48Å; I594-T597 PolarHBondContact O-OG1 3.49Å; T597-S599 PolarHBondContact OG1-O 2.81Å; T597-M625 WeakPolarHBondContact O-CE 3.39Å; T597-M625 WeakPolarHBondContact OG1-CE 3.4Å; T597-P648 HydrophobicContact CG2-CG 3.46Å; T597-P648 VanDerWaalsContact CG2-CG 3.46Å
598K93Very high95.4Very high181 Ų18144.9 Ų44.979%0.78722%0.22SC*.SBendtrans-93-26.9178.9-66.4-177.8-179.7176.10113M625 H626K598-M625 WeakPolarHBondContact O-CG 3.29Å; K598-H626 PolarHBondContact O-N 2.89Å
599S95.8Very high95.4Very high46 Ų4643.3 Ų43.332%0.32222%0.215SC..EExtended strand (participates in β ladder)trans-133.8153-174.9-55.80000111.1T597 H626 P648T597-S599 PolarHBondContact OG1-O 2.81Å; S599-H626 CarbonylContact C-O 3.51Å; S599-H626 WeakPolarHBondContact CA-O 2.86Å; S599-P648 WeakPolarHBondContact O-CD 3.26Å
600M95.7Very high95.5Very high2 Ų239.4 Ų39.41%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-148.1144172.6179.8171.975.700110I594 V602 V619 M625 H626 C627 E628 P648 V650 L717I594-M600 HydrophobicContact CD1-SD 3.86Å; M600-V602 HydrophobicContact CE-CG2 4.01Å; M600-V619 HydrophobicContact CE-CB 4.28Å; M600-V619 HydrophobicContact CE-CG1 4.03Å; M600-V619 HydrophobicContact CE-CG2 3.56Å; M600-M625 HydrophobicContact CB-SD 3.68Å; M600-H626 PolarHBondContact N-O 3.36Å; M600-C627 WeakPolarHBondContact CE-SG 3.45Å; M600-C627 VanDerWaalsContact O-CA 3.32Å; M600-C627 WeakPolarHBondContact O-CA 3.44Å; M600-E628 PolarHBondContact O-N 2.82Å; M600-P648 WeakPolarHBondContact CA-O 3.32Å; M600-P648 HydrophobicContact CB-CB 4.42Å; M600-P648 HydrophobicContact CG-CB 4.15Å; M600-P648 WeakPolarHBondContact CG-O 3.39Å; M600-V650 HydrophobicContact CG-CG2 4.47Å; M600-V650 HydrophobicContact SD-CG2 3.78Å; M600-L717 HydrophobicContact CE-CD2 4.15Å; M600-L717 HydrophobicContact SD-CD2 4.33Å
601L97.2Very high95.6Very high11 Ų1138.8 Ų38.86%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-108.6139.6171.1-59.4-178.3000110.4M603 E628 I630 M642 L647 P648 I649 V650L601-M603 HydrophobicContact CB-CE 3.98Å; L601-M603 HydrophobicContact CD1-CE 3.77Å; L601-E628 HydrophobicContact CD2-CB 4.01Å; L601-I630 HydrophobicContact CB-CD1 4.47Å; L601-I630 HydrophobicContact CD1-CD1 3.97Å; L601-I630 HydrophobicContact CD2-CD1 3.79Å; L601-I630 HydrophobicContact CG-CD1 4.29Å; L601-M642 HydrophobicContact CD1-CB 4.24Å; L601-L647 HydrophobicContact CD1-CD2 3.56Å; L601-L647 HydrophobicContact CG-CD2 3.82Å; L601-L647 HydrophobicContact CG-CG 4.43Å; L601-P648 PolarHBondContact N-O 3.08Å; L601-I649 HydrophobicContact CB-CG1 4.39Å; L601-I649 CarbonylContact O-C 3.47Å; L601-I649 WeakPolarHBondContact O-CA 3.4Å; L601-V650 PolarHBondContact O-N 3.23Å
602V97.7Very high95.7Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-119.4126172.8-171.80000108.7M600 C612 A615 E628 G629 I630 V650M600-V602 HydrophobicContact CE-CG2 4.01Å; V602-C612 HydrophobicContact CB-CB 4.37Å; V602-C612 HydrophobicContact CG1-CB 3.92Å; V602-A615 HydrophobicContact CG1-CB 4.17Å; V602-A615 HydrophobicContact CG2-CB 4.38Å; V602-E628 PolarHBondContact N-O 3.18Å; V602-G629 CarbonylContact O-C 3.46Å; V602-G629 WeakPolarHBondContact O-CA 3.22Å; V602-I630 PolarHBondContact O-N 2.87Å; V602-V650 CarbonylContact C-O 3.49Å; V602-V650 WeakPolarHBondContact CA-O 3.43Å; V602-V650 HydrophobicContact CG1-CB 4.36Å; V602-V650 HydrophobicContact CG2-CB 4.36Å
603M97.9Very high95.8Very high1 Ų135.6 Ų35.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-125.6136.9-171-55175.5-18000112.3L601 I630 L635 V643 I649 V650 M651 V652 V669L601-M603 HydrophobicContact CB-CE 3.98Å; L601-M603 HydrophobicContact CD1-CE 3.77Å; M603-I630 WeakPolarHBondContact CA-O 3.01Å; M603-I630 HydrophobicContact CG-CB 4.48Å; M603-L635 HydrophobicContact CE-CD2 3.49Å; M603-L635 VanDerWaalsContact CE-CD2 3.49Å; M603-L635 HydrophobicContact CG-CD2 4.38Å; M603-L635 HydrophobicContact SD-CD1 3.84Å; M603-L635 HydrophobicContact SD-CD2 3.58Å; M603-L635 VanDerWaalsContact SD-CD2 3.58Å; M603-L635 HydrophobicContact SD-CG 4.31Å; M603-V643 HydrophobicContact CE-CG2 4.14Å; M603-I649 HydrophobicContact CE-CD1 4.36Å; M603-I649 HydrophobicContact CE-CG1 4.48Å; M603-I649 HydrophobicContact CE-CG2 3.88Å; M603-I649 HydrophobicContact CG-CG2 4.35Å; M603-I649 HydrophobicContact SD-CG2 3.84Å; M603-V650 PolarHBondContact N-O 3.3Å; M603-M651 HydrophobicContact CB-CE 4.44Å; M603-M651 HydrophobicContact CB-CG 4.19Å; M603-M651 WeakPolarHBondContact O-CA 3.18Å; M603-M651 HydrophobicContact SD-CE 4.48Å; M603-M651 HydrophobicContact SD-CG 4.41Å; M603-M651 HydrophobicContact SD-SD 4.48Å; M603-V652 PolarHBondContact O-N 3.26Å; M603-V669 HydrophobicContact CE-CG2 4.37Å; M603-V669 HydrophobicContact SD-CG2 3.86Å
604G97.3Very high96Very high1 Ų130.2 Ų30.21%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-170.3173.7179.700000111.5C612 I630 M631 S632G604-C612 WeakPolarHBondContact CA-SG 3.19Å; G604-C612 PolarHBondContact N-SG 3.42Å; G604-I630 PolarHBondContact N-O 3.47Å; G604-M631 CarbonylContact O-C 3.33Å; G604-M631 WeakPolarHBondContact O-CA 3.38Å; G604-S632 PolarHBondContact O-N 2.9Å
605R95.5Very high96.3Very high45 Ų4530 Ų3017%0.1715%0.152CC..  trans-153.2166.3-176.757.2177-57.7142.63.3111.2N608 S632 V658 S662R605-N608 PolarHBondContact O-N 3.24Å; R605-S632 WeakPolarHBondContact CB-OG 3.47Å; R605-S632 WeakPolarHBondContact CD-OG 3.35Å; R605-S632 WeakPolarHBondContact CG-OG 3.26Å; R605-V658 HydrophobicContact CG-CB 4.26Å; R605-V658 HydrophobicContact CG-CG2 3.84Å; R605-V658 VanDerWaalsContact NE-CB 3.34Å; R605-S662 WeakPolarHBondContact CD-OG 3.41Å; R605-S662 VanDerWaalsContact CG-OG 3.26Å; R605-S662 WeakPolarHBondContact CG-OG 3.5Å
606G95.7Very high96.6Very high26 Ų2629.5 Ų29.527%0.26815%0.15SC..G310 helixtrans59.7-135.5-175.500000110.8N608 F609G606-N608 PolarHBondContact O-N 2.75Å; G606-F609 WeakPolarHBondContact O-CB 3.3Å; G606-F609 PolarHBondContact O-N 3.45Å
607Y97.2Very high96.9Very high4 Ų423.1 Ų23.12%0.01612%0.121CC..G310 helixtrans-55.8-24.7177.5-72-68000114.3Q446 I447 E450 D703 C704 N707Q446-Y607 HydrophobicContact CB-CD1 4.23Å; Q446-Y607 HydrophobicContact CB-CE1 3.65Å; Q446-Y607 HydrophobicContact CG-CE1 3.77Å; Q446-Y607 HydrophobicContact CG-CE2 4.4Å; I447-Y607 HydrophobicContact CB-CE1 4.22Å; E450-Y607 PolarHBondContact OE2-OH 3.44Å; Y607-D703 HydrophobicContact CD2-CB 4.13Å; Y607-D703 HydrophobicContact CE2-CB 4.13Å; Y607-C704 HydrophobicContact CD1-CB 4.27Å; Y607-C704 HydrophobicContact CE1-CB 3.62Å; Y607-C704 HydrophobicContact CE2-CB 4.18Å; Y607-N707 WeakPolarHBondContact O-CB 3.04Å; Y607-N707 PolarHBondContact O-ND2 2.65Å
608N97.8Very high97.2Very high3 Ų321.1 Ų21.12%0.01611%0.108CC..G310 helixtrans-91.62.8179.8-70.6-68.5000114.3R605 G606 T611 C612 V652 C654 T710R605-N608 PolarHBondContact O-N 3.24Å; G606-N608 PolarHBondContact O-N 2.75Å; N608-T611 WeakPolarHBondContact O-CB 3.29Å; N608-T611 PolarHBondContact O-N 2.88Å; N608-C612 PolarHBondContact O-N 3Å; N608-C612 PolarHBondContact O-SG 2.89Å; N608-V652 HydrophobicContact CB-CB 4.18Å; N608-V652 HydrophobicContact CB-CG1 3.82Å; N608-V652 VanDerWaalsContact CG-CG1 3.49Å; N608-V652 WeakPolarHBondContact OD1-CG1 3.35Å; N608-C654 PolarHBondContact ND2-SG 2.82Å; N608-T710 PolarHBondContact OD1-OG1 3.34Å
609F98Very high97.3Very high50 Ų5012.5 Ų12.522%0.2197%0.071CC..Hα-helixtrans-64-46.7173.3174.9-126.7000111.2V442 G606 T611 C612 L613 M631V442-F609 HydrophobicContact CG1-CD1 4.16Å; V442-F609 HydrophobicContact CG1-CE1 4.47Å; G606-F609 WeakPolarHBondContact O-CB 3.3Å; G606-F609 PolarHBondContact O-N 3.45Å; F609-T611 VanDerWaalsContact C-N 3.29Å; F609-T611 PolarHBondContact O-N 2.99Å; F609-C612 WeakPolarHBondContact O-CB 3.39Å; F609-C612 PolarHBondContact O-N 2.95Å; F609-L613 HydrophobicContact CD1-CD1 4.31Å; F609-L613 HydrophobicContact CD2-CG 4.46Å; F609-L613 HydrophobicContact CE1-CD1 3.77Å; F609-L613 HydrophobicContact CE1-CG 4.42Å; F609-L613 HydrophobicContact CE2-CD1 4.23Å; F609-L613 HydrophobicContact CE2-CD2 3.91Å; F609-L613 HydrophobicContact CE2-CG 4.01Å; F609-L613 HydrophobicContact CZ-CD1 3.73Å; F609-L613 HydrophobicContact CZ-CD2 3.95Å; F609-L613 HydrophobicContact CZ-CG 4Å; F609-L613 PolarHBondContact O-N 2.8Å; F609-M631 HydrophobicContact CB-CE 4.36Å; F609-M631 HydrophobicContact CD1-CE 3.58Å; F609-M631 HydrophobicContact CD2-CB 3.77Å; F609-M631 HydrophobicContact CD2-CE 3.95Å; F609-M631 HydrophobicContact CD2-CG 4.21Å; F609-M631 HydrophobicContact CE1-CE 3.74Å; F609-M631 HydrophobicContact CE2-CB 3.7Å; F609-M631 HydrophobicContact CE2-CE 4.12Å; F609-M631 HydrophobicContact CG-CE 3.68Å; F609-M631 HydrophobicContact CZ-CB 4.45Å; F609-M631 HydrophobicContact CZ-CE 4.01Å
610A97.9Very high97.3Very high2 Ų214.8 Ų14.82%0.0178%0.075CC..Hα-helixtrans-60.3-38.2175.400000112.5V442 A443 C612 L613 E614V442-A610 HydrophobicContact CB-CB 4.15Å; V442-A610 HydrophobicContact CG1-CB 4.01Å; A443-A610 HydrophobicContact CB-CB 3.52Å; A610-C612 PolarHBondContact O-N 2.89Å; A610-L613 PolarHBondContact O-N 3.38Å; A610-E614 WeakPolarHBondContact O-CB 3.35Å; A610-E614 PolarHBondContact O-N 3.44Å
611T98.3Very high97.2Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-54.9-39.5173.1-55.40000111.9N608 F609 A615 V652 N707 I711 L714N608-T611 WeakPolarHBondContact O-CB 3.29Å; N608-T611 PolarHBondContact O-N 2.88Å; F609-T611 VanDerWaalsContact C-N 3.29Å; F609-T611 PolarHBondContact O-N 2.99Å; T611-A615 VanDerWaalsContact O-CB 3.25Å; T611-A615 WeakPolarHBondContact O-CB 3.49Å; T611-A615 PolarHBondContact O-N 3.1Å; T611-V652 HydrophobicContact CG2-CG2 4.38Å; T611-N707 WeakPolarHBondContact OG1-CB 3.37Å; T611-I711 HydrophobicContact CG2-CB 4.17Å; T611-I711 HydrophobicContact CG2-CD1 3.97Å; T611-L714 HydrophobicContact CG2-CD1 3.59Å
612C98.1Very high97Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-72.6-42179.9-59.80000112.4V602 G604 N608 F609 A610 E614 A616V602-C612 HydrophobicContact CB-CB 4.37Å; V602-C612 HydrophobicContact CG1-CB 3.92Å; G604-C612 WeakPolarHBondContact CA-SG 3.19Å; G604-C612 PolarHBondContact N-SG 3.42Å; N608-C612 PolarHBondContact O-N 3Å; N608-C612 PolarHBondContact O-SG 2.89Å; F609-C612 WeakPolarHBondContact O-CB 3.39Å; F609-C612 PolarHBondContact O-N 2.95Å; A610-C612 PolarHBondContact O-N 2.89Å; C612-E614 VanDerWaalsContact C-N 3.34Å; C612-A616 WeakPolarHBondContact O-CB 3.2Å; C612-A616 PolarHBondContact O-N 3.24Å
613L98.2Very high96.8Very high36 Ų3616.2 Ų16.219%0.1888%0.082CC..Hα-helixtrans-61.6-44.1175.3-62.1179.6000111.2H439 F609 A610 A616 L617H439-L613 PolarHBondContact CE1-O 2.84Å; F609-L613 HydrophobicContact CD1-CD1 4.31Å; F609-L613 HydrophobicContact CD2-CG 4.46Å; F609-L613 HydrophobicContact CE1-CD1 3.77Å; F609-L613 HydrophobicContact CE1-CG 4.42Å; F609-L613 HydrophobicContact CE2-CD1 4.23Å; F609-L613 HydrophobicContact CE2-CD2 3.91Å; F609-L613 HydrophobicContact CE2-CG 4.01Å; F609-L613 HydrophobicContact CZ-CD1 3.73Å; F609-L613 HydrophobicContact CZ-CD2 3.95Å; F609-L613 HydrophobicContact CZ-CG 4Å; F609-L613 PolarHBondContact O-N 2.8Å; A610-L613 PolarHBondContact O-N 3.38Å; L613-A616 PolarHBondContact O-N 3.09Å; L613-L617 PolarHBondContact O-N 3.11Å
