G4VE67_SCHMA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession G4VE67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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
1M86.5Confident96.2Very high127 Ų12737.5 Ų37.563%0.62618%0.181SC*.  0141.20175.3164.65500107.7Q43 Q50 C51 M52M1-Q43 HydrophobicContact CE-CG 3.99Å; M1-Q43 HydrophobicContact SD-CG 4Å; M1-Q50 WeakPolarHBondContact CG-O 3.34Å; M1-Q50 HydrophobicContact SD-CB 3.84Å; M1-C51 VanDerWaalsContact CG-CA 3.47Å; M1-C51 VanDerWaalsContact SD-C 3.51Å; M1-C51 VanDerWaalsContact SD-CA 3.56Å; M1-M52 HydrophobicContact CE-CB 4.07Å; M1-M52 HydrophobicContact CE-CE 3.89Å
2Q92.8Very high96Very high92 Ų9237.3 Ų37.343%0.4320%0.196SC..EExtended strand (participates in β ladder)trans-66137.7178.4-178.961.947.700109.8Y4 C51 M52Q2-Y4 HydrophobicContact CB-CE2 4.32Å; Q2-Y4 HydrophobicContact CG-CD2 4.41Å; Q2-Y4 HydrophobicContact CG-CE1 4.11Å; Q2-Y4 HydrophobicContact CG-CE2 3.73Å; Q2-C51 WeakPolarHBondContact O-CA 3.34Å; Q2-C51 WeakPolarHBondContact O-CB 3.2Å; Q2-M52 PolarHBondContact O-N 3.05Å
3E96.3Very high95.9Very high65 Ų6536.5 Ų36.530%0.30420%0.203SC..EExtended strand (participates in β ladder)trans-110.2142.1175.3-174.3159.3-137.300110.3R41 M52E3-R41 IonicContact OE1-CZ 3.73Å; E3-R41 IonicContact OE1-NE 2.72Å; E3-R41 PolarHBondContact OE1-NE 2.73Å; E3-R41 IonicContact OE1-NH2 3.94Å; E3-R41 PolarHBondContact OE1-NH2 2.99Å; E3-R41 IonicContact OE2-NH2 3.46Å; E3-M52 CarbonylContact C-O 3.55Å; E3-M52 VanDerWaalsContact CA-O 3.3Å; E3-M52 WeakPolarHBondContact CA-O 3.34Å; E3-M52 HydrophobicContact CB-CB 4.46Å; E3-M52 HydrophobicContact CG-CB 4.35Å
4Y98.1Very high96Very high11 Ų1134.1 Ų34.14%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-125.2128.8176.2-60.1-84000109.8Q2 C51 M52 L53 E54 V161 I164 N165Q2-Y4 HydrophobicContact CB-CE2 4.32Å; Q2-Y4 HydrophobicContact CG-CD2 4.41Å; Q2-Y4 HydrophobicContact CG-CE1 4.11Å; Q2-Y4 HydrophobicContact CG-CE2 3.73Å; Y4-C51 HydrophobicContact CD2-CB 3.87Å; Y4-C51 HydrophobicContact CE2-CB 3.45Å; Y4-C51 VanDerWaalsContact CE2-CB 3.45Å; Y4-M52 PolarHBondContact N-O 3.4Å; Y4-L53 HydrophobicContact CD2-CD1 4.11Å; Y4-E54 PolarHBondContact O-N 3.12Å; Y4-V161 HydrophobicContact CD1-CG1 4.49Å; Y4-V161 HydrophobicContact CD2-CG1 4.09Å; Y4-V161 HydrophobicContact CD2-CG2 4.07Å; Y4-V161 HydrophobicContact CE1-CG1 4.12Å; Y4-V161 HydrophobicContact CE2-CG1 3.66Å; Y4-V161 HydrophobicContact CE2-CG2 4.48Å; Y4-V161 HydrophobicContact CG-CG1 4.48Å; Y4-V161 HydrophobicContact CG-CG2 4.14Å; Y4-I164 HydrophobicContact CD1-CB 4.18Å; Y4-I164 HydrophobicContact CD1-CD1 3.92Å; Y4-I164 HydrophobicContact CD1-CG2 3.82Å; Y4-I164 HydrophobicContact CE1-CB 4.24Å; Y4-I164 HydrophobicContact CE1-CG2 3.85Å; Y4-N165 VanDerWaalsContact OH-CG 3.27Å; Y4-N165 PolarHBondContact OH-ND2 2.95Å; Y4-N165 PolarHBondContact OH-OD1 2.79Å
5K98.3Very high96.1Very high86 Ų8632.9 Ų32.937%0.37419%0.188SC..EExtended strand (participates in β ladder)trans-98.9112.9176.2-59.5-169.8176.7-162.90110E54 Q76 G77K5-E54 CarbonylContact C-O 3.57Å; K5-E54 WeakPolarHBondContact CA-O 3.47Å; K5-E54 WeakPolarHBondContact CE-OE2 3.47Å; K5-E54 HydrophobicContact CG-CB 4.46Å; K5-E54 IonicContact NZ-OE2 3.33Å; K5-Q76 HydrophobicContact CB-CG 4.46Å; K5-Q76 WeakPolarHBondContact O-CA 3.45Å; K5-Q76 PolarHBondContact O-N 2.9Å; K5-G77 PolarHBondContact O-N 2.86Å
6L98.8Very high96.2Very high2 Ų231.5 Ų31.51%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-112.3142.9179.9-53.6-178000109.5L53 E54 I55 L56 G77 F157 L160 I164L6-L53 HydrophobicContact CD1-CD2 3.78Å; L6-L53 HydrophobicContact CD1-CG 4.11Å; L6-E54 PolarHBondContact N-O 3Å; L6-I55 HydrophobicContact CB-CG1 4.38Å; L6-I55 WeakPolarHBondContact O-CA 3.23Å; L6-L56 PolarHBondContact O-N 3.43Å; L6-G77 CarbonylContact C-O 3.53Å; L6-G77 VanDerWaalsContact CA-O 3.32Å; L6-G77 WeakPolarHBondContact CA-O 3.47Å; L6-F157 HydrophobicContact CD1-CB 4.38Å; L6-F157 HydrophobicContact CD1-CD1 3.84Å; L6-L160 HydrophobicContact CD1-CB 4.38Å; L6-L160 HydrophobicContact CD1-CD1 4.36Å; L6-L160 HydrophobicContact CD2-CB 4.04Å; L6-L160 HydrophobicContact CD2-CD1 4.22Å; L6-I164 HydrophobicContact CD2-CD1 3.64Å
7V98.5Very high96.3Very high4 Ų431.4 Ų31.42%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-123.2130.1179.1-1730000109.2L9 L56 T58 G77 F78 V79V7-L9 HydrophobicContact CG1-CD1 4.46Å; V7-L9 HydrophobicContact CG1-CD2 4.05Å; V7-L9 HydrophobicContact CG1-CG 3.98Å; V7-L56 HydrophobicContact CG1-CB 4.48Å; V7-L56 HydrophobicContact CG1-CD2 4.37Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V7-L56 HydrophobicContact CG2-CD2 4.48Å; V7-T58 HydrophobicContact CG1-CG2 3.86Å; V7-G77 PolarHBondContact N-O 3.27Å; V7-F78 HydrophobicContact CB-CD1 3.87Å; V7-F78 HydrophobicContact CB-CE1 3.91Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 3.94Å; V7-F78 WeakPolarHBondContact O-CA 3.32Å; V7-V79 PolarHBondContact O-N 2.98Å
8V98.6Very high96.4Very high2 Ų230.9 Ų30.91%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-103.5115.3178.2-169.80000109.2K16 I55 L56 T58 V79 F157V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.1Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-I55 HydrophobicContact CG2-CG2 3.74Å; V8-L56 PolarHBondContact N-O 2.94Å; V8-T58 PolarHBondContact O-OG1 2.99Å; V8-V79 HydrophobicContact CB-CB 4.41Å; V8-V79 HydrophobicContact CG1-CB 4.08Å; V8-V79 HydrophobicContact CG1-CG1 4.15Å; V8-V79 HydrophobicContact CG2-CB 4.26Å; V8-V79 HydrophobicContact CG2-CG2 4.3Å; V8-F157 HydrophobicContact CG2-CE1 4.42Å
9L97.4Very high96.5Very high1 Ų129.4 Ų29.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-120.1159.4-176.9-62.4166.8000110.4V7 K16 T58 R68 I72 F78 V79 L80 C81 I100V7-L9 HydrophobicContact CG1-CD1 4.46Å; V7-L9 HydrophobicContact CG1-CD2 4.05Å; V7-L9 HydrophobicContact CG1-CG 3.98Å; L9-K16 VanDerWaalsContact C-CD 3.46Å; L9-T58 HydrophobicContact CD2-CG2 4.18Å; L9-R68 HydrophobicContact CD2-CG 4.02Å; L9-I72 HydrophobicContact CD1-CD1 4.47Å; L9-I72 HydrophobicContact CD1-CG1 4.24Å; L9-F78 HydrophobicContact CD1-CD1 4.14Å; L9-V79 PolarHBondContact N-O 3.38Å; L9-L80 HydrophobicContact CB-CD2 3.89Å; L9-L80 HydrophobicContact CD1-CD2 4.22Å; L9-C81 PolarHBondContact O-N 3.1Å; L9-I100 HydrophobicContact CD1-CD1 3.92Å; L9-I100 HydrophobicContact CD1-CG1 4.23Å
10G97.4Very high96.6Very high4 Ų427.9 Ų27.94%0.04116%0.164CC..  trans143.4164.1-177.200000111.9K16 G60 C81G10-K16 WeakPolarHBondContact O-CE 3.11Å; G10-K16 PolarHBondContact O-NZ 2.85Å; G10-G60 WeakPolarHBondContact O-CA 3.39Å; G10-C81 VanDerWaalsContact CA-O 3.3Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å
11S95.7Very high96.6Very high18 Ų1827.4 Ų27.413%0.12616%0.161CC..  trans-61.3169.8-175.5-35.70000113V14 K16 G60 S89 D92S11-V14 WeakPolarHBondContact O-CG2 3.3Å; S11-K16 PolarHBondContact O-NZ 3.32Å; S11-G60 CarbonylContact C-O 3.55Å; S11-S89 WeakPolarHBondContact OG-CA 3.2Å; S11-D92 PolarHBondContact OG-OD2 2.85Å
12G93.5Very high97.2Very high35 Ų3521.9 Ų21.936%0.36113%0.133SC..THydrogen-bonded Turntrans-57.9145.5173.700000112.1V14 G60G12-V14 PolarHBondContact O-N 2.9Å; G12-G60 PolarHBondContact N-O 3.34Å
13G94.2Very high97.5Very high28 Ų2817.6 Ų17.629%0.28911%0.113SC..THydrogen-bonded Turntrans68.23.3172.700000117.4G15 Y32 K117G13-G15 VanDerWaalsContact C-N 3.26Å; G13-G15 PolarHBondContact O-N 2.81Å; G13-Y32 PolarHBondContact N-OH 3.35Å; G13-K117 VanDerWaalsContact O-CE 3.27Å; G13-K117 WeakPolarHBondContact O-CE 3.4Å; G13-K117 PolarHBondContact O-NZ 2.85Å
14V97.4Very high97.6Very high2 Ų216 Ų161%0.01211%0.108CC..SBendtrans-72.7-17.9-179.9-56.90000113.8S11 G12 K16 C81 N116S11-V14 WeakPolarHBondContact O-CG2 3.3Å; G12-V14 PolarHBondContact O-N 2.9Å; V14-K16 HydrophobicContact CG2-CD 4.3Å; V14-K16 HydrophobicContact CG2-CG 3.58Å; V14-C81 HydrophobicContact CG2-CB 4.1Å; V14-N116 PolarHBondContact O-ND2 3.33Å
15G98Very high97.5Very high16 Ų1620.7 Ų20.717%0.16513%0.131CC..SBendtrans99.728.317700000115.5G13 A18 L19 N116G13-G15 VanDerWaalsContact C-N 3.26Å; G13-G15 PolarHBondContact O-N 2.81Å; G15-A18 PolarHBondContact O-N 2.89Å; G15-L19 WeakPolarHBondContact O-CG 3.27Å; G15-L19 PolarHBondContact O-N 3.06Å; G15-N116 WeakPolarHBondContact CA-ND2 3.44Å
16K97.9Very high97.4Very high11 Ų1118.2 Ų18.25%0.04813%0.13CC..Hα-helixtrans-53.6-52.8173.3-57.4-170.4-59.6-75.70112.4V8 L9 G10 S11 V14 L19 T20 D57 T58 G60 C81V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.1Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; L9-K16 VanDerWaalsContact C-CD 3.46Å; G10-K16 WeakPolarHBondContact O-CE 3.11Å; G10-K16 PolarHBondContact O-NZ 2.85Å; S11-K16 PolarHBondContact O-NZ 3.32Å; V14-K16 HydrophobicContact CG2-CD 4.3Å; V14-K16 HydrophobicContact CG2-CG 3.58Å; K16-L19 PolarHBondContact O-N 2.74Å; K16-T20 PolarHBondContact O-N 2.84Å; K16-T20 PolarHBondContact O-OG1 3.28Å; K16-D57 WeakPolarHBondContact CB-OD1 3.34Å; K16-T58 WeakPolarHBondContact CE-O 3.25Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å; K16-C81 HydrophobicContact CG-CB 4.1Å
17S97.4Very high97.3Very high29 Ų2922.1 Ų22.120%0.20315%0.15CC..Hα-helixtrans-65.2-41.1178.8-37.80000111.7L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 2.83Å; S17-T20 PolarHBondContact O-N 2.62Å; S17-V21 WeakPolarHBondContact O-CB 3.49Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.41Å; S17-V21 PolarHBondContact O-N 3.35Å; S17-T35 PolarHBondContact OG-OG1 3.34Å; S17-D57 WeakPolarHBondContact CA-OD2 3.45Å; S17-D57 WeakPolarHBondContact CB-OD2 3.3Å; S17-D57 PolarHBondContact OG-OD2 2.83Å
18A98.2Very high97.2Very high23 Ų2325.5 Ų25.519%0.1916%0.164CC..Hα-helixtrans-61.5-42.3176.400000112G15 Q22 F28 A147G15-A18 PolarHBondContact O-N 2.89Å; A18-Q22 WeakPolarHBondContact O-CB 3.44Å; A18-Q22 PolarHBondContact O-N 3.04Å; A18-F28 HydrophobicContact CB-CD2 4.2Å; A18-F28 HydrophobicContact CB-CE2 3.92Å; A18-A147 HydrophobicContact CB-CB 3.69Å
19L98.7Very high96.9Very high2 Ų229.4 Ų29.41%0.0119%0.188CC..Hα-helixtrans-64.7-45.3174.2-76.3171.1000111.6G15 K16 S17 Q22 F23 V114 N116 A147 V153 I156G15-L19 WeakPolarHBondContact O-CG 3.27Å; G15-L19 PolarHBondContact O-N 3.06Å; K16-L19 PolarHBondContact O-N 2.74Å; S17-L19 PolarHBondContact O-N 2.83Å; L19-Q22 PolarHBondContact O-N 2.9Å; L19-F23 WeakPolarHBondContact O-CB 3.27Å; L19-F23 PolarHBondContact O-N 2.81Å; L19-V114 HydrophobicContact CD1-CG1 3.9Å; L19-N116 HydrophobicContact CD1-CB 4.12Å; L19-A147 HydrophobicContact CD2-CB 3.92Å; L19-A147 HydrophobicContact CG-CB 4.13Å; L19-V153 HydrophobicContact CD2-CG2 4.04Å; L19-I156 HydrophobicContact CD1-CD1 4.05Å; L19-I156 HydrophobicContact CD2-CD1 4.14Å
20T98.4Very high96.5Very high0 Ų036.9 Ų36.90%022%0.223CC..Hα-helixtrans-64.5-47.8-178.6-56.50000111.5K16 S17 F23 V24 Y40 I55 D57K16-T20 PolarHBondContact O-N 2.84Å; K16-T20 PolarHBondContact O-OG1 3.28Å; S17-T20 PolarHBondContact O-N 2.62Å; T20-F23 PolarHBondContact O-N 2.91Å; T20-V24 HydrophobicContact CG2-CG2 4.3Å; T20-V24 WeakPolarHBondContact O-CB 3.39Å; T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.42Å; T20-Y40 HydrophobicContact CG2-CD2 3.44Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.44Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 3.92Å; T20-I55 HydrophobicContact CG2-CB 4.25Å; T20-I55 HydrophobicContact CG2-CG2 3.71Å; T20-D57 HydrophobicContact CG2-CB 4.5Å
21V97.6Very high96Very high18 Ų1844.8 Ų44.811%0.10926%0.256CS..Hα-helixtrans-65.4-42.2177.1171.70000111S17 F23 V24 Q25 G26 I27 Y40S17-V21 WeakPolarHBondContact O-CB 3.49Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.41Å; S17-V21 PolarHBondContact O-N 3.35Å; V21-F23 VanDerWaalsContact C-N 3.28Å; V21-F23 PolarHBondContact O-N 3.49Å; V21-V24 PolarHBondContact O-N 3.08Å; V21-Q25 HydrophobicContact CG1-CB 4.38Å; V21-Q25 WeakPolarHBondContact O-CA 2.92Å; V21-Q25 WeakPolarHBondContact O-CB 3.47Å; V21-Q25 PolarHBondContact O-N 3.05Å; V21-G26 PolarHBondContact O-N 3.21Å; V21-I27 HydrophobicContact CG1-CD1 4.38Å; V21-I27 HydrophobicContact CG1-CG1 3.8Å; V21-Y40 HydrophobicContact CG2-CE1 4.23Å
22Q98.2Very high95.3Very high10 Ų1050.4 Ų50.45%0.04728%0.275CS..Hα-helixtrans-61.7-39.1175.8-175.169.6-70.500111.5A18 L19 G26 I27 A147 K150 V153A18-Q22 WeakPolarHBondContact O-CB 3.44Å; A18-Q22 PolarHBondContact O-N 3.04Å; L19-Q22 PolarHBondContact O-N 2.9Å; Q22-G26 WeakPolarHBondContact O-CA 3.5Å; Q22-G26 PolarHBondContact O-N 3.24Å; Q22-G26 PolarHBondContact OE1-O 2.98Å; Q22-G26 VanDerWaalsContact OE1-O 3.08Å; Q22-I27 VanDerWaalsContact CA-O 3.27Å; Q22-I27 WeakPolarHBondContact CA-O 3.48Å; Q22-I27 PolarHBondContact N-O 3.28Å; Q22-I27 PolarHBondContact OE1-O 3.21Å; Q22-A147 WeakPolarHBondContact CG-O 3.04Å; Q22-A147 PolarHBondContact NE2-O 3.35Å; Q22-K150 VanDerWaalsContact CD-CE 3.49Å; Q22-K150 HydrophobicContact CG-CG 4.17Å; Q22-K150 VanDerWaalsContact OE1-CE 3.28Å; Q22-V153 HydrophobicContact CB-CG1 4.14Å; Q22-V153 HydrophobicContact CG-CB 4.49Å; Q22-V153 HydrophobicContact CG-CG1 4.01Å; Q22-V153 HydrophobicContact CG-CG2 4.04Å