614E98.5Very high96.5Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-67.2-45.4179.2179.756-161.200112.1T436 H439 Y538 A610 C612 A616 L617 K618 I711T436-E614 WeakPolarHBondContact CA-OE2 3.29Å; T436-E614 WeakPolarHBondContact CB-OE2 3.18Å; T436-E614 VanDerWaalsContact CG2-CD 3.46Å; T436-E614 VanDerWaalsContact CG2-OE1 3.25Å; T436-E614 WeakPolarHBondContact CG2-OE1 3.22Å; T436-E614 WeakPolarHBondContact CG2-OE2 3.22Å; T436-E614 PolarHBondContact OG1-OE1 3.09Å; T436-E614 PolarHBondContact OG1-OE2 2.77Å; H439-E614 HydrophobicContact CB-CB 4.24Å; H439-E614 IonicContact CE1-OE2 2.68Å; H439-E614 IonicContact CG-OE2 3.24Å; H439-E614 WeakPolarHBondContact ND1-CA 3.17Å; H439-E614 IonicContact ND1-OE2 2.62Å; H439-E614 PolarHBondContact ND1-OE2 2.65Å; Y538-E614 HydrophobicContact CD1-CG 4.47Å; Y538-E614 HydrophobicContact CD2-CG 4.23Å; Y538-E614 HydrophobicContact CE1-CG 4.3Å; Y538-E614 HydrophobicContact CE2-CB 4.14Å; Y538-E614 HydrophobicContact CE2-CG 4.02Å; Y538-E614 HydrophobicContact CG-CG 4.43Å; A610-E614 WeakPolarHBondContact O-CB 3.35Å; A610-E614 PolarHBondContact O-N 3.44Å; C612-E614 VanDerWaalsContact C-N 3.34Å; E614-A616 VanDerWaalsContact C-N 3.31Å; E614-A616 PolarHBondContact O-N 3.48Å; E614-L617 WeakPolarHBondContact O-CB 3.28Å; E614-L617 PolarHBondContact O-N 2.87Å; E614-L617 VanDerWaalsContact O-N 3.12Å; E614-K618 HydrophobicContact CG-CG 4.49Å; E614-K618 WeakPolarHBondContact O-CG 3.43Å; E614-K618 PolarHBondContact O-N 2.96Å; E614-K618 VanDerWaalsContact OE1-CD 3.26Å; E614-K618 WeakPolarHBondContact OE1-CD 3.44Å; E614-K618 WeakPolarHBondContact OE1-CE 3.22Å; E614-K618 WeakPolarHBondContact OE1-CG 3.37Å; E614-K618 IonicContact OE1-NZ 3.53Å; E614-K618 PolarHBondContact OE1-NZ 3.48Å; E614-I711 HydrophobicContact CB-CD1 3.96Å; E614-I711 HydrophobicContact CG-CD1 3.78Å; E614-I711 HydrophobicContact CG-CG1 4.33Å
615A97.8Very high96.3Very high1 Ų119.1 Ų19.11%0.0089%0.093CC..Hα-helixtrans-58.4-44.5175.200000112V602 T611 L617 K618 V619 L714V602-A615 HydrophobicContact CG1-CB 4.17Å; V602-A615 HydrophobicContact CG2-CB 4.38Å; T611-A615 VanDerWaalsContact O-CB 3.25Å; T611-A615 WeakPolarHBondContact O-CB 3.49Å; T611-A615 PolarHBondContact O-N 3.1Å; A615-L617 VanDerWaalsContact C-N 3.29Å; A615-L617 PolarHBondContact O-N 3.33Å; A615-K618 PolarHBondContact O-N 2.86Å; A615-V619 VanDerWaalsContact O-CG2 3.26Å; A615-V619 WeakPolarHBondContact O-CG2 3.26Å; A615-V619 PolarHBondContact O-N 3.24Å; A615-L714 HydrophobicContact CB-CB 3.69Å; A615-L714 HydrophobicContact CB-CD1 3.6Å; A615-L714 HydrophobicContact CB-CD2 4.05Å; A615-L714 HydrophobicContact CB-CG 3.96Å
616A98Very high96.3Very high2 Ų222.4 Ų22.42%0.01711%0.11CC..Hα-helixtrans-61-39.2176.200000112.3C612 L613 E614 K620 C627 G629C612-A616 WeakPolarHBondContact O-CB 3.2Å; C612-A616 PolarHBondContact O-N 3.24Å; L613-A616 PolarHBondContact O-N 3.09Å; E614-A616 VanDerWaalsContact C-N 3.31Å; E614-A616 PolarHBondContact O-N 3.48Å; A616-K620 WeakPolarHBondContact O-CB 3.29Å; A616-K620 VanDerWaalsContact O-CE 3.22Å; A616-K620 WeakPolarHBondContact O-CE 3.41Å; A616-K620 WeakPolarHBondContact O-CG 3.48Å; A616-K620 PolarHBondContact O-N 2.69Å; A616-K620 VanDerWaalsContact O-N 3.14Å; A616-C627 HydrophobicContact CB-CB 4.3Å; A616-G629 VanDerWaalsContact CB-N 3.3Å
617L97.8Very high96.4Very high31 Ų3121.1 Ų21.116%0.16210%0.098CC..Hα-helixtrans-64.9-48.9174.8-17860.4000111.9L613 E614 A615 V619 K620 E621L613-L617 PolarHBondContact O-N 3.11Å; E614-L617 WeakPolarHBondContact O-CB 3.28Å; E614-L617 PolarHBondContact O-N 2.87Å; E614-L617 VanDerWaalsContact O-N 3.12Å; A615-L617 VanDerWaalsContact C-N 3.29Å; A615-L617 PolarHBondContact O-N 3.33Å; L617-V619 PolarHBondContact O-N 3.03Å; L617-K620 PolarHBondContact O-N 3.27Å; L617-E621 HydrophobicContact CD1-CG 4.03Å; L617-E621 WeakPolarHBondContact CD1-OE1 3.46Å; L617-E621 HydrophobicContact CG-CG 4.31Å; L617-E621 WeakPolarHBondContact CG-OE1 3.19Å; L617-E621 WeakPolarHBondContact O-CB 3.25Å; L617-E621 WeakPolarHBondContact O-CG 3.35Å; L617-E621 PolarHBondContact O-N 3.17Å
618K97.1Very high96.4Very high1 Ų125.6 Ų25.60%0.00412%0.119CC..Hα-helixtrans-59.6-44.2179-65.9-51.386.7166.30112.7T436 A533 E614 A615 K620 E621 L622 S718T436-K618 PolarHBondContact OG1-NZ 3.04Å; A533-K618 HydrophobicContact CB-CD 4.06Å; E614-K618 HydrophobicContact CG-CG 4.49Å; E614-K618 WeakPolarHBondContact O-CG 3.43Å; E614-K618 PolarHBondContact O-N 2.96Å; E614-K618 VanDerWaalsContact OE1-CD 3.26Å; E614-K618 WeakPolarHBondContact OE1-CD 3.44Å; E614-K618 WeakPolarHBondContact OE1-CE 3.22Å; E614-K618 WeakPolarHBondContact OE1-CG 3.37Å; E614-K618 IonicContact OE1-NZ 3.53Å; E614-K618 PolarHBondContact OE1-NZ 3.48Å; A615-K618 PolarHBondContact O-N 2.86Å; K618-K620 PolarHBondContact O-N 3.31Å; K618-E621 WeakPolarHBondContact CE-OE2 3.49Å; K618-E621 IonicContact NZ-OE1 3.31Å; K618-E621 IonicContact NZ-OE2 3.79Å; K618-E621 PolarHBondContact NZ-OE2 3.15Å; K618-E621 PolarHBondContact O-N 2.96Å; K618-L622 HydrophobicContact CB-CD1 4.35Å; K618-L622 WeakPolarHBondContact O-CB 3.31Å; K618-L622 WeakPolarHBondContact O-CD1 3.42Å; K618-L622 WeakPolarHBondContact O-CG 3.44Å; K618-L622 PolarHBondContact O-N 3.09Å; K618-S718 WeakPolarHBondContact CB-OG 3.49Å
619V96.4Very high96.4Very high1 Ų126.1 Ų26.11%0.00612%0.124CC..Hα-helixtrans-62.1-44.8177.9174.50000110.5M600 A615 L617 S623 Y624 M625 C627 S718 L721M600-V619 HydrophobicContact CE-CB 4.28Å; M600-V619 HydrophobicContact CE-CG1 4.03Å; M600-V619 HydrophobicContact CE-CG2 3.56Å; A615-V619 VanDerWaalsContact O-CG2 3.26Å; A615-V619 WeakPolarHBondContact O-CG2 3.26Å; A615-V619 PolarHBondContact O-N 3.24Å; L617-V619 PolarHBondContact O-N 3.03Å; V619-S623 WeakPolarHBondContact CG1-OG 3.39Å; V619-S623 WeakPolarHBondContact O-CB 3.46Å; V619-S623 PolarHBondContact O-N 3.47Å; V619-S623 PolarHBondContact O-OG 2.73Å; V619-Y624 PolarHBondContact O-N 2.87Å; V619-M625 HydrophobicContact CG1-CB 3.95Å; V619-M625 HydrophobicContact CG1-CG 4.49Å; V619-M625 HydrophobicContact CG1-SD 4.25Å; V619-C627 HydrophobicContact CB-CB 3.68Å; V619-C627 HydrophobicContact CG1-CB 3.59Å; V619-S718 WeakPolarHBondContact CG2-OG 3.32Å; V619-L721 HydrophobicContact CG1-CD1 4.4Å
620K95.4Very high96.3Very high94 Ų9424.2 Ų24.241%0.40912%0.116SC..Hα-helixtrans-61.2-47.3176.6-78.9-176.6-68.6-172.70112.2A616 L617 K618 L622 Y624 C627A616-K620 WeakPolarHBondContact O-CB 3.29Å; A616-K620 VanDerWaalsContact O-CE 3.22Å; A616-K620 WeakPolarHBondContact O-CE 3.41Å; A616-K620 WeakPolarHBondContact O-CG 3.48Å; A616-K620 PolarHBondContact O-N 2.69Å; A616-K620 VanDerWaalsContact O-N 3.14Å; L617-K620 PolarHBondContact O-N 3.27Å; K618-K620 PolarHBondContact O-N 3.31Å; K620-L622 PolarHBondContact O-N 2.99Å; K620-Y624 WeakPolarHBondContact O-CA 3.49Å; K620-Y624 PolarHBondContact O-N 2.86Å; K620-C627 VanDerWaalsContact CD-O 3.25Å; K620-C627 WeakPolarHBondContact CD-O 3.09Å; K620-C627 VanDerWaalsContact CE-O 3.24Å; K620-C627 WeakPolarHBondContact CE-O 3.06Å; K620-C627 HydrophobicContact CG-CB 4.22Å
621E93.7Very high96.3Very high38 Ų3827.7 Ų27.718%0.17813%0.133CC..Hα-helixtrans-63-40.9-177.9-74.7178.8176.500112.3A533 L617 K618 Y624 P732 L735A533-E621 WeakPolarHBondContact CB-OE2 3.22Å; L617-E621 HydrophobicContact CD1-CG 4.03Å; L617-E621 WeakPolarHBondContact CD1-OE1 3.46Å; L617-E621 HydrophobicContact CG-CG 4.31Å; L617-E621 WeakPolarHBondContact CG-OE1 3.19Å; L617-E621 WeakPolarHBondContact O-CB 3.25Å; L617-E621 WeakPolarHBondContact O-CG 3.35Å; L617-E621 PolarHBondContact O-N 3.17Å; K618-E621 WeakPolarHBondContact CE-OE2 3.49Å; K618-E621 IonicContact NZ-OE1 3.31Å; K618-E621 IonicContact NZ-OE2 3.79Å; K618-E621 PolarHBondContact NZ-OE2 3.15Å; K618-E621 PolarHBondContact O-N 2.96Å; E621-Y624 VanDerWaalsContact O-CE1 3.25Å; E621-Y624 WeakPolarHBondContact O-CE1 3.3Å; E621-P732 WeakPolarHBondContact O-CB 3.45Å; E621-L735 HydrophobicContact CB-CD1 4.09Å; E621-L735 HydrophobicContact CG-CD1 3.84Å
622L93.7Very high96.1Very high0 Ų027.9 Ų27.90%014%0.135CC..Hα-helixtrans-101-45.1-166.2-61.9163000113.5M385 A533 K618 K620 A722 R727 V729M385-L622 HydrophobicContact CE-CD1 3.28Å; M385-L622 HydrophobicContact SD-CD1 3.33Å; M385-L622 WeakPolarHBondContact SD-CD1 3.48Å; M385-L622 HydrophobicContact SD-CD2 3.72Å; M385-L622 HydrophobicContact SD-CG 4.17Å; A533-L622 HydrophobicContact CB-CD1 4.13Å; A533-L622 HydrophobicContact CB-CD2 3.89Å; A533-L622 HydrophobicContact CB-CG 4.18Å; K618-L622 HydrophobicContact CB-CD1 4.35Å; K618-L622 WeakPolarHBondContact O-CB 3.31Å; K618-L622 WeakPolarHBondContact O-CD1 3.42Å; K618-L622 WeakPolarHBondContact O-CG 3.44Å; K618-L622 PolarHBondContact O-N 3.09Å; K620-L622 PolarHBondContact O-N 2.99Å; L622-A722 HydrophobicContact CB-CB 3.87Å; L622-A722 WeakPolarHBondContact O-CB 3.49Å; L622-R727 WeakPolarHBondContact O-CB 3.36Å; L622-V729 HydrophobicContact CD2-CB 4.44Å; L622-V729 VanDerWaalsContact CD2-O 3.31Å; L622-V729 WeakPolarHBondContact CD2-O 3.13Å
623S92.2Very high96Very high4 Ų429.2 Ų29.23%0.02815%0.149CC..Hα-helixtrans-92.4-20.2-175.777.50000112.9V619 M625V619-S623 WeakPolarHBondContact CG1-OG 3.39Å; V619-S623 WeakPolarHBondContact O-CB 3.46Å; V619-S623 PolarHBondContact O-N 3.47Å; V619-S623 PolarHBondContact O-OG 2.73Å; S623-M625 PolarHBondContact O-N 2.79Å; S623-M625 VanDerWaalsContact OG-CB 3.24Å; S623-M625 WeakPolarHBondContact OG-CB 3.39Å; S623-M625 PolarHBondContact OG-N 2.97Å; S623-M625 VanDerWaalsContact OG-N 3.16Å
624Y92Very high95.9Very high55 Ų5532.1 Ų32.122%0.21616%0.161CC..  trans62.314.8-170.2-40.8-45.2000114.8V619 K620 E621 R727 P732 R733V619-Y624 PolarHBondContact O-N 2.87Å; K620-Y624 WeakPolarHBondContact O-CA 3.49Å; K620-Y624 PolarHBondContact O-N 2.86Å; E621-Y624 VanDerWaalsContact O-CE1 3.25Å; E621-Y624 WeakPolarHBondContact O-CE1 3.3Å; Y624-R727 HydrophobicContact CD2-CG 4.23Å; Y624-R727 HydrophobicContact CE2-CB 4.41Å; Y624-R727 HydrophobicContact CE2-CG 3.97Å; Y624-P732 HydrophobicContact CE1-CB 4.39Å; Y624-R733 HydrophobicContact CD1-CG 4.34Å; Y624-R733 HydrophobicContact CE1-CB 4.5Å; Y624-R733 HydrophobicContact CE1-CG 3.6Å; Y624-R733 HydrophobicContact CE2-CG 4.07Å; Y624-R733 VanDerWaalsContact CZ-CG 3.46Å; Y624-R733 WeakPolarHBondContact OH-CG 3.22Å; Y624-R733 PolarHBondContact OH-N 3.28Å
625M92.9Very high95.7Very high8 Ų832.1 Ų32.14%0.03916%0.161CC..  trans-72.1140.8167.7-173.8-172-69.400109.1I594 T597 K598 M600 V619 S623 C627 L721I594-M625 WeakPolarHBondContact O-CE 3.35Å; T597-M625 WeakPolarHBondContact O-CE 3.39Å; T597-M625 WeakPolarHBondContact OG1-CE 3.4Å; K598-M625 WeakPolarHBondContact O-CG 3.29Å; M600-M625 HydrophobicContact CB-SD 3.68Å; V619-M625 HydrophobicContact CG1-CB 3.95Å; V619-M625 HydrophobicContact CG1-CG 4.49Å; V619-M625 HydrophobicContact CG1-SD 4.25Å; S623-M625 PolarHBondContact O-N 2.79Å; S623-M625 VanDerWaalsContact OG-CB 3.24Å; S623-M625 WeakPolarHBondContact OG-CB 3.39Å; S623-M625 PolarHBondContact OG-N 2.97Å; S623-M625 VanDerWaalsContact OG-N 3.16Å; M625-C627 PolarHBondContact O-N 3.35Å; M625-C627 VanDerWaalsContact O-N 3.07Å; M625-L721 HydrophobicContact CE-CD1 4.39Å; M625-L721 HydrophobicContact CE-CD2 4.32Å
626H96.3Very high95.4Very high114 Ų11438.9 Ų38.953%0.52819%0.19SC..EExtended strand (participates in β ladder)trans-70.1106.9172.8179.6-166.7000108.8K598 S599 M600K598-H626 PolarHBondContact O-N 2.89Å; S599-H626 CarbonylContact C-O 3.51Å; S599-H626 WeakPolarHBondContact CA-O 2.86Å; M600-H626 PolarHBondContact N-O 3.36Å
627C96.8Very high95.3Very high0 Ų044.7 Ų44.70%022%0.217CC..EExtended strand (participates in β ladder)trans-118.8133.8176.1-1620000111.1M600 A616 V619 K620 M625M600-C627 WeakPolarHBondContact CE-SG 3.45Å; M600-C627 VanDerWaalsContact O-CA 3.32Å; M600-C627 WeakPolarHBondContact O-CA 3.44Å; A616-C627 HydrophobicContact CB-CB 4.3Å; V619-C627 HydrophobicContact CB-CB 3.68Å; V619-C627 HydrophobicContact CG1-CB 3.59Å; K620-C627 VanDerWaalsContact CD-O 3.25Å; K620-C627 WeakPolarHBondContact CD-O 3.09Å; K620-C627 VanDerWaalsContact CE-O 3.24Å; K620-C627 WeakPolarHBondContact CE-O 3.06Å; K620-C627 HydrophobicContact CG-CB 4.22Å; M625-C627 PolarHBondContact O-N 3.35Å; M625-C627 VanDerWaalsContact O-N 3.07Å
628E97.3Very high95.2Very high98 Ų9845.4 Ų45.446%0.45823%0.232SC..EExtended strand (participates in β ladder)trans-124.5134178.6-169177.6178.300110.8M600 L601 V602 I630M600-E628 PolarHBondContact O-N 2.82Å; L601-E628 HydrophobicContact CD2-CB 4.01Å; V602-E628 PolarHBondContact N-O 3.18Å; E628-I630 HydrophobicContact CG-CG1 4.18Å
629G97.3Very high95Very high13 Ų1347.2 Ų47.213%0.13424%0.244CC..EExtended strand (participates in β ladder)trans-97.1115.6176.800000109.6V602 A616V602-G629 CarbonylContact O-C 3.46Å; V602-G629 WeakPolarHBondContact O-CA 3.22Å; A616-G629 VanDerWaalsContact CB-N 3.3Å