23F98.6Very high94.9Very high2 Ų254.4 Ų54.41%0.00929%0.288CS..Hα-helixtrans-66.6-50.7174.2177.2-112000111.8L19 T20 V21 K42 I44 L53 I55 V153 N154 F157 F158L19-F23 WeakPolarHBondContact O-CB 3.27Å; L19-F23 PolarHBondContact O-N 2.81Å; T20-F23 PolarHBondContact O-N 2.91Å; V21-F23 VanDerWaalsContact C-N 3.28Å; V21-F23 PolarHBondContact O-N 3.49Å; F23-K42 HydrophobicContact CD1-CD 3.95Å; F23-K42 HydrophobicContact CE1-CB 4.23Å; F23-K42 HydrophobicContact CE1-CD 3.53Å; F23-K42 HydrophobicContact CE1-CG 4.48Å; F23-K42 HydrophobicContact CE2-CD 4.25Å; F23-K42 HydrophobicContact CG-CD 4.48Å; F23-K42 HydrophobicContact CZ-CD 3.72Å; F23-K42 WeakPolarHBondContact O-CE 3.46Å; F23-K42 PolarHBondContact O-NZ 3.4Å; F23-I44 HydrophobicContact CZ-CG2 3.94Å; F23-L53 HydrophobicContact CE1-CD2 4.03Å; F23-L53 HydrophobicContact CZ-CD2 4.06Å; F23-I55 HydrophobicContact CD1-CD1 3.5Å; F23-I55 HydrophobicContact CE1-CD1 3.61Å; F23-V153 HydrophobicContact CB-CG1 3.8Å; F23-N154 HydrophobicContact CD2-CB 4.48Å; F23-N154 WeakPolarHBondContact CD2-OD1 3.42Å; F23-N154 HydrophobicContact CE2-CB 4.37Å; F23-N154 WeakPolarHBondContact CE2-OD1 3.49Å; F23-F157 HydrophobicContact CB-CD2 3.89Å; F23-F157 HydrophobicContact CB-CE2 3.46Å; F23-F157 VanDerWaalsContact CB-CE2 3.46Å; F23-F157 HydrophobicContact CB-CZ 4.2Å; F23-F157 HydrophobicContact CD1-CD1 4.44Å; F23-F157 AromaticContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CD2 3.68Å; F23-F157 AromaticContact CD1-CE2 3.86Å; F23-F157 HydrophobicContact CD1-CE2 3.86Å; F23-F157 AromaticContact CD1-CG 3.99Å; F23-F157 HydrophobicContact CD1-CG 3.99Å; F23-F157 HydrophobicContact CD1-CZ 4.3Å; F23-F157 AromaticContact CD2-CD2 3.47Å; F23-F157 HydrophobicContact CD2-CD2 3.47Å; F23-F157 VanDerWaalsContact CD2-CD2 3.47Å; F23-F157 AromaticContact CD2-CE2 3.99Å; F23-F157 HydrophobicContact CD2-CE2 3.99Å; F23-F157 HydrophobicContact CD2-CG 4.26Å; F23-F157 HydrophobicContact CE1-CB 4.13Å; F23-F157 HydrophobicContact CE1-CD1 4.46Å; F23-F157 HydrophobicContact CE1-CD2 4.01Å; F23-F157 AromaticContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE2-CB 4.05Å; F23-F157 AromaticContact CE2-CD2 3.82Å; F23-F157 HydrophobicContact CE2-CD2 3.82Å; F23-F157 HydrophobicContact CE2-CG 4.2Å; F23-F157 AromaticContact CG-CD2 3.38Å; F23-F157 HydrophobicContact CG-CD2 3.38Å; F23-F157 AromaticContact CG-CE2 3.49Å; F23-F157 HydrophobicContact CG-CE2 3.49Å; F23-F157 VanDerWaalsContact CG-CE2 3.49Å; F23-F157 HydrophobicContact CG-CG 4.15Å; F23-F157 HydrophobicContact CG-CZ 4.31Å; F23-F157 HydrophobicContact CZ-CB 3.79Å; F23-F157 HydrophobicContact CZ-CD2 4.05Å; F23-F157 HydrophobicContact CZ-CG 4.02Å; F23-F158 AromaticContact CE2-CE1 3.99Å; F23-F158 HydrophobicContact CE2-CE1 3.99Å; F23-F158 HydrophobicContact CZ-CE1 4.23Å
24V98Very high94.7Very high32 Ų3256.6 Ų56.619%0.19430%0.298CS..Hα-helixtrans-74.9-41.7-170.6176.80000112T20 V21 Y40 K42 I55T20-V24 HydrophobicContact CG2-CG2 4.3Å; T20-V24 WeakPolarHBondContact O-CB 3.39Å; T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.42Å; V21-V24 PolarHBondContact O-N 3.08Å; V24-Y40 HydrophobicContact CB-CD1 4.42Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.42Å; V24-Y40 HydrophobicContact CG2-CG 4.26Å; V24-K42 HydrophobicContact CG2-CB 4.45Å; V24-I55 HydrophobicContact CG2-CD1 4.23Å
25Q96.6Very high94.2Very high110 Ų11057.5 Ų57.551%0.51430%0.303SS..Hα-helixtrans-114.1-12.9-169.4-58.6-179.50.800113.5V21 I27V21-Q25 HydrophobicContact CG1-CB 4.38Å; V21-Q25 WeakPolarHBondContact O-CA 2.92Å; V21-Q25 WeakPolarHBondContact O-CB 3.47Å; V21-Q25 PolarHBondContact O-N 3.05Å; Q25-I27 HydrophobicContact CB-CD1 4.46Å; Q25-I27 HydrophobicContact CB-CG1 4Å; Q25-I27 PolarHBondContact O-N 2.98Å
26G97Very high93.7Very high34 Ų3461.7 Ų61.735%0.35132%0.32SS..SBendtrans72.215.3179.700000114.7V21 Q22 K150V21-G26 PolarHBondContact O-N 3.21Å; Q22-G26 WeakPolarHBondContact O-CA 3.5Å; Q22-G26 PolarHBondContact O-N 3.24Å; Q22-G26 PolarHBondContact OE1-O 2.98Å; Q22-G26 VanDerWaalsContact OE1-O 3.08Å; G26-K150 PolarHBondContact O-NZ 3.3Å
27I96.4Very high93.3Very high84 Ų8465.5 Ų65.543%0.43134%0.338SS..  trans-117.2152.6177.568.2174.9000111.9V21 Q22 Q25 V29V21-I27 HydrophobicContact CG1-CD1 4.38Å; V21-I27 HydrophobicContact CG1-CG1 3.8Å; Q22-I27 VanDerWaalsContact CA-O 3.27Å; Q22-I27 WeakPolarHBondContact CA-O 3.48Å; Q22-I27 PolarHBondContact N-O 3.28Å; Q22-I27 PolarHBondContact OE1-O 3.21Å; Q25-I27 HydrophobicContact CB-CD1 4.46Å; Q25-I27 HydrophobicContact CB-CG1 4Å; Q25-I27 PolarHBondContact O-N 2.98Å; I27-V29 HydrophobicContact CD1-CG2 4.21Å
28F96Very high93.2Very high74 Ų7467.6 Ų67.633%0.32535%0.347SS..  trans-115.4124.3169.5176.7-102.6000108.9A18 E30 A147 K148A18-F28 HydrophobicContact CB-CD2 4.2Å; A18-F28 HydrophobicContact CB-CE2 3.92Å; F28-E30 HydrophobicContact CD1-CG 4.18Å; F28-E30 HydrophobicContact CE1-CG 3.89Å; F28-A147 HydrophobicContact CD2-CB 4.04Å; F28-A147 HydrophobicContact CE2-CB 4.13Å; F28-K148 HydrophobicContact CD1-CB 4.34Å; F28-K148 HydrophobicContact CD1-CG 4.08Å; F28-K148 HydrophobicContact CD2-CB 4.31Å; F28-K148 HydrophobicContact CE1-CB 4.06Å; F28-K148 HydrophobicContact CE1-CD 4.23Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4.04Å; F28-K148 HydrophobicContact CG-CB 4.46Å; F28-K148 HydrophobicContact CZ-CB 3.91Å; F28-K148 HydrophobicContact CZ-CG 4.17Å
29V91.9Very high93.1Very high85 Ų8569.6 Ų69.652%0.51536%0.36SS..  trans-101.3117.6178.1-178.20000108.2I27 K31I27-V29 HydrophobicContact CD1-CG2 4.21Å; V29-K31 VanDerWaalsContact C-N 3.34Å; V29-K31 HydrophobicContact CG1-CB 4.33Å
30E88.7Confident93.1Very high158 Ų15871.6 Ų71.674%0.73837%0.368SS*.  trans-69.5-31.8-177.4-67.8-171161.800113F28 Y32F28-E30 HydrophobicContact CD1-CG 4.18Å; F28-E30 HydrophobicContact CE1-CG 3.89Å; E30-Y32 PolarHBondContact O-N 3.09Å
31K88.6Confident93.1Very high170 Ų17078.6 Ų78.674%0.73939%0.394SS*.SBendtrans-68.8122.8178.9-175.2-178.5175.5-171.30109.9V29V29-K31 VanDerWaalsContact C-N 3.34Å; V29-K31 HydrophobicContact CG1-CB 4.33Å
32Y80.1Confident93.1Very high136 Ų13680.4 Ų80.453%0.53340%0.401SS..  trans-86127.8172.4-179.2-120.7000111G13 E30 P34G13-Y32 PolarHBondContact N-OH 3.35Å; E30-Y32 PolarHBondContact O-N 3.09Å; Y32-P34 HydrophobicContact CE1-CG 3.92Å
33D86.2Confident93.1Very high119 Ų11984.8 Ų84.864%0.63642%0.421SS*.  trans-129123168.6-164.2-3000108T35D33-T35 PolarHBondContact O-N 2.93Å; D33-T35 VanDerWaalsContact O-N 3.11Å
34P88.8Confident93Very high74 Ų7485.3 Ų85.348%0.48142%0.424SS..  trans-59.7113.9178-25.435000112.7Y32Y32-P34 HydrophobicContact CE1-CG 3.92Å
35T87.3Confident92.9Very high21 Ų2189.3 Ų89.313%0.12944%0.44CS..  trans-66.2138.3173.1-54.80000111.4S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 3.34Å; D33-T35 PolarHBondContact O-N 2.93Å; D33-T35 VanDerWaalsContact O-N 3.11Å; T35-D38 HydrophobicContact CG2-CB 4.44Å; T35-A59 VanDerWaalsContact O-CA 3.23Å; T35-A59 WeakPolarHBondContact O-CA 2.98Å; T35-A59 VanDerWaalsContact O-CB 3.24Å; T35-A59 WeakPolarHBondContact O-CB 3.35Å
36I86.5Confident92.7Very high103 Ų10384.5 Ų84.553%0.52842%0.418SS..SBendtrans-87.5-62.5164.5-62.7176.5000108.3A59 F64I36-A59 VanDerWaalsContact O-CB 3.24Å; I36-A59 WeakPolarHBondContact O-CB 3.44Å; I36-A59 PolarHBondContact O-N 3.19Å; I36-F64 HydrophobicContact CD1-CE1 4.15Å; I36-F64 HydrophobicContact CD1-CZ 4.21Å; I36-F64 HydrophobicContact CG1-CD1 4.4Å; I36-F64 HydrophobicContact CG1-CE1 4.06Å; I36-F64 HydrophobicContact CG1-CE2 4.26Å; I36-F64 HydrophobicContact CG1-CZ 3.99Å; I36-F64 HydrophobicContact CG2-CD1 3.92Å; I36-F64 HydrophobicContact CG2-CE1 4.24Å; I36-F64 HydrophobicContact CG2-CG 4.35Å
37E90.3Very high92.4Very high91 Ų9187.4 Ų87.443%0.42543%0.426SS..EExtended strand (participates in β ladder)trans-163.7133.6174.5-176.9-169.5117.700107.9L56 D57 Y71E37-L56 HydrophobicContact CG-CD1 3.53Å; E37-L56 HydrophobicContact CG-CG 4.37Å; E37-D57 WeakPolarHBondContact CA-O 3.48Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.39Å; E37-Y71 PolarHBondContact OE2-OH 2.9Å
38D94.9Very high92.2Very high73 Ų7390.3 Ų90.339%0.3944%0.442SS..EExtended strand (participates in β ladder)trans-135.9139.5171.6-76-57.6000109.9T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.44Å; D38-Y40 HydrophobicContact CB-CD2 4.29Å; D38-Y40 HydrophobicContact CB-CE2 3.47Å; D38-Y40 VanDerWaalsContact CB-CE2 3.47Å; D38-D57 HydrophobicContact CB-CB 4.46Å; D38-D57 PolarHBondContact N-O 3.46Å; D38-D57 PolarHBondContact O-N 2.85Å
39S96.5Very high92Very high66 Ų6693.4 Ų93.446%0.46245%0.452SS..EExtended strand (participates in β ladder)trans-111.5126.4174.5-177.10000110.7I55S39-I55 WeakPolarHBondContact CA-O 3.21Å
40Y98.2Very high92.3Very high43 Ų4395 Ų9517%0.16945%0.454CS..EExtended strand (participates in β ladder)trans-116147.7179-62.2-93.8000110.7T20 V21 V24 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.44Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.44Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 3.92Å; V21-Y40 HydrophobicContact CG2-CE1 4.23Å; V24-Y40 HydrophobicContact CB-CD1 4.42Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.42Å; V24-Y40 HydrophobicContact CG2-CG 4.26Å; D38-Y40 HydrophobicContact CB-CD2 4.29Å; D38-Y40 HydrophobicContact CB-CE2 3.47Å; D38-Y40 VanDerWaalsContact CB-CE2 3.47Å; Y40-E54 CarbonylContact O-C 3.6Å; Y40-E54 WeakPolarHBondContact O-CA 3.49Å; Y40-I55 PolarHBondContact N-O 3.39Å; Y40-I55 PolarHBondContact O-N 3.4Å; Y40-D57 HydrophobicContact CE2-CB 4.16Å
41R98.1Very high92.6Very high148 Ų14887.7 Ų87.756%0.55842%0.42SS*.EExtended strand (participates in β ladder)trans-123.9134.3173-62.1-178.179.8-162.49.6110.9E3 M52 L53 E54E3-R41 IonicContact OE1-CZ 3.73Å; E3-R41 IonicContact OE1-NE 2.72Å; E3-R41 PolarHBondContact OE1-NE 2.73Å; E3-R41 IonicContact OE1-NH2 3.94Å; E3-R41 PolarHBondContact OE1-NH2 2.99Å; E3-R41 IonicContact OE2-NH2 3.46Å; R41-M52 HydrophobicContact CB-SD 4Å; R41-L53 CarbonylContact C-O 3.57Å; R41-L53 WeakPolarHBondContact CA-O 3.32Å; R41-E54 HydrophobicContact CG-CG 4.49Å
42K98.2Very high93.1Very high55 Ų5581.2 Ų81.224%0.23939%0.393CS..EExtended strand (participates in β ladder)trans-138.5125.9175.3-166.4-171.7-173.9177.80110.3F23 V24 I44 M52 L53F23-K42 HydrophobicContact CD1-CD 3.95Å; F23-K42 HydrophobicContact CE1-CB 4.23Å; F23-K42 HydrophobicContact CE1-CD 3.53Å; F23-K42 HydrophobicContact CE1-CG 4.48Å; F23-K42 HydrophobicContact CE2-CD 4.25Å; F23-K42 HydrophobicContact CG-CD 4.48Å; F23-K42 HydrophobicContact CZ-CD 3.72Å; F23-K42 WeakPolarHBondContact O-CE 3.46Å; F23-K42 PolarHBondContact O-NZ 3.4Å; V24-K42 HydrophobicContact CG2-CB 4.45Å; K42-I44 HydrophobicContact CB-CG2 4.44Å; K42-I44 HydrophobicContact CD-CG2 3.72Å; K42-I44 HydrophobicContact CG-CG2 3.9Å; K42-M52 VanDerWaalsContact C-SD 3.59Å; K42-L53 PolarHBondContact N-O 3.15Å; K42-L53 PolarHBondContact O-N 3.27Å
43Q98Very high94Very high102 Ų10274.8 Ų74.848%0.47737%0.367SS..EExtended strand (participates in β ladder)trans-78.5129.6166.8-176.5172.7-5.400109.1M1 C51 M52M1-Q43 HydrophobicContact CE-CG 3.99Å; M1-Q43 HydrophobicContact SD-CG 4Å; Q43-C51 WeakPolarHBondContact CA-O 3.45Å; Q43-M52 HydrophobicContact CB-CE 4.2Å; Q43-M52 HydrophobicContact CB-SD 4.47Å
44I96.7Very high94.6Very high13 Ų1371.6 Ų71.67%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-135.5167178.169.3176.8000110.7F23 K42 I46 Q50 C51 L53 F158F23-I44 HydrophobicContact CZ-CG2 3.94Å; K42-I44 HydrophobicContact CB-CG2 4.44Å; K42-I44 HydrophobicContact CD-CG2 3.72Å; K42-I44 HydrophobicContact CG-CG2 3.9Å; I44-I46 HydrophobicContact CD1-CD1 3.31Å; I44-I46 HydrophobicContact CD1-CG1 3.7Å; I44-I46 HydrophobicContact CG1-CD1 4.23Å; I44-I46 HydrophobicContact CG1-CG1 4.2Å; I44-Q50 WeakPolarHBondContact O-CA 3.39Å; I44-C51 WeakPolarHBondContact CG1-SG 3.43Å; I44-C51 PolarHBondContact N-O 3.12Å; I44-C51 PolarHBondContact O-N 2.97Å; I44-L53 HydrophobicContact CD1-CD1 3.33Å; I44-L53 HydrophobicContact CD1-CD2 3.63Å; I44-L53 HydrophobicContact CD1-CG 4.11Å; I44-L53 HydrophobicContact CG1-CD1 3.64Å; I44-F158 HydrophobicContact CB-CE1 4.38Å; I44-F158 HydrophobicContact CD1-CD1 3.84Å; I44-F158 HydrophobicContact CD1-CE1 3.65Å; I44-F158 HydrophobicContact CG2-CE1 4.44Å
45E95.8Very high95Very high116 Ų11668 Ų6854%0.54233%0.326SS..EExtended strand (participates in β ladder)trans-116.6122.4169.9-174.7172.9-177.600109.5N48 R49E45-N48 WeakPolarHBondContact OE1-CA 3.42Å; E45-R49 WeakPolarHBondContact CA-O 3.36Å
46I92.2Very high95.5Very high9 Ų968.2 Ų68.25%0.04633%0.326CS..EExtended strand (participates in β ladder)trans-127.9130.1174.4-65.9174.3000107.6I44 N48 R49 F158 V161 R162I44-I46 HydrophobicContact CD1-CD1 3.31Å; I44-I46 HydrophobicContact CD1-CG1 3.7Å; I44-I46 HydrophobicContact CG1-CD1 4.23Å; I44-I46 HydrophobicContact CG1-CG1 4.2Å; I46-N48 PolarHBondContact O-N 3.44Å; I46-R49 PolarHBondContact N-O 3.42Å; I46-R49 WeakPolarHBondContact O-CB 3.37Å; I46-R49 PolarHBondContact O-N 3.4Å; I46-F158 HydrophobicContact CD1-CB 4.03Å; I46-F158 HydrophobicContact CD1-CD1 3.6Å; I46-F158 HydrophobicContact CD1-CE1 4.31Å; I46-F158 HydrophobicContact CD1-CG 3.94Å; I46-F158 HydrophobicContact CG1-CB 4.49Å; I46-F158 HydrophobicContact CG1-CD1 3.89Å; I46-F158 HydrophobicContact CG1-CE1 4.25Å; I46-F158 HydrophobicContact CG1-CG 4.08Å; I46-V161 HydrophobicContact CD1-CB 3.51Å; I46-V161 HydrophobicContact CD1-CG1 3.61Å; I46-V161 HydrophobicContact CD1-CG2 3.8Å; I46-R162 HydrophobicContact CG2-CG 4.12Å
47D91.3Very high96Very high95 Ų9563.3 Ų63.351%0.50830%0.301SS..THydrogen-bonded Turntrans51.445.3178.2-50.4-27.6000111.8R49 R162D47-R49 VanDerWaalsContact C-N 3.26Å; D47-R49 PolarHBondContact O-N 3.45Å; D47-R162 IonicContact OD1-CZ 3.44Å; D47-R162 IonicContact OD1-NE 3.53Å; D47-R162 PolarHBondContact OD1-NE 3.38Å; D47-R162 IonicContact OD1-NH2 3.47Å; D47-R162 PolarHBondContact OD1-NH2 3.49Å; D47-R162 IonicContact OD2-NE 3.2Å; D47-R162 PolarHBondContact OD2-NE 2.76Å
48N92Very high96.2Very high145 Ų14559.2 Ų59.278%0.77528%0.282SS*.THydrogen-bonded Turntrans5929.3-177.5-58.50.8000114.6E45 I46E45-N48 WeakPolarHBondContact OE1-CA 3.42Å; I46-N48 PolarHBondContact O-N 3.44Å