630I97.2Very high94.9Very high10 Ų1048.4 Ų48.45%0.05125%0.25CC..EExtended strand (participates in β ladder)trans-113.7133-174.2-64.3164.2000109.8L601 V602 M603 G604 E628 S632 L635 P639L601-I630 HydrophobicContact CB-CD1 4.47Å; L601-I630 HydrophobicContact CD1-CD1 3.97Å; L601-I630 HydrophobicContact CD2-CD1 3.79Å; L601-I630 HydrophobicContact CG-CD1 4.29Å; V602-I630 PolarHBondContact O-N 2.87Å; M603-I630 WeakPolarHBondContact CA-O 3.01Å; M603-I630 HydrophobicContact CG-CB 4.48Å; G604-I630 PolarHBondContact N-O 3.47Å; E628-I630 HydrophobicContact CG-CG1 4.18Å; I630-S632 PolarHBondContact O-N 2.96Å; I630-L635 HydrophobicContact CG2-CD2 3.95Å; I630-P639 HydrophobicContact CD1-CB 3.87Å; I630-P639 HydrophobicContact CG2-CB 4.28Å; I630-P639 HydrophobicContact CG2-CG 4.43Å
631M96.8Very high94.9Very high75 Ų7548.4 Ų48.437%0.36927%0.267SS..EExtended strand (participates in β ladder)trans-67120.7167.7-171.5177.1-68.200108.9G604 F609 G633 E634G604-M631 CarbonylContact O-C 3.33Å; G604-M631 WeakPolarHBondContact O-CA 3.38Å; F609-M631 HydrophobicContact CB-CE 4.36Å; F609-M631 HydrophobicContact CD1-CE 3.58Å; F609-M631 HydrophobicContact CD2-CB 3.77Å; F609-M631 HydrophobicContact CD2-CE 3.95Å; F609-M631 HydrophobicContact CD2-CG 4.21Å; F609-M631 HydrophobicContact CE1-CE 3.74Å; F609-M631 HydrophobicContact CE2-CB 3.7Å; F609-M631 HydrophobicContact CE2-CE 4.12Å; F609-M631 HydrophobicContact CG-CE 3.68Å; F609-M631 HydrophobicContact CZ-CB 4.45Å; F609-M631 HydrophobicContact CZ-CE 4.01Å; M631-G633 PolarHBondContact O-N 2.97Å; M631-E634 HydrophobicContact CB-CG 4.31Å; M631-E634 WeakPolarHBondContact O-CB 3.49Å; M631-E634 PolarHBondContact O-N 3.16Å
632S95.4Very high94.9Very high5 Ų552.4 Ų52.44%0.03529%0.287CS..G310 helixtrans-63.5-18.2-172.2650000114.2G604 R605 I630 E634 L635G604-S632 PolarHBondContact O-N 2.9Å; R605-S632 WeakPolarHBondContact CB-OG 3.47Å; R605-S632 WeakPolarHBondContact CD-OG 3.35Å; R605-S632 WeakPolarHBondContact CG-OG 3.26Å; I630-S632 PolarHBondContact O-N 2.96Å; S632-E634 VanDerWaalsContact C-N 3.3Å; S632-L635 WeakPolarHBondContact O-CD1 3.13Å; S632-L635 WeakPolarHBondContact O-CG 3.23Å
633G94.8Very high95Very high28 Ų2853 Ų5329%0.28929%0.291SS..G310 helixtrans-67.6-26.6170.200000114.3M631M631-G633 PolarHBondContact O-N 2.97Å
634E96.2Very high94.9Very high97 Ų9756.2 Ų56.245%0.45331%0.308SS..G310 helixtrans-86.7-7-176.7-70-58.4108.200113.6M631 S632 K636 H637 P639M631-E634 HydrophobicContact CB-CG 4.31Å; M631-E634 WeakPolarHBondContact O-CB 3.49Å; M631-E634 PolarHBondContact O-N 3.16Å; S632-E634 VanDerWaalsContact C-N 3.3Å; E634-K636 VanDerWaalsContact C-N 3.3Å; E634-K636 PolarHBondContact O-N 3.24Å; E634-H637 WeakPolarHBondContact O-CB 3.42Å; E634-H637 PolarHBondContact O-N 3.08Å; E634-H637 IonicContact OE1-CD2 3.7Å; E634-H637 IonicContact OE2-CD2 3.86Å; E634-P639 WeakPolarHBondContact O-CD 3.16Å
635L93.8Very high94.9Very high0 Ų059.1 Ų59.10%032%0.324CS..G310 helixtrans-51.4-48.5-175.7-71172.4000112.6M603 I630 S632 H637 G638 L640 A665 V669M603-L635 HydrophobicContact CE-CD2 3.49Å; M603-L635 VanDerWaalsContact CE-CD2 3.49Å; M603-L635 HydrophobicContact CG-CD2 4.38Å; M603-L635 HydrophobicContact SD-CD1 3.84Å; M603-L635 HydrophobicContact SD-CD2 3.58Å; M603-L635 VanDerWaalsContact SD-CD2 3.58Å; M603-L635 HydrophobicContact SD-CG 4.31Å; I630-L635 HydrophobicContact CG2-CD2 3.95Å; S632-L635 WeakPolarHBondContact O-CD1 3.13Å; S632-L635 WeakPolarHBondContact O-CG 3.23Å; L635-H637 PolarHBondContact O-N 2.73Å; L635-H637 VanDerWaalsContact O-N 3.12Å; L635-G638 PolarHBondContact O-N 2.88Å; L635-L640 HydrophobicContact CB-CB 4.25Å; L635-L640 WeakPolarHBondContact O-CB 3.43Å; L635-L640 PolarHBondContact O-N 3.16Å; L635-A665 HydrophobicContact CD1-CB 3.97Å; L635-V669 HydrophobicContact CD1-CG2 4.19Å
636K92.5Very high94.8Very high142 Ų14266.8 Ų66.862%0.61736%0.359SS*.G310 helixtrans-67.1-11-178.868.2-179-176.9176.70114.5E634 G638E634-K636 VanDerWaalsContact C-N 3.3Å; E634-K636 PolarHBondContact O-N 3.24Å; K636-G638 VanDerWaalsContact C-N 3.33Å
637H95.3Very high94.7Very high124 Ų12462.6 Ų62.657%0.57434%0.341SS*.G310 helixtrans-9413.1-177.7-63.6-65.3000113E634 L635E634-H637 WeakPolarHBondContact O-CB 3.42Å; E634-H637 PolarHBondContact O-N 3.08Å; E634-H637 IonicContact OE1-CD2 3.7Å; E634-H637 IonicContact OE2-CD2 3.86Å; L635-H637 PolarHBondContact O-N 2.73Å; L635-H637 VanDerWaalsContact O-N 3.12Å
638G95Very high94.6Very high46 Ų4663.4 Ų63.447%0.47435%0.346SS..THydrogen-bonded Turntrans144.6-52.217500000113.7L635 K636 L640 A641L635-G638 PolarHBondContact O-N 2.88Å; K636-G638 VanDerWaalsContact C-N 3.33Å; G638-L640 PolarHBondContact O-N 2.99Å; G638-L640 VanDerWaalsContact O-N 3.07Å; G638-A641 VanDerWaalsContact O-CB 3.32Å; G638-A641 WeakPolarHBondContact O-CB 3.46Å; G638-A641 PolarHBondContact O-N 2.81Å
639P94.4Very high94.6Very high40 Ų4058.8 Ų58.826%0.2632%0.324SS..G310 helixtrans-60.2-24.6-172.3-2633.8000115.5I630 E634 A641 M642I630-P639 HydrophobicContact CD1-CB 3.87Å; I630-P639 HydrophobicContact CG2-CB 4.28Å; I630-P639 HydrophobicContact CG2-CG 4.43Å; E634-P639 WeakPolarHBondContact O-CD 3.16Å; P639-A641 PolarHBondContact O-N 3.23Å; P639-A641 VanDerWaalsContact O-N 3.16Å; P639-M642 WeakPolarHBondContact O-CB 3.34Å; P639-M642 PolarHBondContact O-N 3.29Å; P639-M642 VanDerWaalsContact O-N 3.09Å
640L94.7Very high94.6Very high26 Ų2658.2 Ų58.214%0.13632%0.318CS..G310 helixtrans-59.9-23.5175.6-173.263.7000112.8L635 G638 M642 V643 Q668 R672L635-L640 HydrophobicContact CB-CB 4.25Å; L635-L640 WeakPolarHBondContact O-CB 3.43Å; L635-L640 PolarHBondContact O-N 3.16Å; G638-L640 PolarHBondContact O-N 2.99Å; G638-L640 VanDerWaalsContact O-N 3.07Å; L640-M642 PolarHBondContact O-N 2.88Å; L640-V643 HydrophobicContact CD1-CB 4.29Å; L640-V643 HydrophobicContact CD1-CG2 3.97Å; L640-V643 WeakPolarHBondContact O-CB 3.47Å; L640-V643 PolarHBondContact O-N 2.74Å; L640-V643 VanDerWaalsContact O-N 3.1Å; L640-Q668 HydrophobicContact CD1-CB 4.35Å; L640-Q668 HydrophobicContact CD2-CB 4.33Å; L640-R672 HydrophobicContact CD1-CG 4.35Å; L640-R672 HydrophobicContact CG-CG 4.43Å
641A95.3Very high94.7Very high94 Ų9457.9 Ų57.978%0.77732%0.316SS*.G310 helixtrans-64.3-19.2176.400000113.6G638 P639 V643G638-A641 VanDerWaalsContact O-CB 3.32Å; G638-A641 WeakPolarHBondContact O-CB 3.46Å; G638-A641 PolarHBondContact O-N 2.81Å; P639-A641 PolarHBondContact O-N 3.23Å; P639-A641 VanDerWaalsContact O-N 3.16Å; A641-V643 VanDerWaalsContact C-N 3.35Å
642M93.6Very high94.7Very high121 Ų12154.5 Ų54.560%0.59630%0.3SS*.G310 helixtrans-80.4-17.3175.8-63.6-62.8-63.200112.8L601 P639 L640 D644 L647L601-M642 HydrophobicContact CD1-CB 4.24Å; P639-M642 WeakPolarHBondContact O-CB 3.34Å; P639-M642 PolarHBondContact O-N 3.29Å; P639-M642 VanDerWaalsContact O-N 3.09Å; L640-M642 PolarHBondContact O-N 2.88Å; M642-D644 PolarHBondContact O-N 2.99Å; M642-L647 HydrophobicContact CB-CD2 4.1Å; M642-L647 WeakPolarHBondContact O-CD2 3.41Å
643V94.1Very high94.8Very high12 Ų1254.3 Ų54.37%0.07330%0.298CS..  trans-74.9121.2-174.6176.10000110.3M603 L640 A641 I649 V669 R672M603-V643 HydrophobicContact CE-CG2 4.14Å; L640-V643 HydrophobicContact CD1-CB 4.29Å; L640-V643 HydrophobicContact CD1-CG2 3.97Å; L640-V643 WeakPolarHBondContact O-CB 3.47Å; L640-V643 PolarHBondContact O-N 2.74Å; L640-V643 VanDerWaalsContact O-N 3.1Å; A641-V643 VanDerWaalsContact C-N 3.35Å; V643-I649 HydrophobicContact CB-CD1 4.21Å; V643-I649 HydrophobicContact CG1-CD1 3.69Å; V643-I649 HydrophobicContact CG2-CD1 3.79Å; V643-V669 HydrophobicContact CG1-CG1 3.99Å; V643-R672 HydrophobicContact CB-CB 4.25Å; V643-R672 HydrophobicContact CG1-CB 3.81Å
644D91.9Very high95Very high72 Ų7253.1 Ų53.139%0.38529%0.286SS..  trans-141-173.5171.166.327.6000110.8M642 Q646 L647M642-D644 PolarHBondContact O-N 2.99Å; D644-Q646 VanDerWaalsContact C-N 3.29Å; D644-Q646 PolarHBondContact O-N 3.47Å; D644-Q646 WeakPolarHBondContact OD1-CA 3.41Å; D644-Q646 PolarHBondContact OD1-N 2.86Å; D644-L647 WeakPolarHBondContact OD1-CB 3.14Å; D644-L647 PolarHBondContact OD1-N 3.07Å
645E91.6Very high94.9Very high117 Ų11752.6 Ų52.655%0.54728%0.282SS..SBendtrans-72.2-19.5179.9-170.6171.8-152.400113.6F673 R675E645-F673 HydrophobicContact CB-CB 4.22Å; E645-R675 IonicContact OE1-CZ 3.32Å; E645-R675 VanDerWaalsContact OE1-CZ 3.32Å; E645-R675 IonicContact OE1-NE 3.74Å; E645-R675 IonicContact OE1-NH2 2.68Å; E645-R675 PolarHBondContact OE1-NH2 3.21Å
646Q91.2Very high95Very high169 Ų16953.8 Ų53.879%0.7929%0.288SS*.SBendtrans-96.3-33.6-173.1-61.5-175.43.900113D644 P648D644-Q646 VanDerWaalsContact C-N 3.29Å; D644-Q646 PolarHBondContact O-N 3.47Å; D644-Q646 WeakPolarHBondContact OD1-CA 3.41Å; D644-Q646 PolarHBondContact OD1-N 2.86Å; Q646-P648 VanDerWaalsContact O-CD 3.24Å; Q646-P648 WeakPolarHBondContact O-CD 3.27Å
647L93.5Very high95.2Very high26 Ų2652.8 Ų52.814%0.13629%0.285CS..SBendtrans-68.6119.4-177.2-177.561.5000110.6L601 M642 D644 I649L601-L647 HydrophobicContact CD1-CD2 3.56Å; L601-L647 HydrophobicContact CG-CD2 3.82Å; L601-L647 HydrophobicContact CG-CG 4.43Å; M642-L647 HydrophobicContact CB-CD2 4.1Å; M642-L647 WeakPolarHBondContact O-CD2 3.41Å; D644-L647 WeakPolarHBondContact OD1-CB 3.14Å; D644-L647 PolarHBondContact OD1-N 3.07Å; L647-I649 HydrophobicContact CG-CG1 4.45Å; L647-I649 PolarHBondContact O-N 3.19Å
648P95.4Very high95.2Very high16 Ų1647.2 Ų47.210%0.10426%0.26CS..  trans-65.1129.5171.8-22.635.7000110.9I594 T597 S599 M600 L601 Q646I594-P648 HydrophobicContact CB-CB 4.34Å; I594-P648 HydrophobicContact CB-CG 4.28Å; I594-P648 HydrophobicContact CG2-CB 3.99Å; I594-P648 HydrophobicContact CG2-CG 4.18Å; T597-P648 HydrophobicContact CG2-CG 3.46Å; T597-P648 VanDerWaalsContact CG2-CG 3.46Å; S599-P648 WeakPolarHBondContact O-CD 3.26Å; M600-P648 WeakPolarHBondContact CA-O 3.32Å; M600-P648 HydrophobicContact CB-CB 4.42Å; M600-P648 HydrophobicContact CG-CB 4.15Å; M600-P648 WeakPolarHBondContact CG-O 3.39Å; L601-P648 PolarHBondContact N-O 3.08Å; Q646-P648 VanDerWaalsContact O-CD 3.24Å; Q646-P648 WeakPolarHBondContact O-CD 3.27Å
649I96.9Very high95.3Very high2 Ų245.9 Ų45.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-125.2135.4177.5-60.4168.1000107.6L601 M603 V643 L647 M651 V669 P676 I677L601-I649 HydrophobicContact CB-CG1 4.39Å; L601-I649 CarbonylContact O-C 3.47Å; L601-I649 WeakPolarHBondContact O-CA 3.4Å; M603-I649 HydrophobicContact CE-CD1 4.36Å; M603-I649 HydrophobicContact CE-CG1 4.48Å; M603-I649 HydrophobicContact CE-CG2 3.88Å; M603-I649 HydrophobicContact CG-CG2 4.35Å; M603-I649 HydrophobicContact SD-CG2 3.84Å; V643-I649 HydrophobicContact CB-CD1 4.21Å; V643-I649 HydrophobicContact CG1-CD1 3.69Å; V643-I649 HydrophobicContact CG2-CD1 3.79Å; L647-I649 HydrophobicContact CG-CG1 4.45Å; L647-I649 PolarHBondContact O-N 3.19Å; I649-M651 HydrophobicContact CG2-CG 3.9Å; I649-V669 HydrophobicContact CD1-CG1 3.7Å; I649-P676 HydrophobicContact CB-CB 4.04Å; I649-P676 HydrophobicContact CG2-CB 3.9Å; I649-P676 CarbonylContact O-C 3.59Å; I649-P676 WeakPolarHBondContact O-CA 3.45Å; I649-I677 PolarHBondContact O-N 2.93Å
650V97.6Very high95.4Very high1 Ų148.7 Ų48.71%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-114.6129.9168.6-173.40000108.1M600 L601 V602 M603 I677 I679 L714 L717M600-V650 HydrophobicContact CG-CG2 4.47Å; M600-V650 HydrophobicContact SD-CG2 3.78Å; L601-V650 PolarHBondContact O-N 3.23Å; V602-V650 CarbonylContact C-O 3.49Å; V602-V650 WeakPolarHBondContact CA-O 3.43Å; V602-V650 HydrophobicContact CG1-CB 4.36Å; V602-V650 HydrophobicContact CG2-CB 4.36Å; M603-V650 PolarHBondContact N-O 3.3Å; V650-I677 CarbonylContact C-O 3.46Å; V650-I677 VanDerWaalsContact CA-O 3.31Å; V650-I677 WeakPolarHBondContact CA-O 3.4Å; V650-I677 HydrophobicContact CG2-CB 4.33Å; V650-I679 HydrophobicContact CG1-CD1 4Å; V650-I679 HydrophobicContact CG1-CG1 4.33Å; V650-L714 HydrophobicContact CG1-CD2 3.81Å; V650-L717 HydrophobicContact CG2-CD2 4.18Å