49R92.6Very high95.9Very high140 Ų14056 Ų5653%0.52827%0.266SS..EExtended strand (participates in β ladder)trans-129.4122178.4-65174.6-177.9-165.6-4.1110.7E45 I46 D47 Q170E45-R49 WeakPolarHBondContact CA-O 3.36Å; I46-R49 PolarHBondContact N-O 3.42Å; I46-R49 WeakPolarHBondContact O-CB 3.37Å; I46-R49 PolarHBondContact O-N 3.4Å; D47-R49 VanDerWaalsContact C-N 3.26Å; D47-R49 PolarHBondContact O-N 3.45Å; R49-Q170 VanDerWaalsContact NH1-NE2 3.12Å
50Q96.4Very high95.3Very high119 Ų11953.8 Ų53.856%0.55625%0.253SS*.EExtended strand (participates in β ladder)trans-69.5133.7172.6-65.5-176.4-12.700110.3M1 I44M1-Q50 WeakPolarHBondContact CG-O 3.34Å; M1-Q50 HydrophobicContact SD-CB 3.84Å; I44-Q50 WeakPolarHBondContact O-CA 3.39Å
51C97Very high94.3Very high4 Ų454 Ų543%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-143.3159.617460.20000111.7M1 Q2 Y4 Q43 I44M1-C51 VanDerWaalsContact CG-CA 3.47Å; M1-C51 VanDerWaalsContact SD-C 3.51Å; M1-C51 VanDerWaalsContact SD-CA 3.56Å; Q2-C51 WeakPolarHBondContact O-CA 3.34Å; Q2-C51 WeakPolarHBondContact O-CB 3.2Å; Y4-C51 HydrophobicContact CD2-CB 3.87Å; Y4-C51 HydrophobicContact CE2-CB 3.45Å; Y4-C51 VanDerWaalsContact CE2-CB 3.45Å; Q43-C51 WeakPolarHBondContact CA-O 3.45Å; I44-C51 WeakPolarHBondContact CG1-SG 3.43Å; I44-C51 PolarHBondContact N-O 3.12Å; I44-C51 PolarHBondContact O-N 2.97Å
52M98.3Very high93.1Very high34 Ų3454.9 Ų54.917%0.16727%0.269CS..EExtended strand (participates in β ladder)trans-99.6130.4170.9-172.561.471.500109.1M1 Q2 E3 Y4 R41 K42 Q43M1-M52 HydrophobicContact CE-CB 4.07Å; M1-M52 HydrophobicContact CE-CE 3.89Å; Q2-M52 PolarHBondContact O-N 3.05Å; E3-M52 CarbonylContact C-O 3.55Å; E3-M52 VanDerWaalsContact CA-O 3.3Å; E3-M52 WeakPolarHBondContact CA-O 3.34Å; E3-M52 HydrophobicContact CB-CB 4.46Å; E3-M52 HydrophobicContact CG-CB 4.35Å; Y4-M52 PolarHBondContact N-O 3.4Å; R41-M52 HydrophobicContact CB-SD 4Å; K42-M52 VanDerWaalsContact C-SD 3.59Å; Q43-M52 HydrophobicContact CB-CE 4.2Å; Q43-M52 HydrophobicContact CB-SD 4.47Å
53L98.4Very high91.7Very high0 Ų059.4 Ų59.40%029%0.291CS..EExtended strand (participates in β ladder)trans-101.7129.9166.9-85.558.7000108.2Y4 L6 F23 R41 K42 I44 I55 F157 V161Y4-L53 HydrophobicContact CD2-CD1 4.11Å; L6-L53 HydrophobicContact CD1-CD2 3.78Å; L6-L53 HydrophobicContact CD1-CG 4.11Å; F23-L53 HydrophobicContact CE1-CD2 4.03Å; F23-L53 HydrophobicContact CZ-CD2 4.06Å; R41-L53 CarbonylContact C-O 3.57Å; R41-L53 WeakPolarHBondContact CA-O 3.32Å; K42-L53 PolarHBondContact N-O 3.15Å; K42-L53 PolarHBondContact O-N 3.27Å; I44-L53 HydrophobicContact CD1-CD1 3.33Å; I44-L53 HydrophobicContact CD1-CD2 3.63Å; I44-L53 HydrophobicContact CD1-CG 4.11Å; I44-L53 HydrophobicContact CG1-CD1 3.64Å; L53-I55 HydrophobicContact CB-CG1 4.35Å; L53-F157 HydrophobicContact CD2-CB 3.91Å; L53-V161 HydrophobicContact CD1-CG2 3.89Å; L53-V161 HydrophobicContact CD2-CG2 4.16Å; L53-V161 HydrophobicContact CG-CG2 4.17Å
54E98.4Very high90.5Very high52 Ų5258.7 Ų58.724%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-103.3116.2162.7-175.6-176.2179.700106.8Y4 K5 L6 Y40 R41Y4-E54 PolarHBondContact O-N 3.12Å; K5-E54 CarbonylContact C-O 3.57Å; K5-E54 WeakPolarHBondContact CA-O 3.47Å; K5-E54 WeakPolarHBondContact CE-OE2 3.47Å; K5-E54 HydrophobicContact CG-CB 4.46Å; K5-E54 IonicContact NZ-OE2 3.33Å; L6-E54 PolarHBondContact N-O 3Å; Y40-E54 CarbonylContact O-C 3.6Å; Y40-E54 WeakPolarHBondContact O-CA 3.49Å; R41-E54 HydrophobicContact CG-CG 4.49Å
55I98.8Very high89.3Confident0 Ų059.8 Ų59.80%029%0.294CS..EExtended strand (participates in β ladder)trans-112.9116-178.3-58.1164.7000107.9L6 V8 T20 F23 V24 S39 Y40 L53 F157L6-I55 HydrophobicContact CB-CG1 4.38Å; L6-I55 WeakPolarHBondContact O-CA 3.23Å; V8-I55 HydrophobicContact CG2-CG2 3.74Å; T20-I55 HydrophobicContact CG2-CB 4.25Å; T20-I55 HydrophobicContact CG2-CG2 3.71Å; F23-I55 HydrophobicContact CD1-CD1 3.5Å; F23-I55 HydrophobicContact CE1-CD1 3.61Å; V24-I55 HydrophobicContact CG2-CD1 4.23Å; S39-I55 WeakPolarHBondContact CA-O 3.21Å; Y40-I55 PolarHBondContact N-O 3.39Å; Y40-I55 PolarHBondContact O-N 3.4Å; L53-I55 HydrophobicContact CB-CG1 4.35Å; I55-F157 HydrophobicContact CD1-CD1 3.69Å; I55-F157 HydrophobicContact CD1-CE1 3.56Å; I55-F157 HydrophobicContact CD1-CG 4.39Å; I55-F157 HydrophobicContact CD1-CZ 4.17Å; I55-F157 HydrophobicContact CG1-CD1 4.21Å; I55-F157 HydrophobicContact CG1-CE1 4.09Å; I55-F157 HydrophobicContact CG2-CE1 4.04Å
56L97.7Very high88.4Confident25 Ų2558.7 Ų58.713%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-90.1107.9171.7-171.366.6000109.3L6 V7 V8 E37 T58 Y71L6-L56 PolarHBondContact O-N 3.43Å; V7-L56 HydrophobicContact CG1-CB 4.48Å; V7-L56 HydrophobicContact CG1-CD2 4.37Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V7-L56 HydrophobicContact CG2-CD2 4.48Å; V8-L56 PolarHBondContact N-O 2.94Å; E37-L56 HydrophobicContact CG-CD1 3.53Å; E37-L56 HydrophobicContact CG-CG 4.37Å; L56-T58 HydrophobicContact CD2-CG2 4.29Å; L56-T58 HydrophobicContact CG-CG2 4.09Å; L56-Y71 HydrophobicContact CD2-CD1 3.44Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.44Å; L56-Y71 HydrophobicContact CD2-CD2 4.31Å; L56-Y71 HydrophobicContact CD2-CE1 4.1Å; L56-Y71 HydrophobicContact CD2-CG 3.57Å
57D95.7Very high88Confident0 Ų062.9 Ų62.90%033%0.325CS..EExtended strand (participates in β ladder)trans-85.6131.2168.2-175.129.4000109.3K16 S17 T20 E37 D38 Y40K16-D57 WeakPolarHBondContact CB-OD1 3.34Å; S17-D57 WeakPolarHBondContact CA-OD2 3.45Å; S17-D57 WeakPolarHBondContact CB-OD2 3.3Å; S17-D57 PolarHBondContact OG-OD2 2.83Å; T20-D57 HydrophobicContact CG2-CB 4.5Å; E37-D57 WeakPolarHBondContact CA-O 3.48Å; D38-D57 HydrophobicContact CB-CB 4.46Å; D38-D57 PolarHBondContact N-O 3.46Å; D38-D57 PolarHBondContact O-N 2.85Å; Y40-D57 HydrophobicContact CE2-CB 4.16Å
58T94.3Very high88Confident5 Ų560.2 Ų60.23%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-120.4156.9-168.467.40000112.2V7 V8 L9 K16 L56 Y71V7-T58 HydrophobicContact CG1-CG2 3.86Å; V8-T58 PolarHBondContact O-OG1 2.99Å; L9-T58 HydrophobicContact CD2-CG2 4.18Å; K16-T58 WeakPolarHBondContact CE-O 3.25Å; L56-T58 HydrophobicContact CD2-CG2 4.29Å; L56-T58 HydrophobicContact CG-CG2 4.09Å; T58-Y71 HydrophobicContact CG2-CD2 3.94Å; T58-Y71 HydrophobicContact CG2-CE2 4.31Å
59A90.4Very high88Confident6 Ų656.8 Ų56.85%0.0529%0.289CS..  trans-58.5140.116800000112.4T35 I36 F64T35-A59 VanDerWaalsContact O-CA 3.23Å; T35-A59 WeakPolarHBondContact O-CA 2.98Å; T35-A59 VanDerWaalsContact O-CB 3.24Å; T35-A59 WeakPolarHBondContact O-CB 3.35Å; I36-A59 VanDerWaalsContact O-CB 3.24Å; I36-A59 WeakPolarHBondContact O-CB 3.44Å; I36-A59 PolarHBondContact O-N 3.19Å; A59-F64 HydrophobicContact CB-CB 3.35Å; A59-F64 HydrophobicContact CB-CD2 3.94Å; A59-F64 HydrophobicContact CB-CG 4.01Å
60G82.4Confident88.1Confident19 Ų1954 Ų5420%0.19628%0.284CS..  trans-95.3-1.3172.500000114.8G10 S11 G12 K16G10-G60 WeakPolarHBondContact O-CA 3.39Å; S11-G60 CarbonylContact C-O 3.55Å; G12-G60 PolarHBondContact N-O 3.34Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å
61T78.3Confident87.9Confident46 Ų4649.6 Ų49.628%0.28226%0.263SS..SBendtrans-106.4143-176.166.20000110.6Q63 F64 T65T61-Q63 VanDerWaalsContact CB-OE1 3.23Å; T61-Q63 PolarHBondContact O-N 2.51Å; T61-Q63 VanDerWaalsContact O-N 3.11Å; T61-Q63 PolarHBondContact OG1-OE1 3.28Å; T61-F64 PolarHBondContact O-N 2.81Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.33Å; T61-T65 WeakPolarHBondContact O-CG2 3.38Å
62E71.9Confident87.9Confident167 Ų16749.5 Ų49.578%0.7826%0.262SS*.G310 helixtrans-57.1-30.6-171.5-64.4-174.516300114.2F64 T65E62-F64 PolarHBondContact O-N 2.83Å; E62-T65 PolarHBondContact O-N 2.72Å; E62-T65 PolarHBondContact O-OG1 3.44Å
63Q70.3Confident87.8Confident151 Ų15154.9 Ų54.971%0.70629%0.285SS*.G310 helixtrans-60.5-22.3-177.8-58.185.23.900113.4T61T61-Q63 VanDerWaalsContact CB-OE1 3.23Å; T61-Q63 PolarHBondContact O-N 2.51Å; T61-Q63 VanDerWaalsContact O-N 3.11Å; T61-Q63 PolarHBondContact OG1-OE1 3.28Å
64F72.6Confident87.6Confident87 Ų8759.3 Ų59.338%0.38231%0.309SS..G310 helixtrans-1136-176.5-58.7-65.3000113.1I36 A59 T61 E62 A66I36-F64 HydrophobicContact CD1-CE1 4.15Å; I36-F64 HydrophobicContact CD1-CZ 4.21Å; I36-F64 HydrophobicContact CG1-CD1 4.4Å; I36-F64 HydrophobicContact CG1-CE1 4.06Å; I36-F64 HydrophobicContact CG1-CE2 4.26Å; I36-F64 HydrophobicContact CG1-CZ 3.99Å; I36-F64 HydrophobicContact CG2-CD1 3.92Å; I36-F64 HydrophobicContact CG2-CE1 4.24Å; I36-F64 HydrophobicContact CG2-CG 4.35Å; A59-F64 HydrophobicContact CB-CB 3.35Å; A59-F64 HydrophobicContact CB-CD2 3.94Å; A59-F64 HydrophobicContact CB-CG 4.01Å; T61-F64 PolarHBondContact O-N 2.81Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.33Å; E62-F64 PolarHBondContact O-N 2.83Å; F64-A66 VanDerWaalsContact C-N 3.33Å; F64-A66 PolarHBondContact O-N 2.97Å
65T70.4Confident87.6Confident36 Ų3657 Ų5722%0.22130%0.298CS..G310 helixtrans-86.6-3-176.365.30000113.6T61 E62 M67 R68T61-T65 WeakPolarHBondContact O-CG2 3.38Å; E62-T65 PolarHBondContact O-N 2.72Å; E62-T65 PolarHBondContact O-OG1 3.44Å; T65-M67 PolarHBondContact O-N 2.89Å; T65-M67 VanDerWaalsContact O-N 3.08Å; T65-R68 WeakPolarHBondContact O-CB 3.34Å; T65-R68 PolarHBondContact O-N 2.91Å
66A77.3Confident87.5Confident93 Ų9359.9 Ų59.977%0.76931%0.312SS*.G310 helixtrans-55.9-28.5179.300000113.1F64F64-A66 VanDerWaalsContact C-N 3.33Å; F64-A66 PolarHBondContact O-N 2.97Å
67M83.6Confident87.5Confident96 Ų9658.7 Ų58.747%0.47331%0.305SS..G310 helixtrans-92.12.2-179.9-62.4-58.4-7000113.7T65 D69 L70 Y71T65-M67 PolarHBondContact O-N 2.89Å; T65-M67 VanDerWaalsContact O-N 3.08Å; M67-D69 VanDerWaalsContact C-N 3.28Å; M67-D69 PolarHBondContact O-N 2.89Å; M67-L70 HydrophobicContact CE-CB 4.47Å; M67-L70 HydrophobicContact CE-CD2 3.55Å; M67-L70 WeakPolarHBondContact O-CB 3.39Å; M67-L70 PolarHBondContact O-N 2.96Å; M67-Y71 HydrophobicContact CB-CE1 3.95Å; M67-Y71 HydrophobicContact CB-CE2 3.87Å; M67-Y71 VanDerWaalsContact CB-CZ 3.41Å; M67-Y71 VanDerWaalsContact CB-OH 3.27Å; M67-Y71 WeakPolarHBondContact CB-OH 3.34Å; M67-Y71 PolarHBondContact O-N 2.9Å
68R90.7Very high87.7Confident40 Ų4058.7 Ų58.715%0.15131%0.305CS..Hα-helixtrans-60.4-37-172.5-168.6-173.1-75.9164.4-6.3112.8L9 T65 L70 Y71 I72L9-R68 HydrophobicContact CD2-CG 4.02Å; T65-R68 WeakPolarHBondContact O-CB 3.34Å; T65-R68 PolarHBondContact O-N 2.91Å; R68-L70 VanDerWaalsContact C-N 3.25Å; R68-L70 PolarHBondContact O-N 3.5Å; R68-Y71 PolarHBondContact O-N 3.04Å; R68-I72 HydrophobicContact CG-CD1 3.76Å; R68-I72 HydrophobicContact CG-CG1 4.24Å; R68-I72 WeakPolarHBondContact O-CB 3.38Å; R68-I72 VanDerWaalsContact O-CG1 3.27Å; R68-I72 WeakPolarHBondContact O-CG1 3.49Å; R68-I72 PolarHBondContact O-N 3.06Å
69D93.4Very high87.9Confident72 Ų7258.6 Ų58.639%0.38531%0.305SS..Hα-helixtrans-62-34.7176.8-76.28.3000111.7M67 K73 Q99 V103M67-D69 VanDerWaalsContact C-N 3.28Å; M67-D69 PolarHBondContact O-N 2.89Å; D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 3.19Å; D69-Q99 PolarHBondContact OD1-NE2 3.18Å; D69-V103 HydrophobicContact CB-CG2 4.17Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.41Å
70L93.1Very high88.3Confident81 Ų8158.3 Ų58.342%0.42430%0.302SS..Hα-helixtrans-67.4-44.5175.8-176.964.1000111.4M67 R68 I72 K73 N74M67-L70 HydrophobicContact CE-CB 4.47Å; M67-L70 HydrophobicContact CE-CD2 3.55Å; M67-L70 WeakPolarHBondContact O-CB 3.39Å; M67-L70 PolarHBondContact O-N 2.96Å; R68-L70 VanDerWaalsContact C-N 3.25Å; R68-L70 PolarHBondContact O-N 3.5Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-K73 PolarHBondContact O-N 2.85Å; L70-N74 PolarHBondContact O-N 2.79Å; L70-N74 VanDerWaalsContact O-N 3.09Å; L70-N74 PolarHBondContact O-ND2 2.96Å
71Y93.3Very high89.1Confident28 Ų2857.4 Ų57.411%0.1129%0.293CS..Hα-helixtrans-61.5-45.7177.2-50.3-31.9000111E37 L56 T58 M67 R68 N74 G75E37-Y71 WeakPolarHBondContact OE2-CE1 3.39Å; E37-Y71 PolarHBondContact OE2-OH 2.9Å; L56-Y71 HydrophobicContact CD2-CD1 3.44Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.44Å; L56-Y71 HydrophobicContact CD2-CD2 4.31Å; L56-Y71 HydrophobicContact CD2-CE1 4.1Å; L56-Y71 HydrophobicContact CD2-CG 3.57Å; T58-Y71 HydrophobicContact CG2-CD2 3.94Å; T58-Y71 HydrophobicContact CG2-CE2 4.31Å; M67-Y71 HydrophobicContact CB-CE1 3.95Å; M67-Y71 HydrophobicContact CB-CE2 3.87Å; M67-Y71 VanDerWaalsContact CB-CZ 3.41Å; M67-Y71 VanDerWaalsContact CB-OH 3.27Å; M67-Y71 WeakPolarHBondContact CB-OH 3.34Å; M67-Y71 PolarHBondContact O-N 2.9Å; R68-Y71 PolarHBondContact O-N 3.04Å; Y71-N74 PolarHBondContact O-N 2.97Å; Y71-G75 PolarHBondContact O-N 2.93Å
72I96Very high90.1Very high1 Ų155.2 Ų55.21%0.00528%0.279CS..Hα-helixtrans-64.3-44.2178.2-66.2169.3000110.5L9 R68 L70 N74 G75 F78 Q99 I100 V103 K104L9-I72 HydrophobicContact CD1-CD1 4.47Å; L9-I72 HydrophobicContact CD1-CG1 4.24Å; R68-I72 HydrophobicContact CG-CD1 3.76Å; R68-I72 HydrophobicContact CG-CG1 4.24Å; R68-I72 WeakPolarHBondContact O-CB 3.38Å; R68-I72 VanDerWaalsContact O-CG1 3.27Å; R68-I72 WeakPolarHBondContact O-CG1 3.49Å; R68-I72 PolarHBondContact O-N 3.06Å; L70-I72 VanDerWaalsContact C-N 3.34Å; I72-N74 VanDerWaalsContact C-N 3.26Å; I72-N74 PolarHBondContact O-N 3.17Å; I72-G75 PolarHBondContact O-N 2.86Å; I72-F78 HydrophobicContact CB-CE1 4.28Å; I72-F78 HydrophobicContact CG1-CE1 4.16Å; I72-F78 HydrophobicContact CG2-CE1 4.26Å; I72-F78 HydrophobicContact CG2-CZ 4.15Å; I72-F78 WeakPolarHBondContact O-CZ 3.37Å; I72-Q99 HydrophobicContact CD1-CB 4.49Å; I72-Q99 HydrophobicContact CD1-CG 3.84Å; I72-I100 HydrophobicContact CD1-CG1 3.86Å; I72-I100 HydrophobicContact CG1-CG1 4.09Å; I72-I100 HydrophobicContact CG2-CB 4.38Å; I72-I100 HydrophobicContact CG2-CG1 4.23Å; I72-I100 HydrophobicContact CG2-CG2 4.41Å; I72-V103 HydrophobicContact CB-CB 4.27Å; I72-V103 HydrophobicContact CB-CG1 3.95Å; I72-V103 HydrophobicContact CG2-CB 3.62Å; I72-V103 HydrophobicContact CG2-CG1 3.62Å; I72-V103 HydrophobicContact CG2-CG2 4.41Å; I72-K104 HydrophobicContact CG2-CD 4.47Å; I72-K104 HydrophobicContact CG2-CG 4.09Å; I72-K104 WeakPolarHBondContact O-CE 3.33Å; I72-K104 PolarHBondContact O-NZ 3.33Å
73K96.1Very high91.4Very high147 Ų14747.3 Ų47.364%0.63924%0.243SC*.Hα-helixtrans-56.8-42.5177.7-173.1173.1-177.3175.40111.5D69 L70 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 3.19Å; L70-K73 PolarHBondContact O-N 2.85Å; K73-V103 HydrophobicContact CB-CG1 4.07Å; K73-K104 PolarHBondContact O-NZ 3.24Å
74N95.4Very high92.7Very high94 Ų9440.1 Ų40.150%0.50321%0.209SC..Hα-helixtrans-86.5-24.3-175.7-65.9-24.1000115.1L70 Y71 I72L70-N74 PolarHBondContact O-N 2.79Å; L70-N74 VanDerWaalsContact O-N 3.09Å; L70-N74 PolarHBondContact O-ND2 2.96Å; Y71-N74 PolarHBondContact O-N 2.97Å; I72-N74 VanDerWaalsContact C-N 3.26Å; I72-N74 PolarHBondContact O-N 3.17Å
75G97.5Very high94Very high2 Ų237.7 Ų37.72%0.02120%0.201CC..  trans-72.5143.6-177.900000113.6Y71 I72 F78 K104Y71-G75 PolarHBondContact O-N 2.93Å; I72-G75 PolarHBondContact O-N 2.86Å; G75-F78 WeakPolarHBondContact O-CZ 3.24Å; G75-K104 WeakPolarHBondContact O-CE 3.41Å; G75-K104 PolarHBondContact O-NZ 3.26Å
76Q97.6Very high95.3Very high62 Ų6237.6 Ų37.629%0.2920%0.203SC..SBendtrans-98.9-25.6177.4-64.4171.4-76.900112.7K5 P110 I164K5-Q76 HydrophobicContact CB-CG 4.46Å; K5-Q76 WeakPolarHBondContact O-CA 3.45Å; K5-Q76 PolarHBondContact O-N 2.9Å; Q76-P110 WeakPolarHBondContact O-CD 3.34Å; Q76-P110 WeakPolarHBondContact O-CG 3.39Å; Q76-I164 HydrophobicContact CB-CD1 3.82Å; Q76-I164 HydrophobicContact CB-CG1 4.28Å
77G98.5Very high96.3Very high0 Ų036.3 Ų36.30%018%0.18CC..EExtended strand (participates in β ladder)trans-143.8151.817500000112.1K5 L6 V7 P110K5-G77 PolarHBondContact O-N 2.86Å; L6-G77 CarbonylContact C-O 3.53Å; L6-G77 VanDerWaalsContact CA-O 3.32Å; L6-G77 WeakPolarHBondContact CA-O 3.47Å; V7-G77 PolarHBondContact N-O 3.27Å; G77-P110 CarbonylContact C-O 3.59Å; G77-P110 VanDerWaalsContact CA-O 3.25Å; G77-P110 WeakPolarHBondContact CA-O 3.35Å
78F98.7Very high97Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-128.4129.6-168.4-60.5-84.4000112V7 L9 I72 G75 I100 K104 V109 P110 L111 I112V7-F78 HydrophobicContact CB-CD1 3.87Å; V7-F78 HydrophobicContact CB-CE1 3.91Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 3.94Å; V7-F78 WeakPolarHBondContact O-CA 3.32Å; L9-F78 HydrophobicContact CD1-CD1 4.14Å; I72-F78 HydrophobicContact CB-CE1 4.28Å; I72-F78 HydrophobicContact CG1-CE1 4.16Å; I72-F78 HydrophobicContact CG2-CE1 4.26Å; I72-F78 HydrophobicContact CG2-CZ 4.15Å; I72-F78 WeakPolarHBondContact O-CZ 3.37Å; G75-F78 WeakPolarHBondContact O-CZ 3.24Å; F78-I100 HydrophobicContact CB-CD1 3.86Å; F78-I100 HydrophobicContact CD1-CD1 4.02Å; F78-I100 HydrophobicContact CD1-CG1 4.28Å; F78-I100 HydrophobicContact CD2-CG2 4.03Å; F78-I100 HydrophobicContact CE2-CG2 4.2Å; F78-I100 HydrophobicContact CG-CD1 3.86Å; F78-I100 HydrophobicContact CG-CG1 4.39Å; F78-I100 HydrophobicContact CG-CG2 4.35Å; F78-K104 HydrophobicContact CE2-CG 4.43Å; F78-V109 HydrophobicContact CD2-CG1 3.38Å; F78-V109 HydrophobicContact CE2-CG1 3.47Å; F78-V109 VanDerWaalsContact CE2-CG1 3.47Å; F78-P110 PolarHBondContact N-O 3.42Å; F78-L111 HydrophobicContact CB-CD1 4.18Å; F78-L111 HydrophobicContact CB-CG 4.28Å; F78-L111 WeakPolarHBondContact O-CA 3.09Å; F78-I112 PolarHBondContact O-N 3.35Å
79V98.9Very high97.4Very high2 Ų233.4 Ų33.41%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-96.7120.7165.2-178.70000107.7V7 V8 L9 C81 I112 V114 I156 L160V7-V79 PolarHBondContact O-N 2.98Å; V8-V79 HydrophobicContact CB-CB 4.41Å; V8-V79 HydrophobicContact CG1-CB 4.08Å; V8-V79 HydrophobicContact CG1-CG1 4.15Å; V8-V79 HydrophobicContact CG2-CB 4.26Å; V8-V79 HydrophobicContact CG2-CG2 4.3Å; L9-V79 PolarHBondContact N-O 3.38Å; V79-C81 HydrophobicContact CG1-CB 4.31Å; V79-I112 HydrophobicContact CB-CG2 4.49Å; V79-I112 HydrophobicContact CG2-CG2 4.06Å; V79-V114 HydrophobicContact CG1-CB 4.06Å; V79-V114 HydrophobicContact CG1-CG2 3.65Å; V79-I156 HydrophobicContact CB-CG2 4.49Å; V79-I156 HydrophobicContact CG1-CG2 4.15Å; V79-I156 HydrophobicContact CG2-CG2 3.5Å; V79-L160 HydrophobicContact CG2-CD1 3.49Å; V79-L160 VanDerWaalsContact CG2-CD1 3.49Å
80L98.7Very high97.7Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-100.7100.2168.6-68.7-167.6000108.9L9 L93 L96 H97 I100 L111 I112 I113 V114L9-L80 HydrophobicContact CB-CD2 3.89Å; L9-L80 HydrophobicContact CD1-CD2 4.22Å; L80-L93 HydrophobicContact CB-CD2 4.03Å; L80-L96 HydrophobicContact CD1-CB 4.36Å; L80-L96 HydrophobicContact CD2-CB 3.79Å; L80-L96 HydrophobicContact CD2-CD1 4.28Å; L80-H97 HydrophobicContact CD1-CB 3.87Å; L80-I100 HydrophobicContact CD1-CD1 4.4Å; L80-I100 HydrophobicContact CD2-CD1 3.7Å; L80-I100 HydrophobicContact CG-CD1 4.24Å; L80-L111 HydrophobicContact CD1-CD1 3.96Å; L80-L111 HydrophobicContact CD1-CD2 4.1Å; L80-L111 HydrophobicContact CD1-CG 4.45Å; L80-L111 HydrophobicContact CG-CD1 4.1Å; L80-L111 HydrophobicContact CG-CD2 4.24Å; L80-L111 HydrophobicContact CG-CG 4.32Å; L80-I112 PolarHBondContact N-O 3.38Å; L80-I113 HydrophobicContact CB-CG1 4.47Å; L80-I113 CarbonylContact O-C 3.55Å; L80-I113 WeakPolarHBondContact O-CA 3.24Å; L80-V114 PolarHBondContact O-N 3.08Å
81C98.9Very high97.9Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-99.4129.6-172.6-171.90000111.5L9 G10 V14 K16 V79 V114L9-C81 PolarHBondContact O-N 3.1Å; G10-C81 VanDerWaalsContact CA-O 3.3Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; V14-C81 HydrophobicContact CG2-CB 4.1Å; K16-C81 HydrophobicContact CG-CB 4.1Å; V79-C81 HydrophobicContact CG1-CB 4.31Å; C81-V114 WeakPolarHBondContact CA-O 3.2Å
82Y98.9Very high98.1Very high0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-123.1167.7166.175.1-80.3000109.6V84 S89 F90 L93 I113 V114 N116 V126 F142Y82-V84 HydrophobicContact CE2-CG1 4.22Å; Y82-S89 WeakPolarHBondContact CB-O 3.21Å; Y82-F90 HydrophobicContact CD1-CD2 4.08Å; Y82-F90 HydrophobicContact CD2-CB 3.81Å; Y82-F90 AromaticContact CD2-CD2 3.92Å; Y82-F90 HydrophobicContact CD2-CD2 3.92Å; Y82-F90 HydrophobicContact CD2-CG 4.35Å; Y82-F90 AromaticContact CE1-CD2 3.93Å; Y82-F90 HydrophobicContact CE1-CD2 3.93Å; Y82-F90 HydrophobicContact CE1-CE2 4.39Å; Y82-F90 HydrophobicContact CE2-CB 4.34Å; Y82-F90 AromaticContact CE2-CD2 3.83Å; Y82-F90 HydrophobicContact CE2-CD2 3.83Å; Y82-F90 HydrophobicContact CE2-CG 4.5Å; Y82-F90 HydrophobicContact CG-CB 4.16Å; Y82-F90 HydrophobicContact CG-CD2 4.06Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; Y82-L93 HydrophobicContact CD1-CD1 3.59Å; Y82-L93 HydrophobicContact CE1-CD1 4.34Å; Y82-L93 HydrophobicContact CG-CD1 4.06Å; Y82-I113 HydrophobicContact CD1-CG2 4.07Å; Y82-I113 HydrophobicContact CE1-CG2 3.89Å; Y82-V114 WeakPolarHBondContact CD1-O 3.36Å; Y82-V114 PolarHBondContact N-O 3.47Å; Y82-N116 PolarHBondContact O-N 3.2Å; Y82-V126 HydrophobicContact CD2-CG2 4.47Å; Y82-V126 HydrophobicContact CE2-CB 3.87Å; Y82-V126 HydrophobicContact CE2-CG1 3.64Å; Y82-V126 HydrophobicContact CE2-CG2 4.21Å; Y82-F142 HydrophobicContact CE1-CE2 4.07Å
83S98.8Very high98.2Very high2 Ų234.3 Ų34.31%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-102.1133.7170.5-173.90000110.4T85 S86 S89 N116 K117S83-T85 PolarHBondContact O-N 3.46Å; S83-T85 PolarHBondContact OG-OG1 2.95Å; S83-S86 PolarHBondContact O-N 3.12Å; S83-S89 PolarHBondContact N-OG 3.32Å; S83-N116 WeakPolarHBondContact CA-O 3.31Å; S83-K117 VanDerWaalsContact OG-CD 3.26Å; S83-K117 WeakPolarHBondContact OG-CD 3.16Å; S83-K117 WeakPolarHBondContact OG-CE 3.12Å
84V98.9Very high98.3Very high0 Ų031.4 Ų31.40%017%0.171CC..THydrogen-bonded Turntrans-61.4-16.4176.7-56.20000113.1Y82 N116 K117 R124 V125 V126Y82-V84 HydrophobicContact CE2-CG1 4.22Å; V84-N116 PolarHBondContact N-O 3.27Å; V84-K117 VanDerWaalsContact CG2-O 3.23Å; V84-K117 WeakPolarHBondContact CG2-O 3.44Å; V84-R124 HydrophobicContact CB-CG 4.33Å; V84-V125 PolarHBondContact O-N 2.96Å; V84-V126 PolarHBondContact O-N 3.45Å
85T98.8Very high98.3Very high35 Ų3528.9 Ų28.922%0.21517%0.167CC..THydrogen-bonded Turntrans-93.95.6176.671.90000113.2S83 L120 E123 V125S83-T85 PolarHBondContact O-N 3.46Å; S83-T85 PolarHBondContact OG-OG1 2.95Å; T85-L120 HydrophobicContact CG2-CB 3.77Å; T85-L120 HydrophobicContact CG2-CD1 3.98Å; T85-E123 WeakPolarHBondContact CA-O 3.45Å; T85-E123 WeakPolarHBondContact CB-O 3.23Å; T85-E123 HydrophobicContact CG2-CB 3.59Å; T85-E123 WeakPolarHBondContact CG2-O 2.84Å; T85-V125 VanDerWaalsContact C-CG2 3.49Å
86S98.7Very high98.2Very high35 Ų3529 Ų2925%0.24517%0.167CC..  trans-138.6102.1-179.3173.60000112.4S83 S88 S89 F90S83-S86 PolarHBondContact O-N 3.12Å; S86-S88 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 3.21Å; S86-S88 PolarHBondContact OG-OG 3.01Å; S86-S88 VanDerWaalsContact OG-OG 3.09Å; S86-S89 WeakPolarHBondContact CB-OG 3.49Å; S86-S89 PolarHBondContact O-N 2.84Å; S86-S89 PolarHBondContact O-OG 3.35Å; S86-S89 PolarHBondContact OG-N 3.4Å; S86-S89 PolarHBondContact OG-OG 2.93Å; S86-F90 PolarHBondContact O-N 3.19Å
87Q98.7Very high98.1Very high65 Ų6526.7 Ų26.730%0.30416%0.156SC..Hα-helixtrans-61.7-36.4175.8-175.562.660.300112.5S89 F90 N91 V125 V126Q87-S89 VanDerWaalsContact C-N 3.35Å; Q87-S89 PolarHBondContact O-N 3.25Å; Q87-F90 WeakPolarHBondContact O-CB 3.4Å; Q87-F90 PolarHBondContact O-N 2.9Å; Q87-N91 PolarHBondContact NE2-OD1 2.95Å; Q87-N91 PolarHBondContact O-N 2.93Å; Q87-N91 PolarHBondContact O-ND2 3.38Å; Q87-N91 PolarHBondContact O-OD1 2.91Å; Q87-V125 HydrophobicContact CB-CG2 4.15Å; Q87-V126 HydrophobicContact CB-CG2 4.44Å
88S98.3Very high98Very high74 Ų7431.4 Ų31.452%0.51718%0.178SC..Hα-helixtrans-60.7-44.4176.352.40000111.5S86 F90 N91 D92S86-S88 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 3.21Å; S86-S88 PolarHBondContact OG-OG 3.01Å; S86-S88 VanDerWaalsContact OG-OG 3.09Å; S88-F90 PolarHBondContact O-N 2.91Å; S88-N91 WeakPolarHBondContact O-CB 3.32Å; S88-N91 PolarHBondContact O-N 3.36Å; S88-D92 VanDerWaalsContact O-CG 3.31Å; S88-D92 PolarHBondContact O-N 3.2Å; S88-D92 VanDerWaalsContact O-N 3.09Å
89S98.5Very high97.8Very high1 Ų133 Ų331%0.00719%0.186CC..Hα-helixtrans-63.2-28.2178.174.30000113.9S11 Y82 S83 S86 Q87S11-S89 WeakPolarHBondContact OG-CA 3.2Å; Y82-S89 WeakPolarHBondContact CB-O 3.21Å; S83-S89 PolarHBondContact N-OG 3.32Å; S86-S89 WeakPolarHBondContact CB-OG 3.49Å; S86-S89 PolarHBondContact O-N 2.84Å; S86-S89 PolarHBondContact O-OG 3.35Å; S86-S89 PolarHBondContact OG-N 3.4Å; S86-S89 PolarHBondContact OG-OG 2.93Å; Q87-S89 VanDerWaalsContact C-N 3.35Å; Q87-S89 PolarHBondContact O-N 3.25Å
90F98.9Very high97.7Very high21 Ų2132.9 Ų32.99%0.09219%0.185CC..Hα-helixtrans-73-41.1173176.7-96.1000111.7Y82 S86 Q87 S88 D92 L93 V126 Q130 L134Y82-F90 HydrophobicContact CD1-CD2 4.08Å; Y82-F90 HydrophobicContact CD2-CB 3.81Å; Y82-F90 AromaticContact CD2-CD2 3.92Å; Y82-F90 HydrophobicContact CD2-CD2 3.92Å; Y82-F90 HydrophobicContact CD2-CG 4.35Å; Y82-F90 AromaticContact CE1-CD2 3.93Å; Y82-F90 HydrophobicContact CE1-CD2 3.93Å; Y82-F90 HydrophobicContact CE1-CE2 4.39Å; Y82-F90 HydrophobicContact CE2-CB 4.34Å; Y82-F90 AromaticContact CE2-CD2 3.83Å; Y82-F90 HydrophobicContact CE2-CD2 3.83Å; Y82-F90 HydrophobicContact CE2-CG 4.5Å; Y82-F90 HydrophobicContact CG-CB 4.16Å; Y82-F90 HydrophobicContact CG-CD2 4.06Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; S86-F90 PolarHBondContact O-N 3.19Å; Q87-F90 WeakPolarHBondContact O-CB 3.4Å; Q87-F90 PolarHBondContact O-N 2.9Å; S88-F90 PolarHBondContact O-N 2.91Å; F90-D92 VanDerWaalsContact C-N 3.25Å; F90-D92 PolarHBondContact O-N 3.32Å; F90-L93 HydrophobicContact CD2-CD1 3.98Å; F90-L93 HydrophobicContact CE2-CD1 4.45Å; F90-L93 WeakPolarHBondContact O-CB 3.3Å; F90-L93 VanDerWaalsContact O-CG 3.26Å; F90-L93 WeakPolarHBondContact O-CG 3.44Å; F90-L93 PolarHBondContact O-N 3.4Å; F90-V126 HydrophobicContact CB-CG1 4.43Å; F90-V126 HydrophobicContact CB-CG2 4Å; F90-V126 HydrophobicContact CD2-CG1 3.89Å; F90-V126 HydrophobicContact CE2-CG1 4.25Å; F90-V126 HydrophobicContact CG-CG1 4.03Å; F90-V126 HydrophobicContact CG-CG2 4.43Å; F90-Q130 HydrophobicContact CE1-CB 4.41Å; F90-Q130 HydrophobicContact CE2-CB 4.48Å; F90-Q130 HydrophobicContact CZ-CB 3.97Å; F90-L134 HydrophobicContact CD2-CD2 4.36Å; F90-L134 HydrophobicContact CE1-CD2 4.33Å; F90-L134 HydrophobicContact CE2-CB 4.2Å; F90-L134 HydrophobicContact CE2-CD2 3.65Å; F90-L134 HydrophobicContact CZ-CB 3.83Å; F90-L134 HydrophobicContact CZ-CD2 3.66Å; F90-L134 HydrophobicContact CZ-CG 4.33Å
91N98.5Very high97.6Very high100 Ų10036.8 Ų36.854%0.53520%0.203SC..Hα-helixtrans-64.5-32179.3-62.5-12.2000112Q87 S88 L93Q87-N91 PolarHBondContact NE2-OD1 2.95Å; Q87-N91 PolarHBondContact O-N 2.93Å; Q87-N91 PolarHBondContact O-ND2 3.38Å; Q87-N91 PolarHBondContact O-OD1 2.91Å; S88-N91 WeakPolarHBondContact O-CB 3.32Å; S88-N91 PolarHBondContact O-N 3.36Å; N91-L93 PolarHBondContact O-N 2.88Å
92D97Very high97.4Very high80 Ų8045 Ų4543%0.42823%0.234SC..Hα-helixtrans-65.9-20.9178.8-65.6-18.5000113.5S11 S88 F90 Q94 G95 L96S11-D92 PolarHBondContact OG-OD2 2.85Å; S88-D92 VanDerWaalsContact O-CG 3.31Å; S88-D92 PolarHBondContact O-N 3.2Å; S88-D92 VanDerWaalsContact O-N 3.09Å; F90-D92 VanDerWaalsContact C-N 3.25Å; F90-D92 PolarHBondContact O-N 3.32Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 2.94Å; D92-G95 PolarHBondContact O-N 3.16Å; D92-L96 PolarHBondContact O-N 2.93Å