651M98.1Very high95.6Very high3 Ų353 Ų532%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-120.5131.3177.5-59.9-169.166.200110.9M603 I649 I653 A665 L666 V669 P676 I677 I678 I679M603-M651 HydrophobicContact CB-CE 4.44Å; M603-M651 HydrophobicContact CB-CG 4.19Å; M603-M651 WeakPolarHBondContact O-CA 3.18Å; M603-M651 HydrophobicContact SD-CE 4.48Å; M603-M651 HydrophobicContact SD-CG 4.41Å; M603-M651 HydrophobicContact SD-SD 4.48Å; I649-M651 HydrophobicContact CG2-CG 3.9Å; M651-I653 HydrophobicContact CB-CD1 4.43Å; M651-I653 HydrophobicContact CB-CG1 4.36Å; M651-A665 HydrophobicContact CE-CB 4.11Å; M651-L666 HydrophobicContact CE-CB 4.14Å; M651-L666 HydrophobicContact CE-CD1 4.4Å; M651-L666 HydrophobicContact SD-CB 4.26Å; M651-L666 HydrophobicContact SD-CD1 3.47Å; M651-L666 WeakPolarHBondContact SD-CD1 3.36Å; M651-L666 HydrophobicContact SD-CG 4.47Å; M651-V669 HydrophobicContact CE-CG2 4.47Å; M651-V669 HydrophobicContact SD-CB 4.23Å; M651-V669 HydrophobicContact SD-CG1 4.44Å; M651-V669 HydrophobicContact SD-CG2 3.99Å; M651-P676 HydrophobicContact CB-CB 4.48Å; M651-P676 HydrophobicContact CG-CB 3.77Å; M651-P676 HydrophobicContact CG-CG 4.27Å; M651-P676 HydrophobicContact SD-CB 4.08Å; M651-P676 HydrophobicContact SD-CG 3.95Å; M651-I677 PolarHBondContact N-O 3.34Å; M651-I678 HydrophobicContact CB-CD1 3.92Å; M651-I678 WeakPolarHBondContact O-CA 3.16Å; M651-I679 PolarHBondContact O-N 2.92Å
652V98.1Very high95.6Very high3 Ų348.8 Ų48.82%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-99.8115.1173.7-170.60000109.2M603 N608 T611 I679 T710 L714M603-V652 PolarHBondContact O-N 3.26Å; N608-V652 HydrophobicContact CB-CB 4.18Å; N608-V652 HydrophobicContact CB-CG1 3.82Å; N608-V652 VanDerWaalsContact CG-CG1 3.49Å; N608-V652 WeakPolarHBondContact OD1-CG1 3.35Å; T611-V652 HydrophobicContact CG2-CG2 4.38Å; V652-I679 CarbonylContact C-O 3.53Å; V652-I679 WeakPolarHBondContact CA-O 3.49Å; V652-I679 HydrophobicContact CG2-CB 4.43Å; V652-T710 HydrophobicContact CG1-CG2 3.81Å; V652-L714 HydrophobicContact CG2-CD1 4.15Å
653I97.6Very high95.8Very high1 Ų143.7 Ų43.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-129108.9-174.8-57.1179.9000108.9M651 Y659 I663 L666 I678 I679 C680M651-I653 HydrophobicContact CB-CD1 4.43Å; M651-I653 HydrophobicContact CB-CG1 4.36Å; I653-Y659 HydrophobicContact CG2-CD2 4.14Å; I653-Y659 HydrophobicContact CG2-CE2 4.03Å; I653-I663 HydrophobicContact CD1-CD1 4.49Å; I653-I663 HydrophobicContact CG2-CD1 3.93Å; I653-L666 HydrophobicContact CD1-CB 3.9Å; I653-L666 HydrophobicContact CD1-CD1 4.34Å; I653-L666 HydrophobicContact CD1-CD2 3.81Å; I653-L666 HydrophobicContact CD1-CG 4.2Å; I653-I678 HydrophobicContact CD1-CD1 4.3Å; I653-I679 PolarHBondContact N-O 2.74Å; I653-C680 WeakPolarHBondContact O-CA 3.43Å; I653-C680 WeakPolarHBondContact O-CB 3.14Å
654C97.2Very high95.9Very high3 Ų346.6 Ų46.62%0.0223%0.23CC..  trans-115.9156.6179.1-63.10000112.6N608 D656 Y659 D681 Q706N608-C654 PolarHBondContact ND2-SG 2.82Å; C654-D656 PolarHBondContact O-N 2.94Å; C654-Y659 WeakPolarHBondContact O-CD2 3.28Å; C654-D681 VanDerWaalsContact C-OD2 3.31Å; C654-D681 WeakPolarHBondContact CA-OD2 3.23Å; C654-D681 VanDerWaalsContact CB-OD2 3.26Å; C654-D681 WeakPolarHBondContact CB-OD2 3.45Å; C654-Q706 HydrophobicContact CB-CG 4.06Å; C654-Q706 VanDerWaalsContact SG-CG 3.56Å
655K96Very high96.2Very high86 Ų8643.3 Ų43.337%0.37421%0.213SC..SBendtrans-7964.2179-16372.4179.8-178.50111.3Y659 D681 C683 V684 Y700K655-Y659 HydrophobicContact CD-CD1 4.11Å; K655-Y659 HydrophobicContact CD-CD2 4.08Å; K655-Y659 HydrophobicContact CD-CE1 4.27Å; K655-Y659 HydrophobicContact CD-CE2 4.24Å; K655-Y659 HydrophobicContact CD-CG 4.01Å; K655-Y659 VanDerWaalsContact NZ-CE1 3.33Å; K655-D681 PolarHBondContact N-OD2 2.81Å; K655-C683 HydrophobicContact CB-CB 4.03Å; K655-C683 HydrophobicContact CG-CB 4.1Å; K655-V684 HydrophobicContact CB-CG2 4.33Å; K655-Y700 HydrophobicContact CB-CE2 4.46Å
656D95.4Very high96.4Very high25 Ų2537.7 Ų37.713%0.13419%0.187CC..SBendtrans-115.4-171.81766519000111.7C654 V658 Y659 D703C654-D656 PolarHBondContact O-N 2.94Å; D656-V658 PolarHBondContact O-N 3.42Å; D656-V658 VanDerWaalsContact O-N 3.1Å; D656-V658 WeakPolarHBondContact OD1-CA 3.34Å; D656-V658 WeakPolarHBondContact OD1-CG2 3.17Å; D656-V658 PolarHBondContact OD1-N 3.06Å; D656-Y659 VanDerWaalsContact O-CB 3.23Å; D656-Y659 WeakPolarHBondContact O-CB 3.29Å; D656-Y659 PolarHBondContact O-N 3.46Å; D656-Y659 VanDerWaalsContact O-N 3.1Å; D656-Y659 PolarHBondContact OD1-N 2.87Å; D656-Y659 VanDerWaalsContact OD1-N 3.15Å; D656-D703 HydrophobicContact CB-CB 4.04Å
657H95.8Very high96.6Very high121 Ų12134.2 Ų34.256%0.5617%0.171SC*.THydrogen-bonded Turntrans-62.2-14.5178.971-75.6000114.6Q446Q446-H657 PolarHBondContact NE2-CE1 3.11Å
658V96.2Very high96.7Very high8 Ų836.2 Ų36.25%0.04818%0.179CC..THydrogen-bonded Turntrans-105.13.3176.4-71.70000113.9R605 D656 T660 K661 S662R605-V658 HydrophobicContact CG-CB 4.26Å; R605-V658 HydrophobicContact CG-CG2 3.84Å; R605-V658 VanDerWaalsContact NE-CB 3.34Å; D656-V658 PolarHBondContact O-N 3.42Å; D656-V658 VanDerWaalsContact O-N 3.1Å; D656-V658 WeakPolarHBondContact OD1-CA 3.34Å; D656-V658 WeakPolarHBondContact OD1-CG2 3.17Å; D656-V658 PolarHBondContact OD1-N 3.06Å; V658-T660 PolarHBondContact O-N 3.38Å; V658-K661 WeakPolarHBondContact O-CA 3.34Å; V658-K661 WeakPolarHBondContact O-CB 3.36Å; V658-K661 PolarHBondContact O-N 2.87Å; V658-S662 PolarHBondContact O-N 2.86Å; V658-S662 PolarHBondContact O-OG 3.45Å
659Y97.2Very high96.8Very high18 Ų1835.4 Ų35.47%0.07117%0.174CC..Hα-helixtrans-43.5-56.8-179.6176.6-109.1000114I653 C654 K655 D656 K661 S662 I663 V684 P685 D688I653-Y659 HydrophobicContact CG2-CD2 4.14Å; I653-Y659 HydrophobicContact CG2-CE2 4.03Å; C654-Y659 WeakPolarHBondContact O-CD2 3.28Å; K655-Y659 HydrophobicContact CD-CD1 4.11Å; K655-Y659 HydrophobicContact CD-CD2 4.08Å; K655-Y659 HydrophobicContact CD-CE1 4.27Å; K655-Y659 HydrophobicContact CD-CE2 4.24Å; K655-Y659 HydrophobicContact CD-CG 4.01Å; K655-Y659 VanDerWaalsContact NZ-CE1 3.33Å; D656-Y659 VanDerWaalsContact O-CB 3.23Å; D656-Y659 WeakPolarHBondContact O-CB 3.29Å; D656-Y659 PolarHBondContact O-N 3.46Å; D656-Y659 VanDerWaalsContact O-N 3.1Å; D656-Y659 PolarHBondContact OD1-N 2.87Å; D656-Y659 VanDerWaalsContact OD1-N 3.15Å; Y659-K661 PolarHBondContact O-N 2.97Å; Y659-S662 WeakPolarHBondContact O-CA 3.45Å; Y659-S662 VanDerWaalsContact O-CB 3.31Å; Y659-S662 WeakPolarHBondContact O-CB 3.32Å; Y659-S662 PolarHBondContact O-N 2.81Å; Y659-I663 HydrophobicContact CD2-CG1 4.36Å; Y659-I663 HydrophobicContact CE1-CG1 4.02Å; Y659-I663 HydrophobicContact CE2-CD1 3.88Å; Y659-I663 HydrophobicContact CE2-CG1 3.84Å; Y659-I663 PolarHBondContact O-N 2.82Å; Y659-V684 HydrophobicContact CD2-CG2 4.33Å; Y659-V684 HydrophobicContact CE2-CB 4.34Å; Y659-V684 HydrophobicContact CE2-CG1 3.84Å; Y659-V684 HydrophobicContact CE2-CG2 3.8Å; Y659-P685 WeakPolarHBondContact OH-CD 3.33Å; Y659-D688 VanDerWaalsContact OH-CB 3.28Å; Y659-D688 WeakPolarHBondContact OH-CB 3.32Å; Y659-D688 VanDerWaalsContact OH-CG 3.31Å; Y659-D688 PolarHBondContact OH-OD2 3.15Å
660T97.1Very high96.6Very high98 Ų9839.1 Ų39.160%0.60119%0.191SC*.Hα-helixtrans-57.7-38.7-178.8-52.40000111.9V658 S662 I663 N664V658-T660 PolarHBondContact O-N 3.38Å; T660-S662 VanDerWaalsContact C-N 3.35Å; T660-I663 PolarHBondContact O-N 2.82Å; T660-N664 VanDerWaalsContact O-CG 3.28Å; T660-N664 PolarHBondContact O-N 3.25Å; T660-N664 VanDerWaalsContact O-N 3.08Å; T660-N664 PolarHBondContact O-OD1 2.79Å
661K97.4Very high96.5Very high117 Ų11741.8 Ų41.851%0.50921%0.213SC..Hα-helixtrans-73.3-29.3179-54.3176.2179.31710111.7V658 Y659 A665V658-K661 WeakPolarHBondContact O-CA 3.34Å; V658-K661 WeakPolarHBondContact O-CB 3.36Å; V658-K661 PolarHBondContact O-N 2.87Å; Y659-K661 PolarHBondContact O-N 2.97Å; K661-A665 PolarHBondContact O-N 3.09Å
662S96.7Very high96.3Very high5 Ų548 Ų484%0.03524%0.236CC..Hα-helixtrans-68.3-41.7171.8-61.20000111.9R605 V658 Y659 T660 N664 A665 L666R605-S662 WeakPolarHBondContact CD-OG 3.41Å; R605-S662 VanDerWaalsContact CG-OG 3.26Å; R605-S662 WeakPolarHBondContact CG-OG 3.5Å; V658-S662 PolarHBondContact O-N 2.86Å; V658-S662 PolarHBondContact O-OG 3.45Å; Y659-S662 WeakPolarHBondContact O-CA 3.45Å; Y659-S662 VanDerWaalsContact O-CB 3.31Å; Y659-S662 WeakPolarHBondContact O-CB 3.32Å; Y659-S662 PolarHBondContact O-N 2.81Å; T660-S662 VanDerWaalsContact C-N 3.35Å; S662-N664 VanDerWaalsContact C-N 3.34Å; S662-N664 PolarHBondContact O-N 2.96Å; S662-A665 WeakPolarHBondContact O-CB 3.43Å; S662-A665 PolarHBondContact O-N 3.16Å; S662-L666 PolarHBondContact O-N 3.4Å
663I97.1Very high96.1Very high15 Ų1555 Ų558%0.07727%0.267CS..Hα-helixtrans-62.5-41.4174.3-63.4-59.5000111.1I653 Y659 T660 A665 L666 Q667 D688I653-I663 HydrophobicContact CD1-CD1 4.49Å; I653-I663 HydrophobicContact CG2-CD1 3.93Å; Y659-I663 HydrophobicContact CD2-CG1 4.36Å; Y659-I663 HydrophobicContact CE1-CG1 4.02Å; Y659-I663 HydrophobicContact CE2-CD1 3.88Å; Y659-I663 HydrophobicContact CE2-CG1 3.84Å; Y659-I663 PolarHBondContact O-N 2.82Å; T660-I663 PolarHBondContact O-N 2.82Å; I663-A665 VanDerWaalsContact C-N 3.28Å; I663-A665 PolarHBondContact O-N 3.03Å; I663-L666 WeakPolarHBondContact O-CB 3.5Å; I663-L666 PolarHBondContact O-N 3.37Å; I663-L666 VanDerWaalsContact O-N 3.1Å; I663-Q667 WeakPolarHBondContact O-CG 3.48Å; I663-Q667 PolarHBondContact O-N 3.02Å; I663-D688 HydrophobicContact CD1-CB 4.03Å
664N96.5Very high95.9Very high72 Ų7255 Ų5539%0.38527%0.267SS..Hα-helixtrans-60.4-38.1174.4-67.9-9.3000112.4T660 S662 Q667 Q668T660-N664 VanDerWaalsContact O-CG 3.28Å; T660-N664 PolarHBondContact O-N 3.25Å; T660-N664 VanDerWaalsContact O-N 3.08Å; T660-N664 PolarHBondContact O-OD1 2.79Å; S662-N664 VanDerWaalsContact C-N 3.34Å; S662-N664 PolarHBondContact O-N 2.96Å; N664-Q667 PolarHBondContact O-N 3.21Å; N664-Q668 VanDerWaalsContact O-CG 3.31Å; N664-Q668 WeakPolarHBondContact O-CG 3.27Å; N664-Q668 PolarHBondContact O-N 3.23Å; N664-Q668 VanDerWaalsContact O-N 3.11Å
665A96.9Very high95.8Very high3 Ų361.4 Ų61.43%0.02529%0.291CS..Hα-helixtrans-66.4-40174.200000111.7L635 M651 K661 S662 I663 Q667 Q668 V669L635-A665 HydrophobicContact CD1-CB 3.97Å; M651-A665 HydrophobicContact CE-CB 4.11Å; K661-A665 PolarHBondContact O-N 3.09Å; S662-A665 WeakPolarHBondContact O-CB 3.43Å; S662-A665 PolarHBondContact O-N 3.16Å; I663-A665 VanDerWaalsContact C-N 3.28Å; I663-A665 PolarHBondContact O-N 3.03Å; A665-Q667 VanDerWaalsContact C-N 3.32Å; A665-Q667 PolarHBondContact O-N 3.31Å; A665-Q668 WeakPolarHBondContact O-CB 3.42Å; A665-Q668 PolarHBondContact O-N 2.93Å; A665-V669 WeakPolarHBondContact O-CG2 3.43Å; A665-V669 PolarHBondContact O-N 3.09Å
666L96.8Very high95.8Very high0 Ų057.3 Ų57.30%027%0.273CS..Hα-helixtrans-60.2-43.4174.9-178.363.7000111.3M651 I653 S662 I663 Q668 V669 H670 P676 I678 L689 M690 L692M651-L666 HydrophobicContact CE-CB 4.14Å; M651-L666 HydrophobicContact CE-CD1 4.4Å; M651-L666 HydrophobicContact SD-CB 4.26Å; M651-L666 HydrophobicContact SD-CD1 3.47Å; M651-L666 WeakPolarHBondContact SD-CD1 3.36Å; M651-L666 HydrophobicContact SD-CG 4.47Å; I653-L666 HydrophobicContact CD1-CB 3.9Å; I653-L666 HydrophobicContact CD1-CD1 4.34Å; I653-L666 HydrophobicContact CD1-CD2 3.81Å; I653-L666 HydrophobicContact CD1-CG 4.2Å; S662-L666 PolarHBondContact O-N 3.4Å; I663-L666 WeakPolarHBondContact O-CB 3.5Å; I663-L666 PolarHBondContact O-N 3.37Å; I663-L666 VanDerWaalsContact O-N 3.1Å; L666-Q668 VanDerWaalsContact C-N 3.31Å; L666-Q668 PolarHBondContact O-N 3.39Å; L666-V669 PolarHBondContact O-N 3.17Å; L666-H670 WeakPolarHBondContact O-CB 3.42Å; L666-H670 PolarHBondContact O-N 3.48Å; L666-P676 HydrophobicContact CD1-CG 3.45Å; L666-P676 VanDerWaalsContact CD1-CG 3.45Å; L666-I678 HydrophobicContact CD1-CD1 3.55Å; L666-I678 HydrophobicContact CD2-CD1 4.38Å; L666-L689 HydrophobicContact CD2-CD2 4.16Å; L666-M690 HydrophobicContact CB-CE 4Å; L666-M690 HydrophobicContact CD1-CE 4.46Å; L666-M690 HydrophobicContact CD2-CE 3.59Å; L666-M690 HydrophobicContact CG-CE 3.35Å; L666-L692 HydrophobicContact CD1-CD1 3.93Å; L666-L692 HydrophobicContact CD2-CD1 4.42Å
667Q95.8Very high95.8Very high96 Ų9656.3 Ų56.345%0.44927%0.268SS..Hα-helixtrans-61.1-39175.7-70.5171.7-10.100112I663 N664 A665 H670 A671 M690I663-Q667 WeakPolarHBondContact O-CG 3.48Å; I663-Q667 PolarHBondContact O-N 3.02Å; N664-Q667 PolarHBondContact O-N 3.21Å; A665-Q667 VanDerWaalsContact C-N 3.32Å; A665-Q667 PolarHBondContact O-N 3.31Å; Q667-H670 PolarHBondContact O-N 3.02Å; Q667-A671 WeakPolarHBondContact O-CB 3.43Å; Q667-A671 PolarHBondContact O-N 3.22Å; Q667-M690 HydrophobicContact CB-CE 4.25Å; Q667-M690 HydrophobicContact CG-CE 3.67Å; Q667-M690 HydrophobicContact CG-SD 3.94Å
668Q95.7Very high95.9Very high67 Ų6750.6 Ų50.631%0.31324%0.241SC..Hα-helixtrans-64.1-43176.3-70164.927.400112.1L640 N664 A665 L666 R672L640-Q668 HydrophobicContact CD1-CB 4.35Å; L640-Q668 HydrophobicContact CD2-CB 4.33Å; N664-Q668 VanDerWaalsContact O-CG 3.31Å; N664-Q668 WeakPolarHBondContact O-CG 3.27Å; N664-Q668 PolarHBondContact O-N 3.23Å; N664-Q668 VanDerWaalsContact O-N 3.11Å; A665-Q668 WeakPolarHBondContact O-CB 3.42Å; A665-Q668 PolarHBondContact O-N 2.93Å; L666-Q668 VanDerWaalsContact C-N 3.31Å; L666-Q668 PolarHBondContact O-N 3.39Å; Q668-R672 PolarHBondContact O-N 3.42Å
669V96Very high96Very high0 Ų050.3 Ų50.30%024%0.239CC..Hα-helixtrans-64.1-47.3175.8171.20000110.4M603 L635 V643 I649 M651 A665 L666 A671 R672 G674 P676M603-V669 HydrophobicContact CE-CG2 4.37Å; M603-V669 HydrophobicContact SD-CG2 3.86Å; L635-V669 HydrophobicContact CD1-CG2 4.19Å; V643-V669 HydrophobicContact CG1-CG1 3.99Å; I649-V669 HydrophobicContact CD1-CG1 3.7Å; M651-V669 HydrophobicContact CE-CG2 4.47Å; M651-V669 HydrophobicContact SD-CB 4.23Å; M651-V669 HydrophobicContact SD-CG1 4.44Å; M651-V669 HydrophobicContact SD-CG2 3.99Å; A665-V669 WeakPolarHBondContact O-CG2 3.43Å; A665-V669 PolarHBondContact O-N 3.09Å; L666-V669 PolarHBondContact O-N 3.17Å; V669-A671 VanDerWaalsContact C-N 3.34Å; V669-A671 PolarHBondContact O-N 2.98Å; V669-R672 PolarHBondContact O-N 3.22Å; V669-G674 WeakPolarHBondContact O-CA 3.31Å; V669-G674 PolarHBondContact O-N 2.82Å; V669-P676 HydrophobicContact CG1-CG 4.19Å
670H94.6Very high96Very high79 Ų7949.4 Ų49.437%0.36624%0.236SC..Hα-helixtrans-62.4-39.6179.4-169.668.7000112.4L666 Q667 R672 F673 M690L666-H670 WeakPolarHBondContact O-CB 3.42Å; L666-H670 PolarHBondContact O-N 3.48Å; Q667-H670 PolarHBondContact O-N 3.02Å; H670-R672 PolarHBondContact O-N 2.98Å; H670-R672 VanDerWaalsContact O-N 3.09Å; H670-F673 PolarHBondContact O-N 3.36Å; H670-M690 HydrophobicContact CB-CE 4.07Å; H670-M690 HydrophobicContact CB-SD 3.86Å
671A94.7Very high96Very high57 Ų5744.8 Ų44.847%0.47121%0.207SC..THydrogen-bonded Turntrans-67.1-5.1175.500000114.3Q667 V669Q667-A671 WeakPolarHBondContact O-CB 3.43Å; Q667-A671 PolarHBondContact O-N 3.22Å; V669-A671 VanDerWaalsContact C-N 3.34Å; V669-A671 PolarHBondContact O-N 2.98Å
672R94.7Very high95.9Very high133 Ų13344.6 Ų44.650%0.50221%0.208SC..THydrogen-bonded Turntrans-113.223171.2-62.9-63.9179.4-84.8-1.9111.8L640 V643 Q668 V669 H670 G674L640-R672 HydrophobicContact CD1-CG 4.35Å; L640-R672 HydrophobicContact CG-CG 4.43Å; V643-R672 HydrophobicContact CB-CB 4.25Å; V643-R672 HydrophobicContact CG1-CB 3.81Å; Q668-R672 PolarHBondContact O-N 3.42Å; V669-R672 PolarHBondContact O-N 3.22Å; H670-R672 PolarHBondContact O-N 2.98Å; H670-R672 VanDerWaalsContact O-N 3.09Å; R672-G674 PolarHBondContact O-N 3.41Å; R672-G674 VanDerWaalsContact O-N 3.11Å
673F93.9Very high95.9Very high151 Ų15147.3 Ų47.366%0.66223%0.227SC*.THydrogen-bonded Turntrans63.99-178.7-47.8-76.8000114.4E645 H670 R675E645-F673 HydrophobicContact CB-CB 4.22Å; H670-F673 PolarHBondContact O-N 3.36Å; F673-R675 PolarHBondContact O-N 3.32Å
674G93.5Very high95.8Very high0 Ų046.7 Ų46.70%022%0.223CC..  trans-62.3129.4171.700000110V669 R672 P676V669-G674 WeakPolarHBondContact O-CA 3.31Å; V669-G674 PolarHBondContact O-N 2.82Å; R672-G674 PolarHBondContact O-N 3.41Å; R672-G674 VanDerWaalsContact O-N 3.11Å; G674-P676 VanDerWaalsContact O-CD 3.25Å; G674-P676 WeakPolarHBondContact O-CD 3.17Å
675R93.3Very high95.7Very high138 Ų13845.6 Ų45.652%0.52122%0.22SC..  trans-113.386.8175.5-57.7-176.6-173.7178.54.3107.6E645 F673 R694E645-R675 IonicContact OE1-CZ 3.32Å; E645-R675 VanDerWaalsContact OE1-CZ 3.32Å; E645-R675 IonicContact OE1-NE 3.74Å; E645-R675 IonicContact OE1-NH2 2.68Å; E645-R675 PolarHBondContact OE1-NH2 3.21Å; F673-R675 PolarHBondContact O-N 3.32Å; R675-R694 PolarHBondContact O-NH2 3.18Å
676P95.8Very high95.5Very high0 Ų048.5 Ų48.50%024%0.244CC..PPolyproline II helixtrans-75.2155.1-176.927.7-32.5000112.5I649 M651 L666 V669 G674 I678 L692I649-P676 HydrophobicContact CB-CB 4.04Å; I649-P676 HydrophobicContact CG2-CB 3.9Å; I649-P676 CarbonylContact O-C 3.59Å; I649-P676 WeakPolarHBondContact O-CA 3.45Å; M651-P676 HydrophobicContact CB-CB 4.48Å; M651-P676 HydrophobicContact CG-CB 3.77Å; M651-P676 HydrophobicContact CG-CG 4.27Å; M651-P676 HydrophobicContact SD-CB 4.08Å; M651-P676 HydrophobicContact SD-CG 3.95Å; L666-P676 HydrophobicContact CD1-CG 3.45Å; L666-P676 VanDerWaalsContact CD1-CG 3.45Å; V669-P676 HydrophobicContact CG1-CG 4.19Å; G674-P676 VanDerWaalsContact O-CD 3.25Å; G674-P676 WeakPolarHBondContact O-CD 3.17Å; P676-I678 HydrophobicContact CB-CD1 4.05Å; P676-I678 HydrophobicContact CG-CD1 3.8Å; P676-L692 HydrophobicContact CG-CD1 3.86Å
677I97.1Very high95.3Very high5 Ų553 Ų533%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-81.8126158.6-61169.9000106.7L590 I594 I649 V650 M651 R694 I696L590-I677 HydrophobicContact CB-CD1 4.31Å; L590-I677 HydrophobicContact CD1-CG2 4Å; L590-I677 HydrophobicContact CD2-CD1 4.4Å; L590-I677 HydrophobicContact CD2-CG1 4.48Å; I594-I677 HydrophobicContact CG2-CD1 4.34Å; I649-I677 PolarHBondContact O-N 2.93Å; V650-I677 CarbonylContact C-O 3.46Å; V650-I677 VanDerWaalsContact CA-O 3.31Å; V650-I677 WeakPolarHBondContact CA-O 3.4Å; V650-I677 HydrophobicContact CG2-CB 4.33Å; M651-I677 PolarHBondContact N-O 3.34Å; I677-R694 WeakPolarHBondContact CA-O 3.49Å; I677-R694 HydrophobicContact CB-CB 4.49Å; I677-R694 HydrophobicContact CG1-CB 4.13Å; I677-I696 HydrophobicContact CG2-CD1 4.35Å
678I97.8Very high95.2Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-99.5129.9-178.7-54.1-56.2000109.9M651 I653 L666 P676 C680 L689 L692 R694 V695 I696M651-I678 HydrophobicContact CB-CD1 3.92Å; M651-I678 WeakPolarHBondContact O-CA 3.16Å; I653-I678 HydrophobicContact CD1-CD1 4.3Å; L666-I678 HydrophobicContact CD1-CD1 3.55Å; L666-I678 HydrophobicContact CD2-CD1 4.38Å; P676-I678 HydrophobicContact CB-CD1 4.05Å; P676-I678 HydrophobicContact CG-CD1 3.8Å; I678-C680 HydrophobicContact CG2-CB 3.96Å; I678-L689 HydrophobicContact CG2-CD1 4.36Å; I678-L689 HydrophobicContact CG2-CD2 4.07Å; I678-L692 HydrophobicContact CD1-CD1 3.92Å; I678-L692 HydrophobicContact CG1-CD1 3.77Å; I678-R694 PolarHBondContact N-O 3.09Å; I678-V695 HydrophobicContact CB-CG1 4.39Å; I678-V695 HydrophobicContact CB-CG2 4.24Å; I678-V695 HydrophobicContact CG2-CG1 4.49Å; I678-V695 CarbonylContact O-C 3.45Å; I678-V695 WeakPolarHBondContact O-CA 3.41Å; I678-I696 PolarHBondContact O-N 3.17Å
679I97.9Very high95.1Very high2 Ų248 Ų481%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-107.4116.5162.3-60.5171.4000106.5V650 M651 V652 I653 I696 V698 T710 P713 L714V650-I679 HydrophobicContact CG1-CD1 4Å; V650-I679 HydrophobicContact CG1-CG1 4.33Å; M651-I679 PolarHBondContact O-N 2.92Å; V652-I679 CarbonylContact C-O 3.53Å; V652-I679 WeakPolarHBondContact CA-O 3.49Å; V652-I679 HydrophobicContact CG2-CB 4.43Å; I653-I679 PolarHBondContact N-O 2.74Å; I679-I696 WeakPolarHBondContact CA-O 3.25Å; I679-I696 HydrophobicContact CG1-CB 4.32Å; I679-I696 HydrophobicContact CG1-CD1 4.19Å; I679-V698 HydrophobicContact CG2-CG1 4.33Å; I679-T710 HydrophobicContact CG2-CG2 4.24Å; I679-P713 HydrophobicContact CD1-CB 4.1Å; I679-L714 HydrophobicContact CD1-CD1 4Å; I679-L714 HydrophobicContact CD1-CD2 3.52Å; I679-L714 HydrophobicContact CD1-CG 3.5Å
680C97.5Very high94.8Very high0 Ų050.4 Ų50.40%027%0.266CS..EExtended strand (participates in β ladder)trans-137.5158-179.468.40000111.7I653 I678 V684 I696 R697 V698I653-C680 WeakPolarHBondContact O-CA 3.43Å; I653-C680 WeakPolarHBondContact O-CB 3.14Å; I678-C680 HydrophobicContact CG2-CB 3.96Å; C680-V684 HydrophobicContact CB-CB 4.01Å; C680-V684 HydrophobicContact CB-CG1 4.28Å; C680-V684 HydrophobicContact CB-CG2 4.01Å; C680-I696 PolarHBondContact N-O 3.24Å; C680-R697 CarbonylContact O-C 3.55Å; C680-R697 VanDerWaalsContact O-CA 3.28Å; C680-R697 WeakPolarHBondContact O-CA 3.38Å; C680-V698 PolarHBondContact O-N 2.64Å
681D96.5Very high94.3Very high1 Ų153.8 Ų53.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-74.9165.9168.464.379.4000111.9C654 K655 C683 V684 R697 V698 Y700C654-D681 VanDerWaalsContact C-OD2 3.31Å; C654-D681 WeakPolarHBondContact CA-OD2 3.23Å; C654-D681 VanDerWaalsContact CB-OD2 3.26Å; C654-D681 WeakPolarHBondContact CB-OD2 3.45Å; K655-D681 PolarHBondContact N-OD2 2.81Å; D681-C683 PolarHBondContact O-N 2.84Å; D681-C683 WeakPolarHBondContact OD1-CA 3.41Å; D681-C683 WeakPolarHBondContact OD1-CB 3.31Å; D681-C683 PolarHBondContact OD1-N 3.22Å; D681-V684 PolarHBondContact O-N 3.43Å; D681-V684 PolarHBondContact OD1-N 2.94Å; D681-R697 PolarHBondContact O-NH1 3.49Å; D681-V698 CarbonylContact C-O 3.52Å; D681-V698 WeakPolarHBondContact CA-O 3.46Å; D681-V698 HydrophobicContact CB-CG2 4.37Å; D681-Y700 HydrophobicContact CB-CD2 4.46Å
682E95.7Very high94.1Very high113 Ų11352.3 Ų52.353%0.52827%0.271SS..THydrogen-bonded Turntrans-60.5-25.3179.1-75.2166.3-179.100114V684 R697 V698E682-V684 VanDerWaalsContact C-N 3.3Å; E682-V684 PolarHBondContact O-N 2.87Å; E682-R697 HydrophobicContact CG-CB 4.49Å; E682-R697 PolarHBondContact O-NH1 3.26Å; E682-V698 WeakPolarHBondContact CG-O 3.41Å; E682-V698 PolarHBondContact N-O 3.49Å
683C95.6Very high93.7Very high62 Ų6255.8 Ų55.842%0.41929%0.29SS..THydrogen-bonded Turntrans-80.7-7-179.2-60.90000113.6K655 D681 P685 Y700K655-C683 HydrophobicContact CB-CB 4.03Å; K655-C683 HydrophobicContact CG-CB 4.1Å; D681-C683 PolarHBondContact O-N 2.84Å; D681-C683 WeakPolarHBondContact OD1-CA 3.41Å; D681-C683 WeakPolarHBondContact OD1-CB 3.31Å; D681-C683 PolarHBondContact OD1-N 3.22Å; C683-P685 WeakPolarHBondContact O-CD 3.31Å; C683-Y700 HydrophobicContact CB-CD2 4.1Å; C683-Y700 VanDerWaalsContact SG-CB 3.58Å; C683-Y700 VanDerWaalsContact SG-CG 3.54Å
684V96Very high93.7Very high1 Ų151.8 Ų51.81%0.00627%0.27CS..SBendtrans-76.4116.7174.2176.50000110.5K655 Y659 C680 D681 E682 L689 R697K655-V684 HydrophobicContact CB-CG2 4.33Å; Y659-V684 HydrophobicContact CD2-CG2 4.33Å; Y659-V684 HydrophobicContact CE2-CB 4.34Å; Y659-V684 HydrophobicContact CE2-CG1 3.84Å; Y659-V684 HydrophobicContact CE2-CG2 3.8Å; C680-V684 HydrophobicContact CB-CB 4.01Å; C680-V684 HydrophobicContact CB-CG1 4.28Å; C680-V684 HydrophobicContact CB-CG2 4.01Å; D681-V684 PolarHBondContact O-N 3.43Å; D681-V684 PolarHBondContact OD1-N 2.94Å; E682-V684 VanDerWaalsContact C-N 3.3Å; E682-V684 PolarHBondContact O-N 2.87Å; V684-L689 HydrophobicContact CG1-CD1 4.41Å; V684-L689 HydrophobicContact CG1-CD2 3.87Å; V684-L689 HydrophobicContact CG1-CG 4.22Å; V684-R697 PolarHBondContact O-NH1 2.88Å; V684-R697 PolarHBondContact O-NH2 3.46Å; V684-R697 VanDerWaalsContact O-NH2 3.11Å
685P94.9Very high93.8Very high49 Ų4953.7 Ų53.732%0.31828%0.282SS..  trans-61.1137.8179.4-23.135000112.2Y659 C683 S687 D688Y659-P685 WeakPolarHBondContact OH-CD 3.33Å; C683-P685 WeakPolarHBondContact O-CD 3.31Å; P685-S687 WeakPolarHBondContact CB-OG 3.14Å; P685-S687 PolarHBondContact O-N 3.11Å; P685-D688 PolarHBondContact O-N 2.9Å