93L98.4Very high97.3Very high0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-64.2-34.3-173.1-59.5177.8000113.2L80 Y82 F90 N91 L96 H97 I113 L134L80-L93 HydrophobicContact CB-CD2 4.03Å; Y82-L93 HydrophobicContact CD1-CD1 3.59Å; Y82-L93 HydrophobicContact CE1-CD1 4.34Å; Y82-L93 HydrophobicContact CG-CD1 4.06Å; F90-L93 HydrophobicContact CD2-CD1 3.98Å; F90-L93 HydrophobicContact CE2-CD1 4.45Å; F90-L93 WeakPolarHBondContact O-CB 3.3Å; F90-L93 VanDerWaalsContact O-CG 3.26Å; F90-L93 WeakPolarHBondContact O-CG 3.44Å; F90-L93 PolarHBondContact O-N 3.4Å; N91-L93 PolarHBondContact O-N 2.88Å; L93-L96 HydrophobicContact CD2-CD1 4.47Å; L93-L96 PolarHBondContact O-N 2.91Å; L93-H97 WeakPolarHBondContact O-CB 3.26Å; L93-H97 PolarHBondContact O-N 3.24Å; L93-I113 HydrophobicContact CD1-CG2 3.81Å; L93-L134 HydrophobicContact CB-CD2 4.12Å; L93-L134 HydrophobicContact CD1-CD2 3.91Å
94Q97Very high97.2Very high86 Ų8649.2 Ų49.240%0.40226%0.255SS..Hα-helixtrans-63.6-46.2-179.6-179.3172.4-17.200111D92 L96 H97 E98D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 2.94Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 2.97Å; Q94-H97 WeakPolarHBondContact O-CB 3.21Å; Q94-H97 PolarHBondContact O-N 2.82Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.39Å; Q94-E98 PolarHBondContact NE2-OE1 3.11Å; Q94-E98 WeakPolarHBondContact O-CG 3.48Å; Q94-E98 PolarHBondContact O-N 2.88Å
95G95.2Very high96.9Very high41 Ų4156.2 Ų56.242%0.42329%0.293SS..Hα-helixtrans-63.1-37.2176.800000112.6D92 Q99D92-G95 PolarHBondContact O-N 3.16Å; G95-Q99 WeakPolarHBondContact O-CB 3.48Å; G95-Q99 PolarHBondContact O-N 3.04Å
96L95.7Very high96.4Very high6 Ų658.3 Ų58.33%0.03131%0.305CS..Hα-helixtrans-63.9-43173.7-70.7170.7000112.2L80 D92 L93 Q94 Q99 I100L80-L96 HydrophobicContact CD1-CB 4.36Å; L80-L96 HydrophobicContact CD2-CB 3.79Å; L80-L96 HydrophobicContact CD2-CD1 4.28Å; D92-L96 PolarHBondContact O-N 2.93Å; L93-L96 HydrophobicContact CD2-CD1 4.47Å; L93-L96 PolarHBondContact O-N 2.91Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 2.97Å; L96-Q99 PolarHBondContact O-N 2.66Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 3.46Å
97H97.1Very high95.7Very high13 Ų1362.3 Ų62.36%0.0633%0.334CS..Hα-helixtrans-63.6-46.8177.4177.6-92.5000111.9L80 L93 Q94 Q99 I100 Q101 L138L80-H97 HydrophobicContact CD1-CB 3.87Å; L93-H97 WeakPolarHBondContact O-CB 3.26Å; L93-H97 PolarHBondContact O-N 3.24Å; Q94-H97 WeakPolarHBondContact O-CB 3.21Å; Q94-H97 PolarHBondContact O-N 2.82Å; H97-Q99 VanDerWaalsContact C-N 3.29Å; H97-Q99 PolarHBondContact O-N 2.86Å; H97-I100 WeakPolarHBondContact O-CB 3.33Å; H97-I100 PolarHBondContact O-N 2.92Å; H97-I100 VanDerWaalsContact O-N 3.12Å; H97-Q101 PolarHBondContact CE1-NE2 2.84Å; H97-Q101 VanDerWaalsContact CE1-NE2 3.28Å; H97-Q101 PolarHBondContact CE1-OE1 3.2Å; H97-Q101 PolarHBondContact ND1-OE1 3.33Å; H97-Q101 WeakPolarHBondContact O-CG 3.31Å; H97-Q101 PolarHBondContact O-N 3.04Å; H97-L138 HydrophobicContact CB-CD1 3.91Å
98E95.5Very high95.2Very high99 Ų9962.9 Ų62.946%0.46334%0.339SS..Hα-helixtrans-59.7-40.7176.3-71.9170.6-171.900111.5Q94 Q101 R102Q94-E98 WeakPolarHBondContact CG-OE1 3.39Å; Q94-E98 PolarHBondContact NE2-OE1 3.11Å; Q94-E98 WeakPolarHBondContact O-CG 3.48Å; Q94-E98 PolarHBondContact O-N 2.88Å; E98-Q101 PolarHBondContact O-N 3.33Å; E98-R102 WeakPolarHBondContact O-CB 3.21Å; E98-R102 PolarHBondContact O-N 2.83Å
99Q94.9Very high95Very high32 Ų3260.1 Ų60.115%0.1532%0.319CS..Hα-helixtrans-62.6-43.2174.1-173.11748.300111.8D69 I72 G95 L96 H97 R102 V103D69-Q99 PolarHBondContact OD1-NE2 3.18Å; I72-Q99 HydrophobicContact CD1-CB 4.49Å; I72-Q99 HydrophobicContact CD1-CG 3.84Å; G95-Q99 WeakPolarHBondContact O-CB 3.48Å; G95-Q99 PolarHBondContact O-N 3.04Å; L96-Q99 PolarHBondContact O-N 2.66Å; H97-Q99 VanDerWaalsContact C-N 3.29Å; H97-Q99 PolarHBondContact O-N 2.86Å; Q99-R102 PolarHBondContact O-N 2.85Å; Q99-V103 HydrophobicContact CG-CG2 4.49Å; Q99-V103 WeakPolarHBondContact O-CG2 3.44Å; Q99-V103 PolarHBondContact O-N 2.9Å
100I96.9Very high95Very high0 Ų060.2 Ų60.20%032%0.32CS..Hα-helixtrans-59.2-51.2176.1-71164.6000110.8L9 I72 F78 L80 L96 H97 R102 V103 K104 V109 L111L9-I100 HydrophobicContact CD1-CD1 3.92Å; L9-I100 HydrophobicContact CD1-CG1 4.23Å; I72-I100 HydrophobicContact CD1-CG1 3.86Å; I72-I100 HydrophobicContact CG1-CG1 4.09Å; I72-I100 HydrophobicContact CG2-CB 4.38Å; I72-I100 HydrophobicContact CG2-CG1 4.23Å; I72-I100 HydrophobicContact CG2-CG2 4.41Å; F78-I100 HydrophobicContact CB-CD1 3.86Å; F78-I100 HydrophobicContact CD1-CD1 4.02Å; F78-I100 HydrophobicContact CD1-CG1 4.28Å; F78-I100 HydrophobicContact CD2-CG2 4.03Å; F78-I100 HydrophobicContact CE2-CG2 4.2Å; F78-I100 HydrophobicContact CG-CD1 3.86Å; F78-I100 HydrophobicContact CG-CG1 4.39Å; F78-I100 HydrophobicContact CG-CG2 4.35Å; L80-I100 HydrophobicContact CD1-CD1 4.4Å; L80-I100 HydrophobicContact CD2-CD1 3.7Å; L80-I100 HydrophobicContact CG-CD1 4.24Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 3.46Å; H97-I100 WeakPolarHBondContact O-CB 3.33Å; H97-I100 PolarHBondContact O-N 2.92Å; H97-I100 VanDerWaalsContact O-N 3.12Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.47Å; I100-V103 PolarHBondContact O-N 2.99Å; I100-K104 HydrophobicContact CG2-CG 4.18Å; I100-K104 VanDerWaalsContact O-CB 3.23Å; I100-K104 WeakPolarHBondContact O-CB 3.02Å; I100-K104 WeakPolarHBondContact O-CG 3.46Å; I100-K104 PolarHBondContact O-N 3.14Å; I100-V109 HydrophobicContact CG2-CB 4.25Å; I100-V109 HydrophobicContact CG2-CG1 3.88Å; I100-V109 HydrophobicContact CG2-CG2 4.2Å; I100-L111 HydrophobicContact CD1-CD1 3.78Å; I100-L111 HydrophobicContact CG2-CD1 4.47Å
101Q96.1Very high95Very high82 Ų8259.4 Ų59.438%0.38332%0.316SS..Hα-helixtrans-59-46-179.4-71.3-174.3-53.100111.6H97 E98 V103 K104 D105H97-Q101 PolarHBondContact CE1-NE2 2.84Å; H97-Q101 VanDerWaalsContact CE1-NE2 3.28Å; H97-Q101 PolarHBondContact CE1-OE1 3.2Å; H97-Q101 PolarHBondContact ND1-OE1 3.33Å; H97-Q101 WeakPolarHBondContact O-CG 3.31Å; H97-Q101 PolarHBondContact O-N 3.04Å; E98-Q101 PolarHBondContact O-N 3.33Å; Q101-V103 PolarHBondContact O-N 2.72Å; Q101-K104 PolarHBondContact O-N 3.05Å; Q101-D105 PolarHBondContact O-N 3.36Å
102R95.4Very high95Very high173 Ų17354.8 Ų54.865%0.65329%0.291SS*.Hα-helixtrans-61.2-44.8179.4-178.8-178.963.4173.81.1112.9E98 Q99 I100E98-R102 WeakPolarHBondContact O-CB 3.21Å; E98-R102 PolarHBondContact O-N 2.83Å; Q99-R102 PolarHBondContact O-N 2.85Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.47Å
103V96.5Very high95.1Very high39 Ų3951 Ų5124%0.23627%0.271CS..Hα-helixtrans-75.2-33.1-178.1173.30000111.4D69 I72 K73 Q99 I100 Q101D69-V103 HydrophobicContact CB-CG2 4.17Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.41Å; I72-V103 HydrophobicContact CB-CB 4.27Å; I72-V103 HydrophobicContact CB-CG1 3.95Å; I72-V103 HydrophobicContact CG2-CB 3.62Å; I72-V103 HydrophobicContact CG2-CG1 3.62Å; I72-V103 HydrophobicContact CG2-CG2 4.41Å; K73-V103 HydrophobicContact CB-CG1 4.07Å; Q99-V103 HydrophobicContact CG-CG2 4.49Å; Q99-V103 WeakPolarHBondContact O-CG2 3.44Å; Q99-V103 PolarHBondContact O-N 2.9Å; I100-V103 PolarHBondContact O-N 2.99Å; Q101-V103 PolarHBondContact O-N 2.72Å
104K95.7Very high95.2Very high51 Ų5151 Ų5122%0.22227%0.271CS..Hα-helixtrans-79.1-27.8179.8-75.7-54.5-157.8-171.30114.2I72 K73 G75 F78 I100 Q101 V106 V109I72-K104 HydrophobicContact CG2-CD 4.47Å; I72-K104 HydrophobicContact CG2-CG 4.09Å; I72-K104 WeakPolarHBondContact O-CE 3.33Å; I72-K104 PolarHBondContact O-NZ 3.33Å; K73-K104 PolarHBondContact O-NZ 3.24Å; G75-K104 WeakPolarHBondContact O-CE 3.41Å; G75-K104 PolarHBondContact O-NZ 3.26Å; F78-K104 HydrophobicContact CE2-CG 4.43Å; I100-K104 HydrophobicContact CG2-CG 4.18Å; I100-K104 VanDerWaalsContact O-CB 3.23Å; I100-K104 WeakPolarHBondContact O-CB 3.02Å; I100-K104 WeakPolarHBondContact O-CG 3.46Å; I100-K104 PolarHBondContact O-N 3.14Å; Q101-K104 PolarHBondContact O-N 3.05Å; K104-V106 HydrophobicContact CB-CG2 4.06Å; K104-V106 PolarHBondContact O-N 2.81Å; K104-V109 HydrophobicContact CB-CG2 3.78Å; K104-V109 HydrophobicContact CG-CG1 4.29Å; K104-V109 HydrophobicContact CG-CG2 3.92Å
105D94Very high95.2Very high147 Ų14746.9 Ų46.979%0.78625%0.252SS*.THydrogen-bonded Turntrans51.939.3179.4-162.533000112.8Q101Q101-D105 PolarHBondContact O-N 3.36Å
106V88.2Confident95.4Very high79 Ų7945.1 Ų45.148%0.47923%0.233SC..SBendtrans-134.8151.2174.6-62.40000110.8K104 N108 V109K104-V106 HydrophobicContact CB-CG2 4.06Å; K104-V106 PolarHBondContact O-N 2.81Å; V106-N108 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 3.09Å; V106-V109 HydrophobicContact CG2-CG2 3.58Å
107S82.4Confident95.6Very high120 Ų12047.7 Ų47.784%0.83924%0.243SC*.SBendtrans-70.2-24.5-175.656.60000114.4
108N88.4Confident95.6Very high76 Ų7648.1 Ų48.141%0.40625%0.248SC..  trans-141.2118.9-179-173.518.7000110.7V106 Q167V106-N108 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 3.09Å; N108-Q167 PolarHBondContact O-NE2 3.25Å
109V95.4Very high95.8Very high16 Ų1646 Ų4610%0.09724%0.24CC..  trans-113.1133.3178.9-178.20000108.3F78 I100 K104 V106 L111F78-V109 HydrophobicContact CD2-CG1 3.38Å; F78-V109 HydrophobicContact CE2-CG1 3.47Å; F78-V109 VanDerWaalsContact CE2-CG1 3.47Å; I100-V109 HydrophobicContact CG2-CB 4.25Å; I100-V109 HydrophobicContact CG2-CG1 3.88Å; I100-V109 HydrophobicContact CG2-CG2 4.2Å; K104-V109 HydrophobicContact CB-CG2 3.78Å; K104-V109 HydrophobicContact CG-CG1 4.29Å; K104-V109 HydrophobicContact CG-CG2 3.92Å; V106-V109 HydrophobicContact CG2-CG2 3.58Å; V109-L111 WeakPolarHBondContact O-CB 3.35Å; V109-L111 PolarHBondContact O-N 2.87Å
110P98.3Very high95.9Very high4 Ų446.6 Ų46.63%0.02624%0.244CC..  trans-56.8112.1174-26.838.3000110.4Q76 G77 F78 L160 Q163 I164 Q167Q76-P110 WeakPolarHBondContact O-CD 3.34Å; Q76-P110 WeakPolarHBondContact O-CG 3.39Å; G77-P110 CarbonylContact C-O 3.59Å; G77-P110 VanDerWaalsContact CA-O 3.25Å; G77-P110 WeakPolarHBondContact CA-O 3.35Å; F78-P110 PolarHBondContact N-O 3.42Å; P110-L160 HydrophobicContact CB-CD2 4.49Å; P110-Q163 VanDerWaalsContact CA-OE1 3.31Å; P110-Q163 HydrophobicContact CB-CB 3.81Å; P110-Q163 HydrophobicContact CG-CB 4.48Å; P110-I164 HydrophobicContact CB-CG1 3.69Å; P110-I164 HydrophobicContact CG-CB 4.43Å; P110-I164 HydrophobicContact CG-CG1 3.71Å; P110-Q167 VanDerWaalsContact CD-OE1 3.27Å
111L98.7Very high96Very high3 Ų349.6 Ų49.62%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-149.7141.3-168.4-169.3146.1000110.9F78 L80 I100 V109 I113 C140 S141 Q163F78-L111 HydrophobicContact CB-CD1 4.18Å; F78-L111 HydrophobicContact CB-CG 4.28Å; F78-L111 WeakPolarHBondContact O-CA 3.09Å; L80-L111 HydrophobicContact CD1-CD1 3.96Å; L80-L111 HydrophobicContact CD1-CD2 4.1Å; L80-L111 HydrophobicContact CD1-CG 4.45Å; L80-L111 HydrophobicContact CG-CD1 4.1Å; L80-L111 HydrophobicContact CG-CD2 4.24Å; L80-L111 HydrophobicContact CG-CG 4.32Å; I100-L111 HydrophobicContact CD1-CD1 3.78Å; I100-L111 HydrophobicContact CG2-CD1 4.47Å; V109-L111 WeakPolarHBondContact O-CB 3.35Å; V109-L111 PolarHBondContact O-N 2.87Å; L111-I113 HydrophobicContact CD2-CG1 4.2Å; L111-C140 HydrophobicContact CB-CB 4.21Å; L111-C140 HydrophobicContact CD2-CB 3.52Å; L111-C140 VanDerWaalsContact CD2-SG 3.54Å; L111-C140 HydrophobicContact CG-CB 4.47Å; L111-S141 PolarHBondContact O-N 2.83Å; L111-Q163 PolarHBondContact O-NE2 3.32Å; L111-Q163 PolarHBondContact O-OE1 3.46Å
112I98.9Very high96.1Very high4 Ų453.9 Ų53.92%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-134.5131.4172.2-174.4168000110.3F78 V79 L80 V114 S141 M143 I156 D159 L160F78-I112 PolarHBondContact O-N 3.35Å; V79-I112 HydrophobicContact CB-CG2 4.49Å; V79-I112 HydrophobicContact CG2-CG2 4.06Å; L80-I112 PolarHBondContact N-O 3.38Å; I112-V114 HydrophobicContact CG1-CG2 4.22Å; I112-V114 HydrophobicContact CG2-CG2 4.27Å; I112-S141 WeakPolarHBondContact CA-O 3.46Å; I112-M143 HydrophobicContact CD1-CB 4.19Å; I112-M143 HydrophobicContact CD1-CE 4.22Å; I112-I156 HydrophobicContact CG2-CG2 3.74Å; I112-D159 HydrophobicContact CD1-CB 4.4Å; I112-L160 HydrophobicContact CB-CD2 4.41Å; I112-L160 HydrophobicContact CG2-CD1 3.96Å; I112-L160 HydrophobicContact CG2-CD2 3.95Å; I112-L160 HydrophobicContact CG2-CG 3.8Å
113I98.9Very high96.2Very high0 Ų051.1 Ų51.10%029%0.289CS..EExtended strand (participates in β ladder)trans-84.1131.4167.6-62.2175.2000108.7L80 Y82 L93 L111 L134 L138 S141 F142 M143L80-I113 HydrophobicContact CB-CG1 4.47Å; L80-I113 CarbonylContact O-C 3.55Å; L80-I113 WeakPolarHBondContact O-CA 3.24Å; Y82-I113 HydrophobicContact CD1-CG2 4.07Å; Y82-I113 HydrophobicContact CE1-CG2 3.89Å; L93-I113 HydrophobicContact CD1-CG2 3.81Å; L111-I113 HydrophobicContact CD2-CG1 4.2Å; I113-L134 HydrophobicContact CD1-CB 4.38Å; I113-L134 HydrophobicContact CD1-CD2 3.97Å; I113-L134 HydrophobicContact CD1-CG 3.86Å; I113-L138 HydrophobicContact CD1-CD1 4.17Å; I113-S141 PolarHBondContact N-O 3.08Å; I113-F142 HydrophobicContact CB-CD2 4.1Å; I113-F142 HydrophobicContact CG2-CD2 3.86Å; I113-F142 HydrophobicContact CG2-CE2 4.44Å; I113-F142 WeakPolarHBondContact O-CA 3.22Å; I113-M143 PolarHBondContact O-N 3.37Å