686A92.2Very high94Very high65 Ų6547.6 Ų47.654%0.53726%0.26SS..G310 helixtrans-62.2-30.2177.200000112.8D688 L689A686-D688 PolarHBondContact O-N 2.76Å; A686-L689 PolarHBondContact O-N 2.65Å
687S92.8Very high94Very high93 Ų9352 Ų5265%0.6528%0.276SS*.G310 helixtrans-57.5-32175.852.70000113.3P685 L689P685-S687 WeakPolarHBondContact CB-OG 3.14Å; P685-S687 PolarHBondContact O-N 3.11Å; S687-L689 VanDerWaalsContact C-N 3.25Å; S687-L689 PolarHBondContact O-N 2.71Å
688D93.2Very high94.1Very high56 Ų5651.7 Ų51.730%0.29928%0.275SS..G310 helixtrans-82.6-10.7-174.1-63.56.3000111.4Y659 I663 P685 A686Y659-D688 VanDerWaalsContact OH-CB 3.28Å; Y659-D688 WeakPolarHBondContact OH-CB 3.32Å; Y659-D688 VanDerWaalsContact OH-CG 3.31Å; Y659-D688 PolarHBondContact OH-OD2 3.15Å; I663-D688 HydrophobicContact CD1-CB 4.03Å; P685-D688 PolarHBondContact O-N 2.9Å; A686-D688 PolarHBondContact O-N 2.76Å
689L93.3Very high94.1Very high4 Ų452.3 Ų52.32%0.02128%0.278CS..G310 helixtrans-94.314.1-176.3-57.7-177000113.7L666 I678 V684 A686 S687 D691 L692 V695L666-L689 HydrophobicContact CD2-CD2 4.16Å; I678-L689 HydrophobicContact CG2-CD1 4.36Å; I678-L689 HydrophobicContact CG2-CD2 4.07Å; V684-L689 HydrophobicContact CG1-CD1 4.41Å; V684-L689 HydrophobicContact CG1-CD2 3.87Å; V684-L689 HydrophobicContact CG1-CG 4.22Å; A686-L689 PolarHBondContact O-N 2.65Å; S687-L689 VanDerWaalsContact C-N 3.25Å; S687-L689 PolarHBondContact O-N 2.71Å; L689-D691 VanDerWaalsContact C-N 3.29Å; L689-D691 PolarHBondContact O-N 2.97Å; L689-L692 WeakPolarHBondContact O-CB 3.39Å; L689-L692 WeakPolarHBondContact O-CD1 3.28Å; L689-L692 VanDerWaalsContact O-CG 3.22Å; L689-L692 WeakPolarHBondContact O-CG 3.36Å; L689-L692 PolarHBondContact O-N 2.97Å; L689-L692 VanDerWaalsContact O-N 3.1Å; L689-V695 HydrophobicContact CD1-CG1 3.87Å; L689-V695 HydrophobicContact CD1-CG2 4.01Å
690M89.4Confident94.1Very high49 Ų4957 Ų5724%0.24130%0.297CS..THydrogen-bonded Turntrans51.243.2172.7-67.2177.2-88.600113.9L666 Q667 H670 L692L666-M690 HydrophobicContact CB-CE 4Å; L666-M690 HydrophobicContact CD1-CE 4.46Å; L666-M690 HydrophobicContact CD2-CE 3.59Å; L666-M690 HydrophobicContact CG-CE 3.35Å; Q667-M690 HydrophobicContact CB-CE 4.25Å; Q667-M690 HydrophobicContact CG-CE 3.67Å; Q667-M690 HydrophobicContact CG-SD 3.94Å; H670-M690 HydrophobicContact CB-CE 4.07Å; H670-M690 HydrophobicContact CB-SD 3.86Å; M690-L692 PolarHBondContact O-N 3.27Å
691D85.4Confident94.1Very high151 Ų15157.2 Ų57.281%0.80730%0.298SS*.THydrogen-bonded Turntrans55.622179-56.9-43.4000115L689 K693L689-D691 VanDerWaalsContact C-N 3.29Å; L689-D691 PolarHBondContact O-N 2.97Å; D691-K693 PolarHBondContact O-N 3.21Å
692L88.9Confident94.1Very high26 Ų2657.6 Ų57.614%0.13630%0.301CS..  trans-62.9126.3174.9-70.8172000110.1L666 P676 I678 L689 M690 V695L666-L692 HydrophobicContact CD1-CD1 3.93Å; L666-L692 HydrophobicContact CD2-CD1 4.42Å; P676-L692 HydrophobicContact CG-CD1 3.86Å; I678-L692 HydrophobicContact CD1-CD1 3.92Å; I678-L692 HydrophobicContact CG1-CD1 3.77Å; L689-L692 WeakPolarHBondContact O-CB 3.39Å; L689-L692 WeakPolarHBondContact O-CD1 3.28Å; L689-L692 VanDerWaalsContact O-CG 3.22Å; L689-L692 WeakPolarHBondContact O-CG 3.36Å; L689-L692 PolarHBondContact O-N 2.97Å; L689-L692 VanDerWaalsContact O-N 3.1Å; M690-L692 PolarHBondContact O-N 3.27Å; L692-V695 VanDerWaalsContact O-CG2 3.31Å; L692-V695 WeakPolarHBondContact O-CG2 3.08Å
693K86.4Confident94.1Very high206 Ų20653.8 Ų53.890%0.89628%0.284SS*.SBendtrans-77.8-24.8-178.7-63.6-174.9178.8-178.20113.8D691 V695D691-K693 PolarHBondContact O-N 3.21Å; K693-V695 PolarHBondContact O-N 2.83Å
694R94.2Very high94.2Very high66 Ų6650.9 Ų50.925%0.24926%0.264CS..  trans-96.281-172.2-66.1176.7-66.7-177.3-2.6109.8L590 E593 R675 I677 I678L590-R694 HydrophobicContact CD2-CB 3.9Å; L590-R694 HydrophobicContact CD2-CG 3.63Å; E593-R694 WeakPolarHBondContact OE2-CD 3.34Å; E593-R694 IonicContact OE2-NH1 3.59Å; R675-R694 PolarHBondContact O-NH2 3.18Å; I677-R694 WeakPolarHBondContact CA-O 3.49Å; I677-R694 HydrophobicContact CB-CB 4.49Å; I677-R694 HydrophobicContact CG1-CB 4.13Å; I678-R694 PolarHBondContact N-O 3.09Å
695V96.4Very high94.3Very high41 Ų4150.9 Ų50.925%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-124.9125.8-177.3-1750000109.6I678 L689 L692 K693 R697I678-V695 HydrophobicContact CB-CG1 4.39Å; I678-V695 HydrophobicContact CB-CG2 4.24Å; I678-V695 HydrophobicContact CG2-CG1 4.49Å; I678-V695 CarbonylContact O-C 3.45Å; I678-V695 WeakPolarHBondContact O-CA 3.41Å; L689-V695 HydrophobicContact CD1-CG1 3.87Å; L689-V695 HydrophobicContact CD1-CG2 4.01Å; L692-V695 VanDerWaalsContact O-CG2 3.31Å; L692-V695 WeakPolarHBondContact O-CG2 3.08Å; K693-V695 PolarHBondContact O-N 2.83Å; V695-R697 HydrophobicContact CG1-CG 4.16Å
696I97.1Very high94.5Very high10 Ų1048.7 Ų48.75%0.05125%0.25CC..EExtended strand (participates in β ladder)trans-105.2115.5170.2-59.2163.6000106.8T583 V587 L590 I677 I678 I679 C680 P713T583-I696 HydrophobicContact CG2-CG2 4.1Å; V587-I696 HydrophobicContact CG2-CD1 3.87Å; L590-I696 HydrophobicContact CD1-CD1 3.72Å; L590-I696 HydrophobicContact CD1-CG1 3.88Å; I677-I696 HydrophobicContact CG2-CD1 4.35Å; I678-I696 PolarHBondContact O-N 3.17Å; I679-I696 WeakPolarHBondContact CA-O 3.25Å; I679-I696 HydrophobicContact CG1-CB 4.32Å; I679-I696 HydrophobicContact CG1-CD1 4.19Å; C680-I696 PolarHBondContact N-O 3.24Å; I696-P713 HydrophobicContact CD1-CB 4.27Å; I696-P713 HydrophobicContact CG2-CB 4.21Å; I696-P713 HydrophobicContact CG2-CG 4.08Å
697R97Very high94.7Very high91 Ų9145.6 Ų45.634%0.34322%0.224SC..EExtended strand (participates in β ladder)trans-92130.8175.7-68.5-173173.6-87.7-1.3110C680 D681 E682 V684 V695C680-R697 CarbonylContact O-C 3.55Å; C680-R697 VanDerWaalsContact O-CA 3.28Å; C680-R697 WeakPolarHBondContact O-CA 3.38Å; D681-R697 PolarHBondContact O-NH1 3.49Å; E682-R697 HydrophobicContact CG-CB 4.49Å; E682-R697 PolarHBondContact O-NH1 3.26Å; V684-R697 PolarHBondContact O-NH1 2.88Å; V684-R697 PolarHBondContact O-NH2 3.46Å; V684-R697 VanDerWaalsContact O-NH2 3.11Å; V695-R697 HydrophobicContact CG1-CG 4.16Å
698V97.6Very high95Very high0 Ų041.2 Ų41.20%019%0.193CC..EExtended strand (participates in β ladder)trans-111.8153.6171.6-59.90000110V580 I679 C680 D681 E682 T710 P713V580-V698 HydrophobicContact CG1-CG1 4.02Å; V580-V698 HydrophobicContact CG2-CB 3.96Å; V580-V698 HydrophobicContact CG2-CG1 4Å; I679-V698 HydrophobicContact CG2-CG1 4.33Å; C680-V698 PolarHBondContact O-N 2.64Å; D681-V698 CarbonylContact C-O 3.52Å; D681-V698 WeakPolarHBondContact CA-O 3.46Å; D681-V698 HydrophobicContact CB-CG2 4.37Å; E682-V698 WeakPolarHBondContact CG-O 3.41Å; E682-V698 PolarHBondContact N-O 3.49Å; V698-T710 HydrophobicContact CG2-CG2 4Å; V698-P713 HydrophobicContact CG1-CG 4.03Å
699P98.1Very high95.3Very high12 Ų1238.5 Ų38.58%0.07818%0.179CC..  trans-57.1143175.6-25.735.9000112.1Q576 V580 Q706 L709Q576-P699 HydrophobicContact CB-CB 4.14Å; Q576-P699 HydrophobicContact CB-CG 4.28Å; Q576-P699 HydrophobicContact CG-CB 4Å; V580-P699 HydrophobicContact CG2-CG 4.31Å; P699-Q706 PolarHBondContact O-NE2 3.21Å; P699-L709 HydrophobicContact CB-CD1 4.41Å; P699-L709 WeakPolarHBondContact O-CD1 3.46Å
700Y97.7Very high95.5Very high100 Ų10038.3 Ų38.339%0.39218%0.178SC..  trans-73.1135.9172.1175.1-91.8000110.9Q576 K655 D681 C683Q576-Y700 PolarHBondContact NE2-O 3.43Å; K655-Y700 HydrophobicContact CB-CE2 4.46Å; D681-Y700 HydrophobicContact CB-CD2 4.46Å; C683-Y700 HydrophobicContact CB-CD2 4.1Å; C683-Y700 VanDerWaalsContact SG-CB 3.58Å; C683-Y700 VanDerWaalsContact SG-CG 3.54Å
701T97.1Very high95.9Very high6 Ų636 Ų364%0.03717%0.166CC..  trans-141.4-178.3171.4-162.80000109.9Q576 D703 L705 Q706 L709Q576-T701 PolarHBondContact OE1-OG1 3.21Å; T701-D703 PolarHBondContact O-N 2.75Å; T701-L705 HydrophobicContact CG2-CB 3.96Å; T701-Q706 HydrophobicContact CG2-CB 4.24Å; T701-Q706 PolarHBondContact O-OE1 2.79Å; T701-L709 HydrophobicContact CG2-CD1 3.75Å; T701-L709 HydrophobicContact CG2-CG 4.43Å
702T96.7Very high96.5Very high9 Ų928.8 Ų28.86%0.05513%0.128CC..  trans-58.7136.5174.9-660000110.1R562 E565 I566 A569 C704 L705 Q706R562-T702 VanDerWaalsContact NH1-CG2 3.28Å; E565-T702 VanDerWaalsContact OE1-CG2 3.25Å; E565-T702 WeakPolarHBondContact OE1-CG2 3.28Å; E565-T702 PolarHBondContact OE1-OG1 2.89Å; I566-T702 HydrophobicContact CG1-CG2 3.97Å; A569-T702 WeakPolarHBondContact CB-OG1 3.35Å; T702-C704 VanDerWaalsContact C-N 3.29Å; T702-C704 PolarHBondContact O-N 2.91Å; T702-C704 VanDerWaalsContact O-N 3.13Å; T702-L705 WeakPolarHBondContact O-CA 3.32Å; T702-L705 WeakPolarHBondContact O-CB 3.37Å; T702-L705 PolarHBondContact O-N 3.39Å; T702-Q706 PolarHBondContact O-N 2.91Å; T702-Q706 VanDerWaalsContact O-N 3.11Å
703D97.2Very high97Very high33 Ų3327.6 Ų27.618%0.17612%0.122CC..Hα-helixtrans-47.7-43.2-17360.7-17.4000114.8R562 Y607 D656 T701 L705 Q706R562-D703 IonicContact CZ-OD1 3.51Å; R562-D703 VanDerWaalsContact CZ-OD1 3.31Å; R562-D703 IonicContact NH1-OD1 3.67Å; R562-D703 PolarHBondContact NH1-OD1 3.41Å; R562-D703 VanDerWaalsContact NH1-OD1 3.07Å; R562-D703 IonicContact NH2-OD1 2.73Å; R562-D703 PolarHBondContact NH2-OD1 2.79Å; R562-D703 IonicContact NH2-OD2 3.5Å; Y607-D703 HydrophobicContact CD2-CB 4.13Å; Y607-D703 HydrophobicContact CE2-CB 4.13Å; D656-D703 HydrophobicContact CB-CB 4.04Å; T701-D703 PolarHBondContact O-N 2.75Å; D703-L705 PolarHBondContact O-N 3.48Å; D703-Q706 WeakPolarHBondContact O-CB 3.35Å; D703-Q706 PolarHBondContact O-N 3.13Å
704C97.4Very high97.5Very high1 Ų117.9 Ų17.91%0.0078%0.08CC..Hα-helixtrans-70.7-12.8179.168.80000114.8I447 Y607 T702I447-C704 HydrophobicContact CB-CB 3.95Å; I447-C704 HydrophobicContact CD1-CB 3.87Å; I447-C704 HydrophobicContact CG1-CB 3.94Å; Y607-C704 HydrophobicContact CD1-CB 4.27Å; Y607-C704 HydrophobicContact CE1-CB 3.62Å; Y607-C704 HydrophobicContact CE2-CB 4.18Å; T702-C704 VanDerWaalsContact C-N 3.29Å; T702-C704 PolarHBondContact O-N 2.91Å; T702-C704 VanDerWaalsContact O-N 3.13Å
705L98.2Very high97.7Very high0 Ų014.8 Ų14.80%07%0.068CC..Hα-helixtrans-105.8-13176.1-61177.3000112.6V546 I566 A569 L570 T701 T702 D703 N707 L708V546-L705 HydrophobicContact CG1-CD2 4.07Å; V546-L705 HydrophobicContact CG2-CD2 4.04Å; I566-L705 HydrophobicContact CG2-CD1 4.29Å; A569-L705 HydrophobicContact CB-CD1 3.67Å; L570-L705 HydrophobicContact CD2-CD1 3.72Å; L570-L705 HydrophobicContact CD2-CD2 3.74Å; L570-L705 HydrophobicContact CD2-CG 4.41Å; L570-L705 HydrophobicContact CG-CD1 4.12Å; T701-L705 HydrophobicContact CG2-CB 3.96Å; T702-L705 WeakPolarHBondContact O-CA 3.32Å; T702-L705 WeakPolarHBondContact O-CB 3.37Å; T702-L705 PolarHBondContact O-N 3.39Å; D703-L705 PolarHBondContact O-N 3.48Å; L705-N707 PolarHBondContact O-N 3.44Å; L705-N707 VanDerWaalsContact O-N 3.17Å; L705-L708 HydrophobicContact CD2-CD1 3.95Å; L705-L708 VanDerWaalsContact O-CB 3.29Å; L705-L708 WeakPolarHBondContact O-CB 3.12Å; L705-L708 PolarHBondContact O-N 3.5Å
706Q98.2Very high97.8Very high4 Ų412.9 Ų12.92%0.0196%0.056CC..Hα-helixtrans-60.8-30.1-174.6-166.46657.400112.2C654 P699 T701 T702 D703 L708 L709 T710C654-Q706 HydrophobicContact CB-CG 4.06Å; C654-Q706 VanDerWaalsContact SG-CG 3.56Å; P699-Q706 PolarHBondContact O-NE2 3.21Å; T701-Q706 HydrophobicContact CG2-CB 4.24Å; T701-Q706 PolarHBondContact O-OE1 2.79Å; T702-Q706 PolarHBondContact O-N 2.91Å; T702-Q706 VanDerWaalsContact O-N 3.11Å; D703-Q706 WeakPolarHBondContact O-CB 3.35Å; D703-Q706 PolarHBondContact O-N 3.13Å; Q706-L708 PolarHBondContact O-N 3.31Å; Q706-L709 PolarHBondContact O-N 2.98Å; Q706-T710 HydrophobicContact CG-CG2 4.2Å; Q706-T710 WeakPolarHBondContact O-CG2 3.48Å; Q706-T710 PolarHBondContact O-N 2.98Å; Q706-T710 PolarHBondContact O-OG1 2.84Å