114V99Very high96.3Very high0 Ų052.8 Ų52.80%029%0.291CS..EExtended strand (participates in β ladder)trans-121.8114.8-177.91730000110.8L19 V79 L80 C81 Y82 I112 N116 M143 T145 I156L19-V114 HydrophobicContact CD1-CG1 3.9Å; V79-V114 HydrophobicContact CG1-CB 4.06Å; V79-V114 HydrophobicContact CG1-CG2 3.65Å; L80-V114 PolarHBondContact O-N 3.08Å; C81-V114 WeakPolarHBondContact CA-O 3.2Å; Y82-V114 WeakPolarHBondContact CD1-O 3.36Å; Y82-V114 PolarHBondContact N-O 3.47Å; I112-V114 HydrophobicContact CG1-CG2 4.22Å; I112-V114 HydrophobicContact CG2-CG2 4.27Å; V114-N116 HydrophobicContact CG1-CB 4.37Å; V114-N116 PolarHBondContact O-N 2.97Å; V114-M143 WeakPolarHBondContact CA-O 3.45Å; V114-T145 HydrophobicContact CG1-CG2 3.88Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.33Å; V114-I156 HydrophobicContact CG1-CD1 3.98Å; V114-I156 HydrophobicContact CG2-CD1 3.87Å; V114-I156 HydrophobicContact CG2-CG1 3.85Å; V114-I156 HydrophobicContact CG2-CG2 3.93Å
115G98.9Very high96.5Very high0 Ų054.2 Ų54.20%030%0.304CS..EExtended strand (participates in β ladder)trans-87.793.2168.500000110.8M143 E144 T145G115-M143 PolarHBondContact N-O 3.49Å; G115-E144 CarbonylContact O-C 3.57Å; G115-E144 VanDerWaalsContact O-CA 3.22Å; G115-E144 WeakPolarHBondContact O-CA 3.46Å; G115-T145 PolarHBondContact O-N 2.95Å
116N98.9Very high96.7Very high3 Ų347.2 Ų47.22%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-85.6164-176.9-170.534.8000112.8V14 G15 L19 Y82 S83 V84 V114 T145 A147V14-N116 PolarHBondContact O-ND2 3.33Å; G15-N116 WeakPolarHBondContact CA-ND2 3.44Å; L19-N116 HydrophobicContact CD1-CB 4.12Å; Y82-N116 PolarHBondContact O-N 3.2Å; S83-N116 WeakPolarHBondContact CA-O 3.31Å; V84-N116 PolarHBondContact N-O 3.27Å; V114-N116 HydrophobicContact CG1-CB 4.37Å; V114-N116 PolarHBondContact O-N 2.97Å; N116-T145 CarbonylContact C-O 3.51Å; N116-T145 VanDerWaalsContact CA-O 3.31Å; N116-T145 WeakPolarHBondContact CA-O 3.33Å; N116-T145 PolarHBondContact OD1-O 2.97Å; N116-T145 PolarHBondContact OD1-OG1 3.11Å; N116-A147 PolarHBondContact OD1-N 2.8Å
117K98.7Very high97.2Very high60 Ų6045.7 Ų45.726%0.26126%0.258SS..  trans67.834.2-176.4-43.4-169.9-163.91710113.4G13 S83 V84 D119 L120 T145G13-K117 VanDerWaalsContact O-CE 3.27Å; G13-K117 WeakPolarHBondContact O-CE 3.4Å; G13-K117 PolarHBondContact O-NZ 2.85Å; S83-K117 VanDerWaalsContact OG-CD 3.26Å; S83-K117 WeakPolarHBondContact OG-CD 3.16Å; S83-K117 WeakPolarHBondContact OG-CE 3.12Å; V84-K117 VanDerWaalsContact CG2-O 3.23Å; V84-K117 WeakPolarHBondContact CG2-O 3.44Å; K117-D119 WeakPolarHBondContact CA-OD1 3.34Å; K117-D119 PolarHBondContact O-N 3.28Å; K117-D119 VanDerWaalsContact O-N 3.11Å; K117-L120 HydrophobicContact CB-CD1 3.99Å; K117-L120 HydrophobicContact CB-CG 4.25Å; K117-L120 HydrophobicContact CD-CD1 3.99Å; K117-L120 PolarHBondContact O-N 2.84Å; K117-T145 PolarHBondContact N-O 3.45Å
118C98.7Very high97.9Very high22 Ų2246.4 Ų46.415%0.14924%0.242CC..THydrogen-bonded Turntrans-64.7-12.4178.870.60000113.9L120 E144 T145C118-L120 PolarHBondContact O-N 2.68Å; C118-E144 HydrophobicContact CB-CB 4.08Å; C118-T145 PolarHBondContact N-O 3.37Å; C118-T145 PolarHBondContact SG-O 3.46Å
119D98.5Very high98.4Very high55 Ų5548.9 Ų48.929%0.29425%0.252SS..THydrogen-bonded Turntrans-67.1-21.7169.357.6-66.3000113.5K117 A121 S146 K148 A149K117-D119 WeakPolarHBondContact CA-OD1 3.34Å; K117-D119 PolarHBondContact O-N 3.28Å; K117-D119 VanDerWaalsContact O-N 3.11Å; D119-A121 VanDerWaalsContact C-N 3.29Å; D119-A121 PolarHBondContact O-N 3.24Å; D119-A121 VanDerWaalsContact O-N 3.15Å; D119-S146 WeakPolarHBondContact OD1-CB 3.49Å; D119-S146 PolarHBondContact OD1-OG 3.29Å; D119-K148 WeakPolarHBondContact OD2-CD 3.37Å; D119-A149 HydrophobicContact CB-CB 4.17Å
120L98.2Very high98.6Very high44 Ų4451.1 Ų51.123%0.2326%0.261CS..  trans-89.660.2178.5-55.8-179.1000111.1T85 K117 C118 D122 E123 R124T85-L120 HydrophobicContact CG2-CB 3.77Å; T85-L120 HydrophobicContact CG2-CD1 3.98Å; K117-L120 HydrophobicContact CB-CD1 3.99Å; K117-L120 HydrophobicContact CB-CG 4.25Å; K117-L120 HydrophobicContact CD-CD1 3.99Å; K117-L120 PolarHBondContact O-N 2.84Å; C118-L120 PolarHBondContact O-N 2.68Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 2.89Å; L120-E123 HydrophobicContact CB-CB 4.21Å; L120-E123 PolarHBondContact O-N 2.61Å; L120-R124 PolarHBondContact O-N 3.24Å
121A97.3Very high98.6Very high64 Ų6450.9 Ų50.953%0.52926%0.26SS..G310 helixtrans-59.2-39.5-174.700000113.2D119 E123 R124D119-A121 VanDerWaalsContact C-N 3.29Å; D119-A121 PolarHBondContact O-N 3.24Å; D119-A121 VanDerWaalsContact O-N 3.15Å; A121-E123 VanDerWaalsContact C-N 3.27Å; A121-E123 PolarHBondContact O-N 3.43Å; A121-R124 VanDerWaalsContact O-CB 3.28Å; A121-R124 WeakPolarHBondContact O-CB 3.46Å; A121-R124 PolarHBondContact O-N 3.3Å
122D98.3Very high98.6Very high172 Ų17253.3 Ų53.392%0.9227%0.271SS*.G310 helixtrans-72.5-20.6-178.4-60.4-31.3000113.1L120L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 2.89Å
123E98.6Very high98.6Very high115 Ų11555.6 Ų55.654%0.53729%0.291SS..G310 helixtrans-98.40.5177.9-63177.8-128.300112.6T85 L120 A121 V125T85-E123 WeakPolarHBondContact CA-O 3.45Å; T85-E123 WeakPolarHBondContact CB-O 3.23Å; T85-E123 HydrophobicContact CG2-CB 3.59Å; T85-E123 WeakPolarHBondContact CG2-O 2.84Å; L120-E123 HydrophobicContact CB-CB 4.21Å; L120-E123 PolarHBondContact O-N 2.61Å; A121-E123 VanDerWaalsContact C-N 3.27Å; A121-E123 PolarHBondContact O-N 3.43Å; E123-V125 PolarHBondContact O-N 2.88Å
124R98.7Very high98.6Very high74 Ų7456.3 Ų56.328%0.27929%0.294SS..  trans-65.2129.5-175.9177.1-178.9-70.5-97.210.8110.8V84 L120 A121 V126 E144V84-R124 HydrophobicContact CB-CG 4.33Å; L120-R124 PolarHBondContact O-N 3.24Å; A121-R124 VanDerWaalsContact O-CB 3.28Å; A121-R124 WeakPolarHBondContact O-CB 3.46Å; A121-R124 PolarHBondContact O-N 3.3Å; R124-V126 WeakPolarHBondContact CD-O 3.45Å; R124-V126 VanDerWaalsContact CG-O 3.24Å; R124-V126 WeakPolarHBondContact CG-O 3.49Å; R124-V126 PolarHBondContact NH1-O 2.96Å; R124-E144 IonicContact CZ-OE1 3.49Å; R124-E144 IonicContact CZ-OE2 3.56Å; R124-E144 IonicContact NH1-OE1 3.52Å; R124-E144 PolarHBondContact NH1-OE1 3.36Å; R124-E144 IonicContact NH1-OE2 2.84Å; R124-E144 IonicContact NH2-OE1 2.71Å; R124-E144 PolarHBondContact NH2-OE1 3.44Å; R124-E144 IonicContact NH2-OE2 2.74Å; R124-E144 PolarHBondContact NH2-OE2 3.18Å
125V98.8Very high98.6Very high81 Ų8156.8 Ų56.849%0.49130%0.297SS..  trans-120.4-14.5172.7-56.50000113V84 T85 Q87 E123V84-V125 PolarHBondContact O-N 2.96Å; T85-V125 VanDerWaalsContact C-CG2 3.49Å; Q87-V125 HydrophobicContact CB-CG2 4.15Å; E123-V125 PolarHBondContact O-N 2.88Å
126V98.8Very high98.5Very high0 Ų065.6 Ų65.60%033%0.331CS..SBendtrans-111.1117.1173.7-173.60000109Y82 V84 Q87 F90 R124 Q130Y82-V126 HydrophobicContact CD2-CG2 4.47Å; Y82-V126 HydrophobicContact CE2-CB 3.87Å; Y82-V126 HydrophobicContact CE2-CG1 3.64Å; Y82-V126 HydrophobicContact CE2-CG2 4.21Å; V84-V126 PolarHBondContact O-N 3.45Å; Q87-V126 HydrophobicContact CB-CG2 4.44Å; F90-V126 HydrophobicContact CB-CG1 4.43Å; F90-V126 HydrophobicContact CB-CG2 4Å; F90-V126 HydrophobicContact CD2-CG1 3.89Å; F90-V126 HydrophobicContact CE2-CG1 4.25Å; F90-V126 HydrophobicContact CG-CG1 4.03Å; F90-V126 HydrophobicContact CG-CG2 4.43Å; R124-V126 WeakPolarHBondContact CD-O 3.45Å; R124-V126 VanDerWaalsContact CG-O 3.24Å; R124-V126 WeakPolarHBondContact CG-O 3.49Å; R124-V126 PolarHBondContact NH1-O 2.96Å; V126-Q130 HydrophobicContact CG1-CB 3.97Å
127C98.4Very high98.5Very high46 Ų4671.7 Ų71.731%0.31136%0.359SS..  trans-76.5162.1177.274.50000111.8E129 Q130C127-E129 WeakPolarHBondContact CB-OE2 3.33Å; C127-E129 PolarHBondContact O-N 3.06Å; C127-E129 PolarHBondContact SG-OE2 3.18Å; C127-E129 VanDerWaalsContact SG-OE2 3.33Å; C127-Q130 PolarHBondContact O-N 3.03Å; C127-Q130 PolarHBondContact SG-OE1 2.58Å; C127-Q130 VanDerWaalsContact SG-OE1 3.38Å
128R98.5Very high98.3Very high135 Ų13570 Ų7051%0.50935%0.352SS..Hα-helixtrans-64.6-32.2-178.4-171.9179.7170.81651111.8Q130 G131 H132 F142 E144R128-Q130 VanDerWaalsContact C-N 3.34Å; R128-Q130 PolarHBondContact O-N 3.48Å; R128-G131 PolarHBondContact O-N 2.9Å; R128-H132 PolarHBondContact NE-NE2 3.02Å; R128-H132 PolarHBondContact O-N 3.44Å; R128-F142 HydrophobicContact CG-CE1 3.9Å; R128-F142 HydrophobicContact CG-CZ 4.3Å; R128-E144 WeakPolarHBondContact CA-OE1 3.5Å; R128-E144 WeakPolarHBondContact CB-OE1 3.49Å; R128-E144 HydrophobicContact CG-CG 4.33Å
129E98.7Very high98.2Very high128 Ų12874.7 Ų74.760%0.59838%0.376SS*.Hα-helixtrans-65.1-36.9179.8-64.166.7-14500111.5C127 H132 A133C127-E129 WeakPolarHBondContact CB-OE2 3.33Å; C127-E129 PolarHBondContact O-N 3.06Å; C127-E129 PolarHBondContact SG-OE2 3.18Å; C127-E129 VanDerWaalsContact SG-OE2 3.33Å; E129-H132 PolarHBondContact O-N 2.83Å; E129-A133 VanDerWaalsContact O-CB 3.28Å; E129-A133 WeakPolarHBondContact O-CB 3.32Å; E129-A133 PolarHBondContact O-N 3.29Å
130Q98.7Very high98.1Very high63 Ų6373.1 Ų73.129%0.29437%0.369SS..Hα-helixtrans-61.5-45.3173.6-74169.6-88.800111F90 V126 C127 R128 A133 L134F90-Q130 HydrophobicContact CE1-CB 4.41Å; F90-Q130 HydrophobicContact CE2-CB 4.48Å; F90-Q130 HydrophobicContact CZ-CB 3.97Å; V126-Q130 HydrophobicContact CG1-CB 3.97Å; C127-Q130 PolarHBondContact O-N 3.03Å; C127-Q130 PolarHBondContact SG-OE1 2.58Å; C127-Q130 VanDerWaalsContact SG-OE1 3.38Å; R128-Q130 VanDerWaalsContact C-N 3.34Å; R128-Q130 PolarHBondContact O-N 3.48Å; Q130-A133 PolarHBondContact O-N 3.28Å; Q130-L134 PolarHBondContact O-N 3.5Å
131G98.7Very high98.1Very high0 Ų072.8 Ų72.80%037%0.371CS..Hα-helixtrans-59.4-47.5175.900000112.9R128 L134 S135R128-G131 PolarHBondContact O-N 2.9Å; G131-L134 PolarHBondContact O-N 3.26Å; G131-S135 WeakPolarHBondContact O-CB 3.4Å; G131-S135 PolarHBondContact O-N 3.06Å
132H98.6Very high98.2Very high53 Ų5371 Ų7125%0.24535%0.351CS..Hα-helixtrans-64.1-38.9174.9-83.8-59.9000113.4R128 E129 S135 R136 F142R128-H132 PolarHBondContact NE-NE2 3.02Å; R128-H132 PolarHBondContact O-N 3.44Å; E129-H132 PolarHBondContact O-N 2.83Å; H132-S135 PolarHBondContact O-N 3.23Å; H132-S135 PolarHBondContact O-OG 3.21Å; H132-R136 VanDerWaalsContact O-CG 3.32Å; H132-R136 WeakPolarHBondContact O-CG 3.44Å; H132-R136 PolarHBondContact O-N 3.37Å; H132-R136 VanDerWaalsContact O-N 3.08Å; H132-F142 HydrophobicContact CB-CD1 4.5Å; H132-F142 AromaticContact CD2-CD1 3.89Å; H132-F142 AromaticContact CD2-CE1 3.77Å; H132-F142 AromaticContact CE1-CD1 3.49Å; H132-F142 VanDerWaalsContact CE1-CD1 3.49Å; H132-F142 WeakPolarHBondContact CE1-CD1 3.48Å; H132-F142 AromaticContact CG-CD1 3.7Å; H132-F142 AromaticContact CG-CE1 3.97Å; H132-F142 AromaticContact ND1-CD1 3.45Å; H132-F142 WeakPolarHBondContact ND1-CD1 3.27Å; H132-F142 AromaticContact NE2-CD1 3.76Å; H132-F142 AromaticContact NE2-CE1 3.79Å
133A98.8Very high98.2Very high53 Ų5364.3 Ų64.344%0.43832%0.315SS..Hα-helixtrans-63.3-4717800000110.7E129 Q130 S135 R136 Q137E129-A133 VanDerWaalsContact O-CB 3.28Å; E129-A133 WeakPolarHBondContact O-CB 3.32Å; E129-A133 PolarHBondContact O-N 3.29Å; Q130-A133 PolarHBondContact O-N 3.28Å; A133-S135 PolarHBondContact O-N 3.04Å; A133-R136 PolarHBondContact O-N 3.24Å; A133-Q137 WeakPolarHBondContact O-CB 3.46Å; A133-Q137 PolarHBondContact O-N 3.05Å
134L98.6Very high98.2Very high15 Ų1559.9 Ų59.98%0.07929%0.294CS..Hα-helixtrans-63.3-42.4177.2-175.463.6000111.6F90 L93 I113 Q130 G131 R136 Q137 L138F90-L134 HydrophobicContact CD2-CD2 4.36Å; F90-L134 HydrophobicContact CE1-CD2 4.33Å; F90-L134 HydrophobicContact CE2-CB 4.2Å; F90-L134 HydrophobicContact CE2-CD2 3.65Å; F90-L134 HydrophobicContact CZ-CB 3.83Å; F90-L134 HydrophobicContact CZ-CD2 3.66Å; F90-L134 HydrophobicContact CZ-CG 4.33Å; L93-L134 HydrophobicContact CB-CD2 4.12Å; L93-L134 HydrophobicContact CD1-CD2 3.91Å; I113-L134 HydrophobicContact CD1-CB 4.38Å; I113-L134 HydrophobicContact CD1-CD2 3.97Å; I113-L134 HydrophobicContact CD1-CG 3.86Å; Q130-L134 PolarHBondContact O-N 3.5Å; G131-L134 PolarHBondContact O-N 3.26Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.49Å; L134-Q137 WeakPolarHBondContact O-CB 3.28Å; L134-Q137 PolarHBondContact O-N 3.47Å; L134-L138 HydrophobicContact CD1-CD1 3.72Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CD2-CD1 4.42Å; L134-L138 HydrophobicContact CG-CD1 3.84Å; L134-L138 HydrophobicContact CG-CG 4.24Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 WeakPolarHBondContact O-CG 3.19Å; L134-L138 PolarHBondContact O-N 2.89Å
135S98.4Very high98.3Very high9 Ų956.3 Ų56.36%0.06328%0.281CS..Hα-helixtrans-65.1-36.1-179.895.50000112.7G131 H132 A133 L138 N139 C140 F142G131-S135 WeakPolarHBondContact O-CB 3.4Å; G131-S135 PolarHBondContact O-N 3.06Å; H132-S135 PolarHBondContact O-N 3.23Å; H132-S135 PolarHBondContact O-OG 3.21Å; A133-S135 PolarHBondContact O-N 3.04Å; S135-L138 CarbonylContact O-C 3.4Å; S135-N139 WeakPolarHBondContact O-CA 3.46Å; S135-N139 PolarHBondContact O-N 3.46Å; S135-C140 WeakPolarHBondContact CB-O 3.27Å; S135-C140 PolarHBondContact O-N 3.42Å; S135-C140 PolarHBondContact OG-O 3.26Å; S135-F142 WeakPolarHBondContact OG-CB 3.07Å
136R98.3Very high98.3Very high186 Ų18652.5 Ų52.570%0.70226%0.257SS*.Hα-helixtrans-66.7-45.1172.3-72175.3-173.2137.60.6111.4H132 A133 L134 L138 N139H132-R136 VanDerWaalsContact O-CG 3.32Å; H132-R136 WeakPolarHBondContact O-CG 3.44Å; H132-R136 PolarHBondContact O-N 3.37Å; H132-R136 VanDerWaalsContact O-N 3.08Å; A133-R136 PolarHBondContact O-N 3.24Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.49Å; R136-L138 VanDerWaalsContact C-N 3.27Å; R136-L138 PolarHBondContact O-N 3.29Å; R136-N139 PolarHBondContact O-N 3.03Å
137Q97.4Very high98.3Very high131 Ų13152.6 Ų52.661%0.61226%0.258SS*.Hα-helixtrans-58.2-42.2176.6178.5-174-35.500111.4A133 L134 N139A133-Q137 WeakPolarHBondContact O-CB 3.46Å; A133-Q137 PolarHBondContact O-N 3.05Å; L134-Q137 WeakPolarHBondContact O-CB 3.28Å; L134-Q137 PolarHBondContact O-N 3.47Å; Q137-N139 VanDerWaalsContact C-N 3.33Å