707N97.5Very high97.8Very high0 Ų012.8 Ų12.80%06%0.056CC..Hα-helixtrans-64.4-24.3176.463.56.4000114Y607 T611 L705 L709 T710 I711Y607-N707 WeakPolarHBondContact O-CB 3.04Å; Y607-N707 PolarHBondContact O-ND2 2.65Å; T611-N707 WeakPolarHBondContact OG1-CB 3.37Å; L705-N707 PolarHBondContact O-N 3.44Å; L705-N707 VanDerWaalsContact O-N 3.17Å; N707-L709 VanDerWaalsContact C-N 3.27Å; N707-T710 WeakPolarHBondContact CA-OG1 3.33Å; N707-I711 WeakPolarHBondContact O-CB 3.47Å; N707-I711 VanDerWaalsContact O-CG2 3.32Å; N707-I711 WeakPolarHBondContact O-CG2 3.4Å; N707-I711 PolarHBondContact O-N 2.83Å
708L98.2Very high97.8Very high0 Ų08.5 Ų8.50%04%0.04CC..Hα-helixtrans-69.3-28.5173.2-63.3172.7000111.4T539 I542 L573 M577 L705 Q706T539-L708 HydrophobicContact CG2-CD2 4.08Å; T539-L708 WeakPolarHBondContact O-CD2 3.4Å; I542-L708 HydrophobicContact CB-CD2 3.77Å; I542-L708 HydrophobicContact CD1-CD2 4.09Å; I542-L708 HydrophobicContact CG2-CD2 3.75Å; I542-L708 HydrophobicContact CG2-CG 4.2Å; L573-L708 HydrophobicContact CD1-CB 4.4Å; L573-L708 HydrophobicContact CD2-CD1 3.57Å; M577-L708 HydrophobicContact CE-CB 4.36Å; M577-L708 WeakPolarHBondContact CE-O 3.48Å; L705-L708 HydrophobicContact CD2-CD1 3.95Å; L705-L708 VanDerWaalsContact O-CB 3.29Å; L705-L708 WeakPolarHBondContact O-CB 3.12Å; L705-L708 PolarHBondContact O-N 3.5Å; Q706-L708 PolarHBondContact O-N 3.31Å
709L98.5Very high97.8Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-89.4-42.7178-60.7-177.7000111.7L573 Q576 M577 V580 P699 T701 Q706 N707 I711 V712 P713L573-L709 HydrophobicContact CD1-CD2 3.89Å; L573-L709 HydrophobicContact CD1-CG 4.12Å; Q576-L709 HydrophobicContact CB-CD1 4.02Å; Q576-L709 HydrophobicContact CB-CD2 4.03Å; M577-L709 HydrophobicContact CB-CD2 4.13Å; M577-L709 HydrophobicContact CE-CD2 4.29Å; V580-L709 HydrophobicContact CG2-CB 4.21Å; V580-L709 HydrophobicContact CG2-CD2 4.16Å; P699-L709 HydrophobicContact CB-CD1 4.41Å; P699-L709 WeakPolarHBondContact O-CD1 3.46Å; T701-L709 HydrophobicContact CG2-CD1 3.75Å; T701-L709 HydrophobicContact CG2-CG 4.43Å; Q706-L709 PolarHBondContact O-N 2.98Å; N707-L709 VanDerWaalsContact C-N 3.27Å; L709-I711 VanDerWaalsContact C-N 3.28Å; L709-I711 PolarHBondContact O-N 3.11Å; L709-V712 PolarHBondContact O-N 2.95Å; L709-P713 VanDerWaalsContact O-CD 3.28Å; L709-P713 WeakPolarHBondContact O-CD 3.41Å
710T98.3Very high97.8Very high0 Ų08.3 Ų8.30%04%0.038CC..Hα-helixtrans-71.2-19.9-176.3580000113.9N608 V652 I679 V698 Q706 N707 P713N608-T710 PolarHBondContact OD1-OG1 3.34Å; V652-T710 HydrophobicContact CG1-CG2 3.81Å; I679-T710 HydrophobicContact CG2-CG2 4.24Å; V698-T710 HydrophobicContact CG2-CG2 4Å; Q706-T710 HydrophobicContact CG-CG2 4.2Å; Q706-T710 WeakPolarHBondContact O-CG2 3.48Å; Q706-T710 PolarHBondContact O-N 2.98Å; Q706-T710 PolarHBondContact O-OG1 2.84Å; N707-T710 WeakPolarHBondContact CA-OG1 3.33Å; T710-P713 WeakPolarHBondContact O-CD 3.29Å
711I98.3Very high97.7Very high0 Ų03.5 Ų3.50%02%0.019CC..Hα-helixtrans-74.3-29.5175.9-168.559.6000113.1Y538 T539 T611 E614 N707 L709 L714 Q715Y538-I711 HydrophobicContact CD1-CG1 4.22Å; Y538-I711 HydrophobicContact CD1-CG2 4.44Å; Y538-I711 HydrophobicContact CE1-CB 4.16Å; Y538-I711 HydrophobicContact CE1-CD1 4.47Å; Y538-I711 HydrophobicContact CE1-CG1 3.76Å; Y538-I711 HydrophobicContact CE1-CG2 4.09Å; T539-I711 HydrophobicContact CG2-CG2 4.07Å; T611-I711 HydrophobicContact CG2-CB 4.17Å; T611-I711 HydrophobicContact CG2-CD1 3.97Å; E614-I711 HydrophobicContact CB-CD1 3.96Å; E614-I711 HydrophobicContact CG-CD1 3.78Å; E614-I711 HydrophobicContact CG-CG1 4.33Å; N707-I711 WeakPolarHBondContact O-CB 3.47Å; N707-I711 VanDerWaalsContact O-CG2 3.32Å; N707-I711 WeakPolarHBondContact O-CG2 3.4Å; N707-I711 PolarHBondContact O-N 2.83Å; L709-I711 VanDerWaalsContact C-N 3.28Å; L709-I711 PolarHBondContact O-N 3.11Å; I711-L714 HydrophobicContact CD1-CB 4.35Å; I711-L714 WeakPolarHBondContact O-CB 3.35Å; I711-L714 PolarHBondContact O-N 3.01Å; I711-Q715 HydrophobicContact CG1-CG 4.16Å; I711-Q715 PolarHBondContact O-N 3.32Å
712V98.3Very high97.6Very high0 Ų03.2 Ų3.20%02%0.017CC..Hα-helixtrans-62-46.6-173.2177.40000112.1I389 M577 V580 L581 L709 L714 Q715 L716I389-V712 HydrophobicContact CG2-CG1 4.49Å; M577-V712 HydrophobicContact CE-CG2 4.01Å; M577-V712 HydrophobicContact CG-CG2 4.3Å; M577-V712 HydrophobicContact SD-CG2 4.39Å; V580-V712 HydrophobicContact CG1-CB 3.76Å; V580-V712 HydrophobicContact CG1-CG1 3.91Å; L581-V712 HydrophobicContact CD2-CG1 3.57Å; L581-V712 HydrophobicContact CG-CG1 4.2Å; L709-V712 PolarHBondContact O-N 2.95Å; V712-L714 PolarHBondContact O-N 3.19Å; V712-Q715 PolarHBondContact O-N 3.06Å; V712-L716 HydrophobicContact CG1-CD1 4.3Å; V712-L716 WeakPolarHBondContact O-CG 3.37Å; V712-L716 PolarHBondContact O-N 3.11Å
713P98.3Very high97.5Very high1 Ų15.5 Ų5.51%0.0063%0.027CC..Hα-helixtrans-60.7-30.1174.6-23.634.8000113.2V580 V587 I679 I696 V698 L709 T710 L717V580-P713 HydrophobicContact CG1-CG 3.76Å; V587-P713 HydrophobicContact CG2-CB 4.08Å; I679-P713 HydrophobicContact CD1-CB 4.1Å; I696-P713 HydrophobicContact CD1-CB 4.27Å; I696-P713 HydrophobicContact CG2-CB 4.21Å; I696-P713 HydrophobicContact CG2-CG 4.08Å; V698-P713 HydrophobicContact CG1-CG 4.03Å; L709-P713 VanDerWaalsContact O-CD 3.28Å; L709-P713 WeakPolarHBondContact O-CD 3.41Å; T710-P713 WeakPolarHBondContact O-CD 3.29Å; P713-L717 VanDerWaalsContact O-CB 3.28Å; P713-L717 WeakPolarHBondContact O-CB 3.38Å; P713-L717 PolarHBondContact O-N 3.01Å
714L98.2Very high97.4Very high2 Ų27.1 Ų7.11%0.014%0.035CC..Hα-helixtrans-77.5-33.9179-65.4165.2000112.2T611 A615 V650 V652 I679 I711 V712 L717 S718T611-L714 HydrophobicContact CG2-CD1 3.59Å; A615-L714 HydrophobicContact CB-CB 3.69Å; A615-L714 HydrophobicContact CB-CD1 3.6Å; A615-L714 HydrophobicContact CB-CD2 4.05Å; A615-L714 HydrophobicContact CB-CG 3.96Å; V650-L714 HydrophobicContact CG1-CD2 3.81Å; V652-L714 HydrophobicContact CG2-CD1 4.15Å; I679-L714 HydrophobicContact CD1-CD1 4Å; I679-L714 HydrophobicContact CD1-CD2 3.52Å; I679-L714 HydrophobicContact CD1-CG 3.5Å; I711-L714 HydrophobicContact CD1-CB 4.35Å; I711-L714 WeakPolarHBondContact O-CB 3.35Å; I711-L714 PolarHBondContact O-N 3.01Å; V712-L714 PolarHBondContact O-N 3.19Å; L714-L717 HydrophobicContact CD2-CD2 4.17Å; L714-L717 PolarHBondContact O-N 2.87Å; L714-S718 WeakPolarHBondContact O-CB 3.45Å; L714-S718 PolarHBondContact O-N 3.4Å; L714-S718 PolarHBondContact O-OG 3.44Å
715Q98.2Very high97.1Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-63.6-45.7169.2-68.7168.4-16.400110.7I389 I711 V712 S718 Y719I389-Q715 HydrophobicContact CD1-CB 3.92Å; I389-Q715 HydrophobicContact CG1-CB 4.12Å; I711-Q715 HydrophobicContact CG1-CG 4.16Å; I711-Q715 PolarHBondContact O-N 3.32Å; V712-Q715 PolarHBondContact O-N 3.06Å; Q715-S718 WeakPolarHBondContact O-CB 3.42Å; Q715-S718 PolarHBondContact O-N 3.08Å; Q715-Y719 WeakPolarHBondContact O-CB 3.44Å; Q715-Y719 PolarHBondContact O-N 2.6Å
716L98Very high96.8Very high1 Ų112.9 Ų12.91%0.0058%0.083CC..Hα-helixtrans-61.9-42.3175.2-68.2173.2000111.7I389 F390 D584 V587 V712 S718 Y719 H720I389-L716 HydrophobicContact CD1-CD2 4.48Å; I389-L716 HydrophobicContact CG2-CD2 3.71Å; I389-L716 HydrophobicContact CG2-CG 4.13Å; F390-L716 HydrophobicContact CE2-CD2 3.76Å; F390-L716 HydrophobicContact CZ-CD2 4.34Å; D584-L716 HydrophobicContact CB-CD1 4.32Å; V587-L716 HydrophobicContact CB-CB 4.36Å; V587-L716 HydrophobicContact CG1-CB 3.85Å; V712-L716 HydrophobicContact CG1-CD1 4.3Å; V712-L716 WeakPolarHBondContact O-CG 3.37Å; V712-L716 PolarHBondContact O-N 3.11Å; L716-S718 VanDerWaalsContact C-N 3.34Å; L716-S718 PolarHBondContact O-N 3.13Å; L716-Y719 WeakPolarHBondContact O-CB 3.34Å; L716-Y719 PolarHBondContact O-N 3.44Å; L716-H720 PolarHBondContact O-CD2 2.68Å; L716-H720 PolarHBondContact O-N 2.82Å
717L97.6Very high96.4Very high9 Ų917.1 Ų17.15%0.04710%0.099CC..Hα-helixtrans-57.4-49.3175.2-17768.1000110.4V587 S591 I594 M600 V650 P713 L714 Y719 H720 L721V587-L717 HydrophobicContact CG1-CB 3.87Å; V587-L717 HydrophobicContact CG1-CD1 4.29Å; V587-L717 VanDerWaalsContact CG1-N 3.3Å; S591-L717 WeakPolarHBondContact OG-CD1 3.47Å; I594-L717 HydrophobicContact CD1-CD1 3.79Å; I594-L717 HydrophobicContact CD1-CD2 4.42Å; I594-L717 HydrophobicContact CD1-CG 4.42Å; M600-L717 HydrophobicContact CE-CD2 4.15Å; M600-L717 HydrophobicContact SD-CD2 4.33Å; V650-L717 HydrophobicContact CG2-CD2 4.18Å; P713-L717 VanDerWaalsContact O-CB 3.28Å; P713-L717 WeakPolarHBondContact O-CB 3.38Å; P713-L717 PolarHBondContact O-N 3.01Å; L714-L717 HydrophobicContact CD2-CD2 4.17Å; L714-L717 PolarHBondContact O-N 2.87Å; L717-Y719 VanDerWaalsContact C-N 3.33Å; L717-Y719 PolarHBondContact O-N 3.26Å; L717-H720 PolarHBondContact O-N 3.06Å; L717-L721 HydrophobicContact CD1-CD1 4.42Å; L717-L721 HydrophobicContact CG-CD1 4.05Å; L717-L721 WeakPolarHBondContact O-CB 3.01Å; L717-L721 WeakPolarHBondContact O-CG 3.42Å; L717-L721 PolarHBondContact O-N 3.22Å
718S96.9Very high96Very high0 Ų020.4 Ų20.40%012%0.116CC..Hα-helixtrans-60.6-42.7178.5-51.90000112K618 V619 L714 Q715 L716 A722K618-S718 WeakPolarHBondContact CB-OG 3.49Å; V619-S718 WeakPolarHBondContact CG2-OG 3.32Å; L714-S718 WeakPolarHBondContact O-CB 3.45Å; L714-S718 PolarHBondContact O-N 3.4Å; L714-S718 PolarHBondContact O-OG 3.44Å; Q715-S718 WeakPolarHBondContact O-CB 3.42Å; Q715-S718 PolarHBondContact O-N 3.08Å; L716-S718 VanDerWaalsContact C-N 3.34Å; L716-S718 PolarHBondContact O-N 3.13Å; S718-A722 WeakPolarHBondContact O-CB 3.3Å; S718-A722 PolarHBondContact O-N 3.28Å; S718-A722 VanDerWaalsContact O-N 3.14Å
719Y97.3Very high95.5Very high4 Ų420.7 Ų20.72%0.01612%0.118CC..Hα-helixtrans-61.2-52.2176.3170.8-95.7000112T383 Q386 Q715 L716 L717 L721 A722 E723 V729T383-Y719 HydrophobicContact CG2-CE2 4.41Å; T383-Y719 VanDerWaalsContact OG1-CE2 3.28Å; T383-Y719 WeakPolarHBondContact OG1-CE2 3.22Å; Q386-Y719 HydrophobicContact CB-CD2 4.47Å; Q386-Y719 HydrophobicContact CB-CE2 3.78Å; Q386-Y719 HydrophobicContact CG-CE2 4.5Å; Q715-Y719 WeakPolarHBondContact O-CB 3.44Å; Q715-Y719 PolarHBondContact O-N 2.6Å; L716-Y719 WeakPolarHBondContact O-CB 3.34Å; L716-Y719 PolarHBondContact O-N 3.44Å; L717-Y719 VanDerWaalsContact C-N 3.33Å; L717-Y719 PolarHBondContact O-N 3.26Å; Y719-L721 PolarHBondContact O-N 2.82Å; Y719-A722 PolarHBondContact O-N 2.86Å; Y719-E723 PolarHBondContact O-N 2.93Å; Y719-V729 HydrophobicContact CD2-CB 4.27Å; Y719-V729 HydrophobicContact CD2-CG1 3.98Å; Y719-V729 HydrophobicContact CD2-CG2 4.23Å; Y719-V729 HydrophobicContact CE2-CB 4.43Å; Y719-V729 HydrophobicContact CE2-CG1 4.26Å; Y719-V729 HydrophobicContact CE2-CG2 3.91Å
720H97.6Very high95Very high4 Ų421.2 Ų21.22%0.01912%0.121CC..Hα-helixtrans-66.2-38.5-179-74.2-57.2000112.1D584 S591 L716 L717 A722 E723 L724D584-H720 IonicContact OD1-CD2 3.63Å; D584-H720 IonicContact OD1-CE1 3.72Å; D584-H720 PolarHBondContact OD1-CE1 2.7Å; D584-H720 IonicContact OD1-NE2 3.85Å; D584-H720 PolarHBondContact OD1-NE2 3.14Å; S591-H720 WeakPolarHBondContact OG-CB 3.44Å; L716-H720 PolarHBondContact O-CD2 2.68Å; L716-H720 PolarHBondContact O-N 2.82Å; L717-H720 PolarHBondContact O-N 3.06Å; H720-A722 VanDerWaalsContact C-N 3.29Å; H720-A722 PolarHBondContact O-N 2.86Å; H720-E723 PolarHBondContact O-N 3.46Å; H720-L724 VanDerWaalsContact O-CB 3.3Å; H720-L724 WeakPolarHBondContact O-CB 3.48Å; H720-L724 WeakPolarHBondContact O-CG 3.46Å; H720-L724 PolarHBondContact O-N 3.39Å
721L96.6Very high94.1Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-59.9-41.5174.1-72.8171.8000112I594 C595 V619 M625 L717 Y719 N725I594-L721 HydrophobicContact CD1-CD1 4.14Å; I594-L721 HydrophobicContact CD1-CD2 4.06Å; I594-L721 HydrophobicContact CG1-CD2 3.57Å; C595-L721 HydrophobicContact CB-CD2 4Å; V619-L721 HydrophobicContact CG1-CD1 4.4Å; M625-L721 HydrophobicContact CE-CD1 4.39Å; M625-L721 HydrophobicContact CE-CD2 4.32Å; L717-L721 HydrophobicContact CD1-CD1 4.42Å; L717-L721 HydrophobicContact CG-CD1 4.05Å; L717-L721 WeakPolarHBondContact O-CB 3.01Å; L717-L721 WeakPolarHBondContact O-CG 3.42Å; L717-L721 PolarHBondContact O-N 3.22Å; Y719-L721 PolarHBondContact O-N 2.82Å; L721-N725 VanDerWaalsContact O-CB 3.27Å; L721-N725 WeakPolarHBondContact O-CB 3.45Å; L721-N725 PolarHBondContact O-N 2.72Å; L721-N725 PolarHBondContact O-ND2 3.48Å