138L96.1Very high98.3Very high23 Ų2355.9 Ų55.912%0.1227%0.267CS..THydrogen-bonded Turntrans-90.76.3-178.6-57.7-174.1000113.4H97 I113 L134 S135 R136 C140H97-L138 HydrophobicContact CB-CD1 3.91Å; I113-L138 HydrophobicContact CD1-CD1 4.17Å; L134-L138 HydrophobicContact CD1-CD1 3.72Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CD2-CD1 4.42Å; L134-L138 HydrophobicContact CG-CD1 3.84Å; L134-L138 HydrophobicContact CG-CG 4.24Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 WeakPolarHBondContact O-CG 3.19Å; L134-L138 PolarHBondContact O-N 2.89Å; S135-L138 CarbonylContact O-C 3.4Å; R136-L138 VanDerWaalsContact C-N 3.27Å; R136-L138 PolarHBondContact O-N 3.29Å; L138-C140 VanDerWaalsContact C-N 3.35Å; L138-C140 PolarHBondContact O-N 2.97Å
139N95.6Very high98.2Very high122 Ų12252 Ų5265%0.65226%0.264SS*.THydrogen-bonded Turntrans49.148.5-179.9-171.543.1000114.3S135 R136 Q137S135-N139 WeakPolarHBondContact O-CA 3.46Å; S135-N139 PolarHBondContact O-N 3.46Å; R136-N139 PolarHBondContact O-N 3.03Å; Q137-N139 VanDerWaalsContact C-N 3.33Å
140C97.4Very high98.2Very high21 Ų2152 Ų5214%0.14226%0.262CS..  trans-136.3167.5-179.159.20000112.8L111 S135 L138L111-C140 HydrophobicContact CB-CB 4.21Å; L111-C140 HydrophobicContact CD2-CB 3.52Å; L111-C140 VanDerWaalsContact CD2-SG 3.54Å; L111-C140 HydrophobicContact CG-CB 4.47Å; S135-C140 WeakPolarHBondContact CB-O 3.27Å; S135-C140 PolarHBondContact O-N 3.42Å; S135-C140 PolarHBondContact OG-O 3.26Å; L138-C140 VanDerWaalsContact C-N 3.35Å; L138-C140 PolarHBondContact O-N 2.97Å
141S98.4Very high98.2Very high38 Ų3852.3 Ų52.327%0.26627%0.265SS..EExtended strand (participates in β ladder)trans-66.6154.2174.3-70.30000111.4L111 I112 I113 D159 Q163L111-S141 PolarHBondContact O-N 2.83Å; I112-S141 WeakPolarHBondContact CA-O 3.46Å; I113-S141 PolarHBondContact N-O 3.08Å; S141-D159 WeakPolarHBondContact CB-OD2 3.48Å; S141-D159 PolarHBondContact OG-OD2 2.85Å; S141-Q163 PolarHBondContact OG-NE2 3.08Å; S141-Q163 VanDerWaalsContact OG-NE2 3.14Å
142F98.8Very high98.2Very high25 Ų2555 Ų5511%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-139.6143.4170.1164.6-97.5000112Y82 I113 R128 H132 S135 E144Y82-F142 HydrophobicContact CE1-CE2 4.07Å; I113-F142 HydrophobicContact CB-CD2 4.1Å; I113-F142 HydrophobicContact CG2-CD2 3.86Å; I113-F142 HydrophobicContact CG2-CE2 4.44Å; I113-F142 WeakPolarHBondContact O-CA 3.22Å; R128-F142 HydrophobicContact CG-CE1 3.9Å; R128-F142 HydrophobicContact CG-CZ 4.3Å; H132-F142 HydrophobicContact CB-CD1 4.5Å; H132-F142 AromaticContact CD2-CD1 3.89Å; H132-F142 AromaticContact CD2-CE1 3.77Å; H132-F142 AromaticContact CE1-CD1 3.49Å; H132-F142 VanDerWaalsContact CE1-CD1 3.49Å; H132-F142 WeakPolarHBondContact CE1-CD1 3.48Å; H132-F142 AromaticContact CG-CD1 3.7Å; H132-F142 AromaticContact CG-CE1 3.97Å; H132-F142 AromaticContact ND1-CD1 3.45Å; H132-F142 WeakPolarHBondContact ND1-CD1 3.27Å; H132-F142 AromaticContact NE2-CD1 3.76Å; H132-F142 AromaticContact NE2-CE1 3.79Å; S135-F142 WeakPolarHBondContact OG-CB 3.07Å; F142-E144 HydrophobicContact CE1-CG 4.15Å; F142-E144 HydrophobicContact CE2-CG 4.38Å; F142-E144 HydrophobicContact CZ-CG 3.57Å
143M98.7Very high98.2Very high32 Ų3252.7 Ų52.716%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-153.5145.1173-168.4167.656.300111.5I112 I113 V114 G115 T145 N152 E155 I156I112-M143 HydrophobicContact CD1-CB 4.19Å; I112-M143 HydrophobicContact CD1-CE 4.22Å; I113-M143 PolarHBondContact O-N 3.37Å; V114-M143 WeakPolarHBondContact CA-O 3.45Å; G115-M143 PolarHBondContact N-O 3.49Å; M143-T145 HydrophobicContact CE-CG2 3.99Å; M143-T145 HydrophobicContact CG-CG2 4.49Å; M143-N152 HydrophobicContact CE-CB 3.74Å; M143-N152 WeakPolarHBondContact CE-O 3.22Å; M143-N152 HydrophobicContact CG-CB 3.91Å; M143-N152 HydrophobicContact SD-CB 3.51Å; M143-N152 VanDerWaalsContact SD-CB 3.51Å; M143-N152 VanDerWaalsContact SD-CG 3.55Å; M143-E155 HydrophobicContact CE-CB 3.67Å; M143-E155 HydrophobicContact SD-CB 3.75Å; M143-I156 HydrophobicContact CE-CB 4.15Å; M143-I156 HydrophobicContact CE-CG1 3.38Å
144E98.9Very high98.2Very high22 Ų2253.3 Ų53.310%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-90.5142.6167.3-65-164.116200110.8G115 C118 R124 R128 F142 N152G115-E144 CarbonylContact O-C 3.57Å; G115-E144 VanDerWaalsContact O-CA 3.22Å; G115-E144 WeakPolarHBondContact O-CA 3.46Å; C118-E144 HydrophobicContact CB-CB 4.08Å; R124-E144 IonicContact CZ-OE1 3.49Å; R124-E144 IonicContact CZ-OE2 3.56Å; R124-E144 IonicContact NH1-OE1 3.52Å; R124-E144 PolarHBondContact NH1-OE1 3.36Å; R124-E144 IonicContact NH1-OE2 2.84Å; R124-E144 IonicContact NH2-OE1 2.71Å; R124-E144 PolarHBondContact NH2-OE1 3.44Å; R124-E144 IonicContact NH2-OE2 2.74Å; R124-E144 PolarHBondContact NH2-OE2 3.18Å; R128-E144 WeakPolarHBondContact CA-OE1 3.5Å; R128-E144 WeakPolarHBondContact CB-OE1 3.49Å; R128-E144 HydrophobicContact CG-CG 4.33Å; F142-E144 HydrophobicContact CE1-CG 4.15Å; F142-E144 HydrophobicContact CE2-CG 4.38Å; F142-E144 HydrophobicContact CZ-CG 3.57Å; E144-N152 WeakPolarHBondContact O-CB 3.31Å; E144-N152 PolarHBondContact O-ND2 3.1Å
145T98.9Very high98.2Very high0 Ų056.8 Ų56.80%028%0.281CS..EExtended strand (participates in β ladder)trans-137.1161.7-17662.10000111.9V114 G115 N116 K117 C118 M143 I151 N152 I156V114-T145 HydrophobicContact CG1-CG2 3.88Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.33Å; G115-T145 PolarHBondContact O-N 2.95Å; N116-T145 CarbonylContact C-O 3.51Å; N116-T145 VanDerWaalsContact CA-O 3.31Å; N116-T145 WeakPolarHBondContact CA-O 3.33Å; N116-T145 PolarHBondContact OD1-O 2.97Å; N116-T145 PolarHBondContact OD1-OG1 3.11Å; K117-T145 PolarHBondContact N-O 3.45Å; C118-T145 PolarHBondContact N-O 3.37Å; C118-T145 PolarHBondContact SG-O 3.46Å; M143-T145 HydrophobicContact CE-CG2 3.99Å; M143-T145 HydrophobicContact CG-CG2 4.49Å; T145-I151 WeakPolarHBondContact CA-O 3.33Å; T145-I151 WeakPolarHBondContact CB-O 3.41Å; T145-N152 HydrophobicContact CG2-CB 3.62Å; T145-I156 HydrophobicContact CG2-CD1 3.51Å; T145-I156 HydrophobicContact CG2-CG1 3.71Å
146S98.8Very high98.2Very high0 Ų056.4 Ų56.40%028%0.278CS..BIsolated β-bridgetrans-137112.6165.3174.90000108.5D119 K148 A149 K150 I151D119-S146 WeakPolarHBondContact OD1-CB 3.49Å; D119-S146 PolarHBondContact OD1-OG 3.29Å; S146-K148 PolarHBondContact O-N 2.94Å; S146-K148 PolarHBondContact OG-N 3.37Å; S146-A149 WeakPolarHBondContact OG-CB 3.07Å; S146-A149 PolarHBondContact OG-N 2.85Å; S146-K150 CarbonylContact O-C 3.56Å; S146-K150 WeakPolarHBondContact O-CA 3.34Å; S146-K150 PolarHBondContact O-N 2.79Å; S146-I151 PolarHBondContact N-O 3.34Å; S146-I151 PolarHBondContact O-N 3.03Å
147A98.7Very high98.2Very high2 Ų247.7 Ų47.72%0.01725%0.245CC..THydrogen-bonded Turntrans-57.5-4016800000111A18 L19 Q22 F28 N116A18-A147 HydrophobicContact CB-CB 3.69Å; L19-A147 HydrophobicContact CD2-CB 3.92Å; L19-A147 HydrophobicContact CG-CB 4.13Å; Q22-A147 WeakPolarHBondContact CG-O 3.04Å; Q22-A147 PolarHBondContact NE2-O 3.35Å; F28-A147 HydrophobicContact CD2-CB 4.04Å; F28-A147 HydrophobicContact CE2-CB 4.13Å; N116-A147 PolarHBondContact OD1-N 2.8Å
148K98.4Very high98.3Very high116 Ų11643.9 Ų43.950%0.50423%0.227SC..THydrogen-bonded Turntrans-67.3-51.1-177.8-172.8178.3-177.5179.70112.2F28 D119 S146 K150F28-K148 HydrophobicContact CD1-CB 4.34Å; F28-K148 HydrophobicContact CD1-CG 4.08Å; F28-K148 HydrophobicContact CD2-CB 4.31Å; F28-K148 HydrophobicContact CE1-CB 4.06Å; F28-K148 HydrophobicContact CE1-CD 4.23Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4.04Å; F28-K148 HydrophobicContact CG-CB 4.46Å; F28-K148 HydrophobicContact CZ-CB 3.91Å; F28-K148 HydrophobicContact CZ-CG 4.17Å; D119-K148 WeakPolarHBondContact OD2-CD 3.37Å; S146-K148 PolarHBondContact O-N 2.94Å; S146-K148 PolarHBondContact OG-N 3.37Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 2.8Å
149A98.3Very high98.4Very high53 Ų5344.9 Ų44.944%0.43823%0.232SC..THydrogen-bonded Turntrans-87.45.8-177.600000113.8D119 S146 I151D119-A149 HydrophobicContact CB-CB 4.17Å; S146-A149 WeakPolarHBondContact OG-CB 3.07Å; S146-A149 PolarHBondContact OG-N 2.85Å; A149-I151 HydrophobicContact CB-CD1 3.87Å; A149-I151 HydrophobicContact CB-CG1 3.97Å; A149-I151 PolarHBondContact O-N 3.33Å
150K98.1Very high98.5Very high129 Ų12939.1 Ų39.156%0.56120%0.201SC*.THydrogen-bonded Turntrans57.129.8-177.5-64.4-177.5175.4-169.10113.9Q22 G26 S146 K148Q22-K150 VanDerWaalsContact CD-CE 3.49Å; Q22-K150 HydrophobicContact CG-CG 4.17Å; Q22-K150 VanDerWaalsContact OE1-CE 3.28Å; G26-K150 PolarHBondContact O-NZ 3.3Å; S146-K150 CarbonylContact O-C 3.56Å; S146-K150 WeakPolarHBondContact O-CA 3.34Å; S146-K150 PolarHBondContact O-N 2.79Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 2.8Å
151I98.8Very high98.6Very high68 Ų6838.1 Ų38.135%0.34920%0.195SC..BIsolated β-bridgetrans-83.9123179.8-61.8169.9000108.9T145 S146 A149 V153T145-I151 WeakPolarHBondContact CA-O 3.33Å; T145-I151 WeakPolarHBondContact CB-O 3.41Å; S146-I151 PolarHBondContact N-O 3.34Å; S146-I151 PolarHBondContact O-N 3.03Å; A149-I151 HydrophobicContact CB-CD1 3.87Å; A149-I151 HydrophobicContact CB-CG1 3.97Å; A149-I151 PolarHBondContact O-N 3.33Å; I151-V153 PolarHBondContact O-N 3.3Å; I151-V153 VanDerWaalsContact O-N 3.1Å
152N98.7Very high98.5Very high56 Ų5641.1 Ų41.130%0.29920%0.2SC..SBendtrans60.218170.8-69.4-24.1000115.5M143 E144 T145 E155 I156M143-N152 HydrophobicContact CE-CB 3.74Å; M143-N152 WeakPolarHBondContact CE-O 3.22Å; M143-N152 HydrophobicContact CG-CB 3.91Å; M143-N152 HydrophobicContact SD-CB 3.51Å; M143-N152 VanDerWaalsContact SD-CB 3.51Å; M143-N152 VanDerWaalsContact SD-CG 3.55Å; E144-N152 WeakPolarHBondContact O-CB 3.31Å; E144-N152 PolarHBondContact O-ND2 3.1Å; T145-N152 HydrophobicContact CG2-CB 3.62Å; N152-E155 WeakPolarHBondContact CA-OE2 3.43Å; N152-E155 HydrophobicContact CB-CB 4.5Å; N152-E155 PolarHBondContact O-N 3.02Å; N152-I156 WeakPolarHBondContact O-CG1 3.46Å; N152-I156 PolarHBondContact O-N 2.76Å
153V98.7Very high98.4Very high6 Ų641.2 Ų41.24%0.03620%0.201CC..Hα-helixtrans-67.1-44.2-173.4175.70000111.8L19 Q22 F23 I151 E155 F157L19-V153 HydrophobicContact CD2-CG2 4.04Å; Q22-V153 HydrophobicContact CB-CG1 4.14Å; Q22-V153 HydrophobicContact CG-CB 4.49Å; Q22-V153 HydrophobicContact CG-CG1 4.01Å; Q22-V153 HydrophobicContact CG-CG2 4.04Å; F23-V153 HydrophobicContact CB-CG1 3.8Å; I151-V153 PolarHBondContact O-N 3.3Å; I151-V153 VanDerWaalsContact O-N 3.1Å; V153-E155 PolarHBondContact N-OE2 3.04Å; V153-F157 WeakPolarHBondContact O-CD2 3.41Å; V153-F157 WeakPolarHBondContact O-CE2 3.26Å
154N98.4Very high98.3Very high66 Ų6639.9 Ų39.935%0.35319%0.194SC..Hα-helixtrans-72.9-35.9-179.8-68-40.5000111.3F23 I156 F157 F158F23-N154 HydrophobicContact CD2-CB 4.48Å; F23-N154 WeakPolarHBondContact CD2-OD1 3.42Å; F23-N154 HydrophobicContact CE2-CB 4.37Å; F23-N154 WeakPolarHBondContact CE2-OD1 3.49Å; N154-I156 VanDerWaalsContact C-N 3.26Å; N154-I156 PolarHBondContact O-N 3.41Å; N154-F157 PolarHBondContact O-N 2.83Å; N154-F158 HydrophobicContact CB-CD2 4.48Å; N154-F158 HydrophobicContact CB-CE1 4.46Å; N154-F158 HydrophobicContact CB-CE2 4.1Å; N154-F158 HydrophobicContact CB-CZ 4.09Å; N154-F158 WeakPolarHBondContact O-CD1 3.46Å; N154-F158 WeakPolarHBondContact O-CG 3.21Å; N154-F158 PolarHBondContact O-N 3.24Å
155E98.7Very high98.1Very high88 Ų8840.6 Ų40.641%0.41120%0.199SC..Hα-helixtrans-60.5-34.9-173.1-68.773.9-17100111.4M143 N152 V153 F158 D159M143-E155 HydrophobicContact CE-CB 3.67Å; M143-E155 HydrophobicContact SD-CB 3.75Å; N152-E155 WeakPolarHBondContact CA-OE2 3.43Å; N152-E155 HydrophobicContact CB-CB 4.5Å; N152-E155 PolarHBondContact O-N 3.02Å; V153-E155 PolarHBondContact N-OE2 3.04Å; E155-F158 PolarHBondContact O-N 3.03Å; E155-D159 VanDerWaalsContact O-CB 3.31Å; E155-D159 WeakPolarHBondContact O-CB 3.47Å; E155-D159 PolarHBondContact O-N 2.98Å
156I98.5Very high97.8Very high1 Ų149 Ų491%0.00524%0.235CC..Hα-helixtrans-57.2-54.5176.2-59.7165.9000110L19 V79 I112 V114 M143 T145 N152 N154 F158 D159 L160L19-I156 HydrophobicContact CD1-CD1 4.05Å; L19-I156 HydrophobicContact CD2-CD1 4.14Å; V79-I156 HydrophobicContact CB-CG2 4.49Å; V79-I156 HydrophobicContact CG1-CG2 4.15Å; V79-I156 HydrophobicContact CG2-CG2 3.5Å; I112-I156 HydrophobicContact CG2-CG2 3.74Å; V114-I156 HydrophobicContact CG1-CD1 3.98Å; V114-I156 HydrophobicContact CG2-CD1 3.87Å; V114-I156 HydrophobicContact CG2-CG1 3.85Å; V114-I156 HydrophobicContact CG2-CG2 3.93Å; M143-I156 HydrophobicContact CE-CB 4.15Å; M143-I156 HydrophobicContact CE-CG1 3.38Å; T145-I156 HydrophobicContact CG2-CD1 3.51Å; T145-I156 HydrophobicContact CG2-CG1 3.71Å; N152-I156 WeakPolarHBondContact O-CG1 3.46Å; N152-I156 PolarHBondContact O-N 2.76Å; N154-I156 VanDerWaalsContact C-N 3.26Å; N154-I156 PolarHBondContact O-N 3.41Å; I156-F158 VanDerWaalsContact C-N 3.34Å; I156-D159 PolarHBondContact O-N 3.16Å; I156-L160 PolarHBondContact O-N 2.91Å
157F98.6Very high97.3Very high2 Ų253 Ų531%0.00925%0.254CS..Hα-helixtrans-73-33.1-173-58.9-78000111.1L6 V8 F23 L53 I55 V153 N154 V161L6-F157 HydrophobicContact CD1-CB 4.38Å; L6-F157 HydrophobicContact CD1-CD1 3.84Å; V8-F157 HydrophobicContact CG2-CE1 4.42Å; F23-F157 HydrophobicContact CB-CD2 3.89Å; F23-F157 HydrophobicContact CB-CE2 3.46Å; F23-F157 VanDerWaalsContact CB-CE2 3.46Å; F23-F157 HydrophobicContact CB-CZ 4.2Å; F23-F157 HydrophobicContact CD1-CD1 4.44Å; F23-F157 AromaticContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CD2 3.68Å; F23-F157 AromaticContact CD1-CE2 3.86Å; F23-F157 HydrophobicContact CD1-CE2 3.86Å; F23-F157 AromaticContact CD1-CG 3.99Å; F23-F157 HydrophobicContact CD1-CG 3.99Å; F23-F157 HydrophobicContact CD1-CZ 4.3Å; F23-F157 AromaticContact CD2-CD2 3.47Å; F23-F157 HydrophobicContact CD2-CD2 3.47Å; F23-F157 VanDerWaalsContact CD2-CD2 3.47Å; F23-F157 AromaticContact CD2-CE2 3.99Å; F23-F157 HydrophobicContact CD2-CE2 3.99Å; F23-F157 HydrophobicContact CD2-CG 4.26Å; F23-F157 HydrophobicContact CE1-CB 4.13Å; F23-F157 HydrophobicContact CE1-CD1 4.46Å; F23-F157 HydrophobicContact CE1-CD2 4.01Å; F23-F157 AromaticContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE2-CB 4.05Å; F23-F157 AromaticContact CE2-CD2 3.82Å; F23-F157 HydrophobicContact CE2-CD2 3.82Å; F23-F157 HydrophobicContact CE2-CG 4.2Å; F23-F157 AromaticContact CG-CD2 3.38Å; F23-F157 HydrophobicContact CG-CD2 3.38Å; F23-F157 AromaticContact CG-CE2 3.49Å; F23-F157 HydrophobicContact CG-CE2 3.49Å; F23-F157 VanDerWaalsContact CG-CE2 3.49Å; F23-F157 HydrophobicContact CG-CG 4.15Å; F23-F157 HydrophobicContact CG-CZ 4.31Å; F23-F157 HydrophobicContact CZ-CB 3.79Å; F23-F157 HydrophobicContact CZ-CD2 4.05Å; F23-F157 HydrophobicContact CZ-CG 4.02Å; L53-F157 HydrophobicContact CD2-CB 3.91Å; I55-F157 HydrophobicContact CD1-CD1 3.69Å; I55-F157 HydrophobicContact CD1-CE1 3.56Å; I55-F157 HydrophobicContact CD1-CG 4.39Å; I55-F157 HydrophobicContact CD1-CZ 4.17Å; I55-F157 HydrophobicContact CG1-CD1 4.21Å; I55-F157 HydrophobicContact CG1-CE1 4.09Å; I55-F157 HydrophobicContact CG2-CE1 4.04Å; V153-F157 WeakPolarHBondContact O-CD2 3.41Å; V153-F157 WeakPolarHBondContact O-CE2 3.26Å; N154-F157 PolarHBondContact O-N 2.83Å; F157-V161 WeakPolarHBondContact O-CG2 3.43Å; F157-V161 PolarHBondContact O-N 3.41Å; F157-V161 VanDerWaalsContact O-N 3.12Å
158F98.4Very high96.3Very high52 Ų5256.5 Ų56.523%0.22827%0.271CS..Hα-helixtrans-70-39.5177-66.12.5000111.9F23 I44 I46 N154 E155 I156 V161 R162F23-F158 AromaticContact CE2-CE1 3.99Å; F23-F158 HydrophobicContact CE2-CE1 3.99Å; F23-F158 HydrophobicContact CZ-CE1 4.23Å; I44-F158 HydrophobicContact CB-CE1 4.38Å; I44-F158 HydrophobicContact CD1-CD1 3.84Å; I44-F158 HydrophobicContact CD1-CE1 3.65Å; I44-F158 HydrophobicContact CG2-CE1 4.44Å; I46-F158 HydrophobicContact CD1-CB 4.03Å; I46-F158 HydrophobicContact CD1-CD1 3.6Å; I46-F158 HydrophobicContact CD1-CE1 4.31Å; I46-F158 HydrophobicContact CD1-CG 3.94Å; I46-F158 HydrophobicContact CG1-CB 4.49Å; I46-F158 HydrophobicContact CG1-CD1 3.89Å; I46-F158 HydrophobicContact CG1-CE1 4.25Å; I46-F158 HydrophobicContact CG1-CG 4.08Å; N154-F158 HydrophobicContact CB-CD2 4.48Å; N154-F158 HydrophobicContact CB-CE1 4.46Å; N154-F158 HydrophobicContact CB-CE2 4.1Å; N154-F158 HydrophobicContact CB-CZ 4.09Å; N154-F158 WeakPolarHBondContact O-CD1 3.46Å; N154-F158 WeakPolarHBondContact O-CG 3.21Å; N154-F158 PolarHBondContact O-N 3.24Å; E155-F158 PolarHBondContact O-N 3.03Å; I156-F158 VanDerWaalsContact C-N 3.34Å; F158-V161 PolarHBondContact O-N 2.92Å; F158-R162 WeakPolarHBondContact O-CG 3.34Å; F158-R162 PolarHBondContact O-N 3.38Å; F158-R162 VanDerWaalsContact O-N 3.08Å
159D98.6Very high94.6Very high44 Ų4456.8 Ų56.824%0.23529%0.285CS..Hα-helixtrans-59.9-48.5173.9-173.558.7000111I112 S141 E155 I156 V161 R162 Q163I112-D159 HydrophobicContact CD1-CB 4.4Å; S141-D159 WeakPolarHBondContact CB-OD2 3.48Å; S141-D159 PolarHBondContact OG-OD2 2.85Å; E155-D159 VanDerWaalsContact O-CB 3.31Å; E155-D159 WeakPolarHBondContact O-CB 3.47Å; E155-D159 PolarHBondContact O-N 2.98Å; I156-D159 PolarHBondContact O-N 3.16Å; D159-V161 PolarHBondContact O-N 3.03Å; D159-R162 WeakPolarHBondContact O-CB 3.38Å; D159-R162 PolarHBondContact O-N 3.29Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-Q163 WeakPolarHBondContact O-CG 3.28Å; D159-Q163 PolarHBondContact O-N 3.35Å; D159-Q163 PolarHBondContact OD2-NE2 2.91Å
160L98.5Very high92.6Very high0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-59.2-43.6178.3-77178.4000113.1L6 V79 P110 I112 I156 R162 Q163 I164L6-L160 HydrophobicContact CD1-CB 4.38Å; L6-L160 HydrophobicContact CD1-CD1 4.36Å; L6-L160 HydrophobicContact CD2-CB 4.04Å; L6-L160 HydrophobicContact CD2-CD1 4.22Å; V79-L160 HydrophobicContact CG2-CD1 3.49Å; V79-L160 VanDerWaalsContact CG2-CD1 3.49Å; P110-L160 HydrophobicContact CB-CD2 4.49Å; I112-L160 HydrophobicContact CB-CD2 4.41Å; I112-L160 HydrophobicContact CG2-CD1 3.96Å; I112-L160 HydrophobicContact CG2-CD2 3.95Å; I112-L160 HydrophobicContact CG2-CG 3.8Å; I156-L160 PolarHBondContact O-N 2.91Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 3.33Å; L160-Q163 PolarHBondContact O-N 2.8Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 3.09Å
161V97.7Very high90.6Very high1 Ų158.8 Ų58.81%0.00630%0.296CS..Hα-helixtrans-61.7-41176.2171.10000111.1Y4 I46 L53 F157 F158 D159 I164 N165Y4-V161 HydrophobicContact CD1-CG1 4.49Å; Y4-V161 HydrophobicContact CD2-CG1 4.09Å; Y4-V161 HydrophobicContact CD2-CG2 4.07Å; Y4-V161 HydrophobicContact CE1-CG1 4.12Å; Y4-V161 HydrophobicContact CE2-CG1 3.66Å; Y4-V161 HydrophobicContact CE2-CG2 4.48Å; Y4-V161 HydrophobicContact CG-CG1 4.48Å; Y4-V161 HydrophobicContact CG-CG2 4.14Å; I46-V161 HydrophobicContact CD1-CB 3.51Å; I46-V161 HydrophobicContact CD1-CG1 3.61Å; I46-V161 HydrophobicContact CD1-CG2 3.8Å; L53-V161 HydrophobicContact CD1-CG2 3.89Å; L53-V161 HydrophobicContact CD2-CG2 4.16Å; L53-V161 HydrophobicContact CG-CG2 4.17Å; F157-V161 WeakPolarHBondContact O-CG2 3.43Å; F157-V161 PolarHBondContact O-N 3.41Å; F157-V161 VanDerWaalsContact O-N 3.12Å; F158-V161 PolarHBondContact O-N 2.92Å; D159-V161 PolarHBondContact O-N 3.03Å; V161-I164 PolarHBondContact O-N 3.49Å; V161-N165 WeakPolarHBondContact CG1-ND2 3.23Å; V161-N165 WeakPolarHBondContact O-CB 3.38Å; V161-N165 PolarHBondContact O-N 2.54Å; V161-N165 PolarHBondContact O-ND2 2.71Å
162R97.1Very high88.4Confident101 Ų10164.4 Ų64.438%0.38132%0.318SS..Hα-helixtrans-65.9-38.7175.5-72.6177177.7137.9-0.8112.1I46 D47 F158 D159 L160 N165 K166I46-R162 HydrophobicContact CG2-CG 4.12Å; D47-R162 IonicContact OD1-CZ 3.44Å; D47-R162 IonicContact OD1-NE 3.53Å; D47-R162 PolarHBondContact OD1-NE 3.38Å; D47-R162 IonicContact OD1-NH2 3.47Å; D47-R162 PolarHBondContact OD1-NH2 3.49Å; D47-R162 IonicContact OD2-NE 3.2Å; D47-R162 PolarHBondContact OD2-NE 2.76Å; F158-R162 WeakPolarHBondContact O-CG 3.34Å; F158-R162 PolarHBondContact O-N 3.38Å; F158-R162 VanDerWaalsContact O-N 3.08Å; D159-R162 WeakPolarHBondContact O-CB 3.38Å; D159-R162 PolarHBondContact O-N 3.29Å; D159-R162 VanDerWaalsContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 3.33Å; R162-N165 PolarHBondContact O-N 2.89Å; R162-K166 WeakPolarHBondContact O-CG 3.45Å; R162-K166 PolarHBondContact O-N 3.42Å; R162-K166 VanDerWaalsContact O-N 3.12Å
163Q97.1Very high86.2Confident26 Ų2670.3 Ų70.312%0.12134%0.344CS..Hα-helixtrans-62.3-47.6174.6-69.8-172.446.100111.5P110 L111 S141 D159 L160 N165 K166 Q167P110-Q163 VanDerWaalsContact CA-OE1 3.31Å; P110-Q163 HydrophobicContact CB-CB 3.81Å; P110-Q163 HydrophobicContact CG-CB 4.48Å; L111-Q163 PolarHBondContact O-NE2 3.32Å; L111-Q163 PolarHBondContact O-OE1 3.46Å; S141-Q163 PolarHBondContact OG-NE2 3.08Å; S141-Q163 VanDerWaalsContact OG-NE2 3.14Å; D159-Q163 WeakPolarHBondContact O-CG 3.28Å; D159-Q163 PolarHBondContact O-N 3.35Å; D159-Q163 PolarHBondContact OD2-NE2 2.91Å; L160-Q163 PolarHBondContact O-N 2.8Å; Q163-N165 VanDerWaalsContact C-N 3.32Å; Q163-N165 PolarHBondContact O-N 3.3Å; Q163-K166 WeakPolarHBondContact O-CB 3.24Å; Q163-K166 PolarHBondContact O-N 3.33Å; Q163-K166 VanDerWaalsContact O-N 3.15Å; Q163-Q167 PolarHBondContact O-N 2.99Å
164I96.2Very high83.7Confident5 Ų579.7 Ų79.73%0.02638%0.384CS..Hα-helixtrans-59-45.4177-65162000110.5Y4 L6 Q76 P110 L160 V161 K166 Q167 M168Y4-I164 HydrophobicContact CD1-CB 4.18Å; Y4-I164 HydrophobicContact CD1-CD1 3.92Å; Y4-I164 HydrophobicContact CD1-CG2 3.82Å; Y4-I164 HydrophobicContact CE1-CB 4.24Å; Y4-I164 HydrophobicContact CE1-CG2 3.85Å; L6-I164 HydrophobicContact CD2-CD1 3.64Å; Q76-I164 HydrophobicContact CB-CD1 3.82Å; Q76-I164 HydrophobicContact CB-CG1 4.28Å; P110-I164 HydrophobicContact CB-CG1 3.69Å; P110-I164 HydrophobicContact CG-CB 4.43Å; P110-I164 HydrophobicContact CG-CG1 3.71Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 3.09Å; V161-I164 PolarHBondContact O-N 3.49Å; I164-K166 VanDerWaalsContact C-N 3.25Å; I164-K166 PolarHBondContact O-N 2.75Å; I164-Q167 PolarHBondContact O-N 2.98Å; I164-M168 HydrophobicContact CG2-CG 4.31Å; I164-M168 HydrophobicContact CG2-SD 3.71Å; I164-M168 PolarHBondContact O-N 2.99Å
165N94.4Very high81.4Confident37 Ų3782.6 Ų82.620%0.19840%0.404CS..Hα-helixtrans-63.2-27.3178.8-82.5-48.9000114.4Y4 V161 R162 Q163 Q167 Q170Y4-N165 VanDerWaalsContact OH-CG 3.27Å; Y4-N165 PolarHBondContact OH-ND2 2.95Å; Y4-N165 PolarHBondContact OH-OD1 2.79Å; V161-N165 WeakPolarHBondContact CG1-ND2 3.23Å; V161-N165 WeakPolarHBondContact O-CB 3.38Å; V161-N165 PolarHBondContact O-N 2.54Å; V161-N165 PolarHBondContact O-ND2 2.71Å; R162-N165 PolarHBondContact O-N 2.89Å; Q163-N165 VanDerWaalsContact C-N 3.32Å; Q163-N165 PolarHBondContact O-N 3.3Å; N165-Q167 VanDerWaalsContact C-N 3.32Å; N165-Q170 PolarHBondContact OD1-NE2 2.86Å
166K92.9Very high79Confident176 Ų17683.2 Ų83.277%0.76542%0.418SS*.Hα-helixtrans-72.5-28.2174.6-73.3171-176.2177.50112.1R162 Q163 I164R162-K166 WeakPolarHBondContact O-CG 3.45Å; R162-K166 PolarHBondContact O-N 3.42Å; R162-K166 VanDerWaalsContact O-N 3.12Å; Q163-K166 WeakPolarHBondContact O-CB 3.24Å; Q163-K166 PolarHBondContact O-N 3.33Å; Q163-K166 VanDerWaalsContact O-N 3.15Å; I164-K166 VanDerWaalsContact C-N 3.25Å; I164-K166 PolarHBondContact O-N 2.75Å
167Q88Confident76.6Confident84 Ų8492.1 Ų92.139%0.39346%0.457SS..Hα-helixtrans-86.6-26.4178.9-62.6-172.8-800112.8N108 P110 Q163 I164 N165 P169N108-Q167 PolarHBondContact O-NE2 3.25Å; P110-Q167 VanDerWaalsContact CD-OE1 3.27Å; Q163-Q167 PolarHBondContact O-N 2.99Å; I164-Q167 PolarHBondContact O-N 2.98Å; N165-Q167 VanDerWaalsContact C-N 3.32Å; Q167-P169 VanDerWaalsContact O-CD 3.32Å; Q167-P169 WeakPolarHBondContact O-CD 3.48Å
168M78.8Confident74.4Confident75 Ų75103.3 Ų103.337%0.36950%0.499SS..SBendtrans-89.9112175.9-64.3-179.372.600109.8I164 Q170I164-M168 HydrophobicContact CG2-CG 4.31Å; I164-M168 HydrophobicContact CG2-SD 3.71Å; I164-M168 PolarHBondContact O-N 2.99Å; M168-Q170 PolarHBondContact O-N 3.38Å
169P62Low72Confident123 Ų123109.6 Ų109.680%0.79953%0.526SS*.  trans-59.5111172.117.4-22.8000108.6Q167 V171Q167-P169 VanDerWaalsContact O-CD 3.32Å; Q167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-V171 PolarHBondContact O-N 3.11Å
170Q57.1Low69.5Low91 Ų91112.7 Ų112.743%0.42555%0.55SS.*  trans-51.1116.3174.5-75-83.9-26.400108.6R49 N165 M168 K172R49-Q170 VanDerWaalsContact NH1-NE2 3.12Å; N165-Q170 PolarHBondContact OD1-NE2 2.86Å; M168-Q170 PolarHBondContact O-N 3.38Å; Q170-K172 PolarHBondContact O-N 2.95Å
171V55.8Low67.3Low132 Ų132119.2 Ų119.280%0.859%0.585SS**  trans-62.298.9161.4-178.90000104.7P169 Q173P169-V171 PolarHBondContact O-N 3.11Å; V171-Q173 PolarHBondContact O-N 3Å
172K52.1Low65.5Low186 Ų186126.3 Ų126.381%0.80962%0.621SS**  trans-51.2110.3177-72.5-176179.3178.80106.4Q170 K174Q170-K172 PolarHBondContact O-N 2.95Å; K172-K174 PolarHBondContact O-N 3.15Å
173Q51.9Low63.4Low181 Ų181131.9 Ų131.985%0.84666%0.657SS**  trans-55.7112.2169-72-175.52.100105.1V171 T175V171-Q173 PolarHBondContact O-N 3Å; Q173-T175 PolarHBondContact O-N 2.74Å
174K47.2Very low61.7Low203 Ų203137.2 Ų137.288%0.88368%0.684SS**  trans-53.2110.4175-76.2-179.4176.61770105.3K172 S176K172-K174 PolarHBondContact O-N 3.15Å; K174-S176 VanDerWaalsContact C-N 3.27Å; K174-S176 PolarHBondContact O-N 3.3Å
175T49.4Very low59.9Low126 Ų126144.2 Ų144.277%0.77372%0.718SS**  trans-60.2102169.339.20000105.1Q173 K177Q173-T175 PolarHBondContact O-N 2.74Å; T175-K177 PolarHBondContact O-N 3.48Å
176S49.6Very low57.9Low102 Ų102150.1 Ų150.171%0.71375%0.747SS**  trans-62.389.3168.8164.90000105.6K174 R178K174-S176 VanDerWaalsContact C-N 3.27Å; K174-S176 PolarHBondContact O-N 3.3Å; S176-R178 PolarHBondContact O-N 3.4Å
177K48.1Very low55.9Low188 Ų188148.6 Ų148.682%0.81775%0.746SS**  trans-56.896.4164.3-78.5-172.9175.4-177.50105.4T175 K179T175-K177 PolarHBondContact O-N 3.48Å; K177-K179 VanDerWaalsContact C-N 3.28Å; K177-K179 PolarHBondContact O-N 3.26Å
178R50.7Low53.9Low237 Ų237152.6 Ų152.689%0.89477%0.768SS**  trans-58.3101.1164.9-78-176174.4179.7-1.2105.1S176 C180S176-R178 PolarHBondContact O-N 3.4Å; R178-C180 VanDerWaalsContact C-N 3.33Å; R178-C180 PolarHBondContact O-N 3.2Å
179K47.8Very low52.2Low183 Ų183157.8 Ų157.880%0.79680%0.795SS**  trans-61.6104.9164.7-80-175.4175.2-177.70105.1K177 L181K177-K179 VanDerWaalsContact C-N 3.28Å; K177-K179 PolarHBondContact O-N 3.26Å; K179-L181 HydrophobicContact CB-CD1 4.43Å; K179-L181 PolarHBondContact O-N 3.34Å
180C47.6Very low51.5Low110 Ų110160.3 Ų160.374%0.74380%0.795SS**  trans-65.993.3165.4-151.10000105.6R178R178-C180 VanDerWaalsContact C-N 3.33Å; R178-C180 PolarHBondContact O-N 3.2Å
181L52.1Low51.1Low137 Ų137165.6 Ų165.672%0.71782%0.823SS**  trans-87.697.2162.3-114.199.5000105K179 L183K179-L181 HydrophobicContact CB-CD1 4.43Å; K179-L181 PolarHBondContact O-N 3.34Å; L181-L183 HydrophobicContact CD2-CD1 4.4Å; L181-L183 HydrophobicContact CD2-CG 4.36Å
182I59.6Low50.7Low150 Ų150168.4 Ų168.477%0.76983%0.825SS**  trans-96.3103.6159.2-56.4178.4000103.6
183L52.4Low50.6Low218 Ų218166.8 Ų166.8100%1.14183%0.827SS**  trans-78.40160.8-79164.4000108.4L181L181-L183 HydrophobicContact CD2-CD1 4.4Å; L181-L183 HydrophobicContact CD2-CG 4.36Å

Retrieved 183 of 183 residues in 567.5 ms (Link to these results)

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