722A94.9Very high93.3Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-68.3-43.2176.700000112.2L622 S718 Y719 H720 N725 G726 R727 V729L622-A722 HydrophobicContact CB-CB 3.87Å; L622-A722 WeakPolarHBondContact O-CB 3.49Å; S718-A722 WeakPolarHBondContact O-CB 3.3Å; S718-A722 PolarHBondContact O-N 3.28Å; S718-A722 VanDerWaalsContact O-N 3.14Å; Y719-A722 PolarHBondContact O-N 2.86Å; H720-A722 VanDerWaalsContact C-N 3.29Å; H720-A722 PolarHBondContact O-N 2.86Å; A722-N725 CarbonylContact O-C 3.51Å; A722-N725 PolarHBondContact O-N 3.13Å; A722-G726 PolarHBondContact O-N 2.79Å; A722-R727 HydrophobicContact CB-CB 4.19Å; A722-R727 WeakPolarHBondContact O-CB 3.3Å; A722-R727 PolarHBondContact O-N 3.45Å; A722-V729 HydrophobicContact CB-CG1 3.45Å; A722-V729 VanDerWaalsContact CB-CG1 3.45Å
723E94.3Very high92.2Very high57 Ų5729.2 Ų29.227%0.26615%0.151SC..Hα-helixtrans-60.8-48.6175.8-167.6-173.7-15100111R382 Y719 H720 N725 G726R382-E723 IonicContact NH1-OE1 3.24Å; R382-E723 PolarHBondContact NH1-OE1 3.27Å; Y719-E723 PolarHBondContact O-N 2.93Å; H720-E723 PolarHBondContact O-N 3.46Å; E723-N725 VanDerWaalsContact C-N 3.27Å; E723-N725 PolarHBondContact O-N 3.12Å; E723-G726 PolarHBondContact O-N 3.39Å
724L94.6Very high91Very high66 Ų6634.9 Ų34.935%0.34618%0.181SC..Hα-helixtrans-62-33.9179-70.7169.3000112.4K592 C595 H720 G726K592-L724 HydrophobicContact CB-CD1 4.49Å; K592-L724 HydrophobicContact CG-CD1 3.92Å; K592-L724 HydrophobicContact CG-CD2 4.14Å; C595-L724 HydrophobicContact CB-CB 4.16Å; C595-L724 HydrophobicContact CB-CD1 4.17Å; H720-L724 VanDerWaalsContact O-CB 3.3Å; H720-L724 WeakPolarHBondContact O-CB 3.48Å; H720-L724 WeakPolarHBondContact O-CG 3.46Å; H720-L724 PolarHBondContact O-N 3.39Å; L724-G726 VanDerWaalsContact C-N 3.26Å; L724-G726 PolarHBondContact O-N 3.37Å
725N91.5Very high89.8Confident53 Ų5337.7 Ų37.728%0.28320%0.196SC..THydrogen-bonded Turntrans-85.89.6176.3-73.7-28.9000113.7C595 L721 A722 E723 R727C595-N725 PolarHBondContact O-ND2 3.33Å; C595-N725 PolarHBondContact O-OD1 2.77Å; L721-N725 VanDerWaalsContact O-CB 3.27Å; L721-N725 WeakPolarHBondContact O-CB 3.45Å; L721-N725 PolarHBondContact O-N 2.72Å; L721-N725 PolarHBondContact O-ND2 3.48Å; A722-N725 CarbonylContact O-C 3.51Å; A722-N725 PolarHBondContact O-N 3.13Å; E723-N725 VanDerWaalsContact C-N 3.27Å; E723-N725 PolarHBondContact O-N 3.12Å; N725-R727 HydrophobicContact CB-CG 3.98Å; N725-R727 WeakPolarHBondContact O-CD 3.19Å; N725-R727 PolarHBondContact O-N 3.34Å
726G91.2Very high88.4Confident70 Ų7038.1 Ų38.172%0.72220%0.199SC*.THydrogen-bonded Turntrans62.528.6178.200000113.5A722 E723 L724A722-G726 PolarHBondContact O-N 2.79Å; E723-G726 PolarHBondContact O-N 3.39Å; L724-G726 VanDerWaalsContact C-N 3.26Å; L724-G726 PolarHBondContact O-N 3.37Å
727R91Very high87.3Confident93 Ų9339.3 Ų39.335%0.35121%0.205SC..  trans-90.8154.7179.8-51.6-48-167.6-177.1-4.6110.6L622 Y624 A722 N725 V729L622-R727 WeakPolarHBondContact O-CB 3.36Å; Y624-R727 HydrophobicContact CD2-CG 4.23Å; Y624-R727 HydrophobicContact CE2-CB 4.41Å; Y624-R727 HydrophobicContact CE2-CG 3.97Å; A722-R727 HydrophobicContact CB-CB 4.19Å; A722-R727 WeakPolarHBondContact O-CB 3.3Å; A722-R727 PolarHBondContact O-N 3.45Å; N725-R727 HydrophobicContact CB-CG 3.98Å; N725-R727 WeakPolarHBondContact O-CD 3.19Å; N725-R727 PolarHBondContact O-N 3.34Å; R727-V729 PolarHBondContact O-N 2.87Å
728N87.6Confident85.8Confident68 Ų6839.8 Ų39.836%0.36421%0.208SC..  trans-88.5104.1176.1-170.4-15.4000109.8D730 R731N728-D730 PolarHBondContact OD1-N 3.03Å; N728-R731 HydrophobicContact CB-CB 4.5Å; N728-R731 CarbonylContact O-C 3.54Å; N728-R731 PolarHBondContact O-N 2.89Å; N728-R731 PolarHBondContact OD1-N 2.76Å
729V89.3Confident84.6Confident7 Ų742.4 Ų42.44%0.04222%0.224CC..SBendtrans-67.5-34.9-178.3-66.60000114T383 M385 L622 Y719 A722 R727 R731T383-V729 HydrophobicContact CG2-CG2 3.45Å; T383-V729 VanDerWaalsContact CG2-CG2 3.45Å; M385-V729 HydrophobicContact SD-CB 4.42Å; L622-V729 HydrophobicContact CD2-CB 4.44Å; L622-V729 VanDerWaalsContact CD2-O 3.31Å; L622-V729 WeakPolarHBondContact CD2-O 3.13Å; Y719-V729 HydrophobicContact CD2-CB 4.27Å; Y719-V729 HydrophobicContact CD2-CG1 3.98Å; Y719-V729 HydrophobicContact CD2-CG2 4.23Å; Y719-V729 HydrophobicContact CE2-CB 4.43Å; Y719-V729 HydrophobicContact CE2-CG1 4.26Å; Y719-V729 HydrophobicContact CE2-CG2 3.91Å; A722-V729 HydrophobicContact CB-CG1 3.45Å; A722-V729 VanDerWaalsContact CB-CG1 3.45Å; R727-V729 PolarHBondContact O-N 2.87Å; V729-R731 PolarHBondContact O-N 3.11Å
730D86.1Confident82.9Confident10 Ų1043.3 Ų43.35%0.05323%0.23CC..SBendtrans-72.9-23.9179.2-72.3-23000110.9K378 T383 F384 M385 V532 N728K378-D730 WeakPolarHBondContact CE-OD2 3.35Å; K378-D730 IonicContact NZ-OD2 3.15Å; K378-D730 PolarHBondContact NZ-OD2 2.95Å; T383-D730 WeakPolarHBondContact CA-OD2 3.41Å; T383-D730 WeakPolarHBondContact CB-OD1 3.34Å; T383-D730 WeakPolarHBondContact CB-OD2 3.47Å; F384-D730 WeakPolarHBondContact CA-OD1 3.45Å; F384-D730 WeakPolarHBondContact CB-OD1 2.84Å; F384-D730 VanDerWaalsContact N-CG 3.32Å; F384-D730 PolarHBondContact N-OD1 2.86Å; F384-D730 PolarHBondContact N-OD2 3.02Å; M385-D730 PolarHBondContact N-OD1 3.49Å; V532-D730 VanDerWaalsContact CG2-O 3.29Å; V532-D730 WeakPolarHBondContact CG2-O 3.27Å; V532-D730 PolarHBondContact N-O 2.82Å; N728-D730 PolarHBondContact OD1-N 3.03Å
731R80.1Confident81.2Confident50 Ų5043.7 Ų43.719%0.18923%0.233CC..SBendtrans-143.467.2-166.3-70.4-170.6-163.8163.76.3111.8E34 Y38 N728 V729E34-R731 VanDerWaalsContact CD-CZ 3.47Å; E34-R731 IonicContact OE1-NH1 3.72Å; E34-R731 PolarHBondContact OE1-NH1 3.05Å; E34-R731 IonicContact OE2-CZ 3.74Å; E34-R731 IonicContact OE2-NH1 2.63Å; E34-R731 PolarHBondContact OE2-NH1 2.83Å; E34-R731 IonicContact OE2-NH2 2.7Å; E34-R731 PolarHBondContact OE2-NH2 3.32Å; Y38-R731 HydrophobicContact CD1-CB 4.3Å; Y38-R731 HydrophobicContact CD1-CG 3.87Å; Y38-R731 HydrophobicContact CD2-CB 3.94Å; Y38-R731 HydrophobicContact CD2-CG 4.29Å; Y38-R731 HydrophobicContact CE1-CB 3.72Å; Y38-R731 HydrophobicContact CE1-CG 3.5Å; Y38-R731 VanDerWaalsContact CE1-CG 3.5Å; Y38-R731 HydrophobicContact CE2-CB 3.39Å; Y38-R731 HydrophobicContact CE2-CG 4.05Å; Y38-R731 HydrophobicContact CG-CB 4.42Å; Y38-R731 HydrophobicContact CG-CG 4.28Å; Y38-R731 WeakPolarHBondContact OH-CA 3.37Å; N728-R731 HydrophobicContact CB-CB 4.5Å; N728-R731 CarbonylContact O-C 3.54Å; N728-R731 PolarHBondContact O-N 2.89Å; N728-R731 PolarHBondContact OD1-N 2.76Å; V729-R731 PolarHBondContact O-N 3.11Å
732P81.3Confident79.1Confident0 Ų051.4 Ų51.40%027%0.269CS..  trans-61151.2176.826.6-32.3000111.2Y38 V532 E621 Y624 L735Y38-P732 WeakPolarHBondContact OH-CD 3.38Å; Y38-P732 PolarHBondContact OH-O 3.42Å; V532-P732 HydrophobicContact CB-CG 3.95Å; V532-P732 HydrophobicContact CG1-CG 3.67Å; E621-P732 WeakPolarHBondContact O-CB 3.45Å; Y624-P732 HydrophobicContact CE1-CB 4.39Å; P732-L735 HydrophobicContact CB-CD1 4.27Å; P732-L735 HydrophobicContact CG-CB 4.21Å; P732-L735 HydrophobicContact CG-CD1 4.11Å
733R76.4Confident78.3Confident119 Ų11954 Ų5445%0.44928%0.282SS..THydrogen-bonded Turntrans-68.1149.4-177.274.4-169170.7160.10.8110.9S40 Y624 L735S40-R733 WeakPolarHBondContact OG-CA 3.42Å; Y624-R733 HydrophobicContact CD1-CG 4.34Å; Y624-R733 HydrophobicContact CE1-CB 4.5Å; Y624-R733 HydrophobicContact CE1-CG 3.6Å; Y624-R733 HydrophobicContact CE2-CG 4.07Å; Y624-R733 VanDerWaalsContact CZ-CG 3.46Å; Y624-R733 WeakPolarHBondContact OH-CG 3.22Å; Y624-R733 PolarHBondContact OH-N 3.28Å; R733-L735 PolarHBondContact O-N 3.1Å; R733-L735 VanDerWaalsContact O-N 3.08Å
734N73.4Confident77.5Confident120 Ų12053.8 Ų53.864%0.64228%0.283SS*.THydrogen-bonded Turntrans61.48.1175.9-50.6-27.4000115.6S40S40-N734 PolarHBondContact OG-N 3.01Å
735L72.5Confident76.5Confident61 Ų6153.1 Ų53.132%0.31928%0.28SS..  trans-128.3158.4-178.3-61.6174.1000109Y38 V532 E621 P732 R733Y38-L735 PolarHBondContact OH-O 2.99Å; V532-L735 HydrophobicContact CG1-CB 4.18Å; E621-L735 HydrophobicContact CB-CD1 4.09Å; E621-L735 HydrophobicContact CG-CD1 3.84Å; P732-L735 HydrophobicContact CB-CD1 4.27Å; P732-L735 HydrophobicContact CG-CB 4.21Å; P732-L735 HydrophobicContact CG-CD1 4.11Å; R733-L735 PolarHBondContact O-N 3.1Å; R733-L735 VanDerWaalsContact O-N 3.08Å
736A67.8Low75.6Confident9 Ų953.1 Ų53.17%0.07428%0.279CS..  trans-148.2176.8161.400000109.2F4 R36 W115 S738F4-A736 HydrophobicContact CB-CB 3.65Å; F4-A736 HydrophobicContact CD1-CB 3.11Å; F4-A736 HydrophobicContact CD2-CB 3.68Å; F4-A736 HydrophobicContact CE1-CB 3.44Å; F4-A736 VanDerWaalsContact CE1-CB 3.44Å; F4-A736 WeakPolarHBondContact CE1-O 3.38Å; F4-A736 HydrophobicContact CE2-CB 3.96Å; F4-A736 HydrophobicContact CG-CB 3.22Å; F4-A736 HydrophobicContact CZ-CB 3.85Å; R36-A736 WeakPolarHBondContact O-CB 3.23Å; W115-A736 HydrophobicContact CZ3-CB 4.48Å; A736-S738 PolarHBondContact O-N 3.25Å
737K74.4Confident74.7Confident26 Ų2652.1 Ų52.111%0.11325%0.252CS..SBendtrans-64.1-40.5-159.3-177.564.3-174.8167.90115.5Y35 E529 G531 V532Y35-K737 HydrophobicContact CD2-CB 3.94Å; Y35-K737 HydrophobicContact CD2-CG 4.15Å; Y35-K737 HydrophobicContact CE2-CB 4.19Å; Y35-K737 HydrophobicContact CE2-CG 4.1Å; E529-K737 WeakPolarHBondContact O-CE 3.45Å; E529-K737 IonicContact OE2-NZ 3.71Å; E529-K737 PolarHBondContact OE2-NZ 3.11Å; G531-K737 WeakPolarHBondContact O-CD 3.24Å; G531-K737 VanDerWaalsContact O-CE 3.26Å; G531-K737 WeakPolarHBondContact O-CE 3.29Å; G531-K737 PolarHBondContact O-NZ 3.13Å; V532-K737 HydrophobicContact CG2-CB 4.46Å; V532-K737 WeakPolarHBondContact O-CD 3.15Å; V532-K737 PolarHBondContact O-NZ 3.37Å; V532-K737 VanDerWaalsContact O-NZ 3.17Å
738S67.1Low73.6Confident18 Ų1849.3 Ų49.313%0.12625%0.245CC..  trans-135.2131.4-170.9-178.70000112.1F4 S483 A736 T740F4-S738 WeakPolarHBondContact CD1-O 3.43Å; F4-S738 WeakPolarHBondContact CE1-O 3.38Å; S483-S738 VanDerWaalsContact CB-OG 3.23Å; S483-S738 WeakPolarHBondContact CB-OG 3.32Å; S483-S738 PolarHBondContact OG-OG 3.07Å; A736-S738 PolarHBondContact O-N 3.25Å; S738-T740 PolarHBondContact O-N 2.99Å
739V70.9Confident72.6Confident56 Ų5648 Ų4834%0.33924%0.237SC..  trans-87.486.3179.5-177.10000113.2T2 F4 T486 A487T2-V739 HydrophobicContact CG2-CB 3.86Å; T2-V739 HydrophobicContact CG2-CG1 3.72Å; T2-V739 HydrophobicContact CG2-CG2 4Å; F4-V739 HydrophobicContact CE1-CG2 4.31Å; F4-V739 HydrophobicContact CZ-CG2 4.13Å; T486-V739 CarbonylContact C-O 3.52Å; T486-V739 WeakPolarHBondContact CA-O 3.49Å; A487-V739 PolarHBondContact N-O 2.78Å
740T62.9Low71.3Confident22 Ų2251.2 Ų51.214%0.13525%0.252CS..  trans-94.8-7.8-16953.70000116.4V3 E485 S738V3-T740 PolarHBondContact O-OG1 3.26Å; E485-T740 HydrophobicContact CB-CG2 3.93Å; E485-T740 WeakPolarHBondContact O-CA 3.41Å; S738-T740 PolarHBondContact O-N 2.99Å
741V60.6Low70.1Confident12 Ų1254.6 Ų54.67%0.07327%0.268CS..  trans-142.3160171-43.90000110M1 V3 I167M1-V741 WeakPolarHBondContact O-CG2 3.2Å; V3-V741 HydrophobicContact CB-CG1 3.94Å; V3-V741 HydrophobicContact CB-CG2 4.05Å; V3-V741 HydrophobicContact CG2-CB 4.41Å; V3-V741 HydrophobicContact CG2-CG1 3.95Å; V3-V741 HydrophobicContact CG2-CG2 3.54Å; V3-V741 VanDerWaalsContact N-CG2 3.34Å; I167-V741 HydrophobicContact CD1-CB 4.31Å; I167-V741 HydrophobicContact CD1-CG2 3.52Å; I167-V741 HydrophobicContact CG1-CG2 4Å
742E53.2Low69.1Low162 Ų16255 Ų5576%0.75728%0.275SS*.  trans-62.80-179.2-68.6179.6-177.500115M1 N491M1-E742 CarbonylContact C-O 3.53Å; M1-E742 WeakPolarHBondContact CA-O 3.32Å; M1-E742 PolarHBondContact N-O 3.02Å; M1-E742 PolarHBondContact N-OXT 3.07Å; N491-E742 PolarHBondContact ND2-OE1 3.29Å

Retrieved 742 of 742 residues in 342.5 ms (Link to these results)

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