A0A096MZZ8_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (A0A0G2JE52), UniProt , Accession A0A096MZZ8, Species PAPAN (Papio anubis, Olive baboon), Gene RAP1A, Length 159 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
1M74.3Confident92.6Very high138 Ų13852.7 Ų52.768%0.6823%0.234SC*.  0122.80-168.2177-67.100106.8Q43 Q50 M52M1-Q43 HydrophobicContact CE-CG 4.33Å; M1-Q43 HydrophobicContact SD-CG 3.97Å; M1-Q50 WeakPolarHBondContact CG-O 3.49Å; M1-M52 HydrophobicContact CG-CB 4.47Å; M1-M52 HydrophobicContact SD-CB 4.24Å; M1-M52 HydrophobicContact SD-CE 4.11Å
2R90.8Very high92.5Very high167 Ų16751.8 Ų51.863%0.6325%0.25SS*.EExtended strand (participates in β ladder)trans-77.8135.7-176.5-167.3166.9179-176.83.7109Y4 C51 M52R2-Y4 HydrophobicContact CB-CE2 3.93Å; R2-Y4 VanDerWaalsContact CD-OH 3.32Å; R2-Y4 WeakPolarHBondContact CD-OH 3.49Å; R2-Y4 HydrophobicContact CG-CD2 4.37Å; R2-Y4 HydrophobicContact CG-CE2 3.7Å; R2-Y4 PolarHBondContact NE-OH 2.73Å; R2-Y4 PolarHBondContact NH1-OH 3.47Å; R2-C51 WeakPolarHBondContact O-CA 3.41Å; R2-M52 PolarHBondContact O-N 2.94Å
3E94.3Very high92.3Very high76 Ų7650 Ų5036%0.35525%0.253SS..EExtended strand (participates in β ladder)trans-102.7135178.2-175.2162.8-131.800109.6R41 M52E3-R41 IonicContact OE1-CZ 3.48Å; E3-R41 IonicContact OE1-NE 3.47Å; E3-R41 PolarHBondContact OE1-NE 2.96Å; E3-R41 IonicContact OE1-NH2 2.73Å; E3-R41 PolarHBondContact OE1-NH2 3.1Å; E3-M52 CarbonylContact C-O 3.56Å; E3-M52 VanDerWaalsContact CA-O 3.31Å; E3-M52 WeakPolarHBondContact CA-O 3.35Å
4Y96.3Very high92.4Very high68 Ų6846.4 Ų46.427%0.26724%0.235SC..EExtended strand (participates in β ladder)trans-123.5123.9179.3-68.2-93.4000109.7R2 C51 M52 L53 E54R2-Y4 HydrophobicContact CB-CE2 3.93Å; R2-Y4 VanDerWaalsContact CD-OH 3.32Å; R2-Y4 WeakPolarHBondContact CD-OH 3.49Å; R2-Y4 HydrophobicContact CG-CD2 4.37Å; R2-Y4 HydrophobicContact CG-CE2 3.7Å; R2-Y4 PolarHBondContact NE-OH 2.73Å; R2-Y4 PolarHBondContact NH1-OH 3.47Å; Y4-C51 HydrophobicContact CD2-CB 4.02Å; Y4-C51 HydrophobicContact CE2-CB 3.94Å; Y4-M52 PolarHBondContact N-O 3.31Å; Y4-L53 HydrophobicContact CD2-CD2 4.42Å; Y4-L53 HydrophobicContact CG-CD2 4.39Å; Y4-E54 PolarHBondContact O-N 3.22Å
5K96.1Very high92.5Very high85 Ų8544.5 Ų44.537%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-95.8104.2-179.9-59.9-170.5176.9-163.50110.1E54 Q76 G77K5-E54 CarbonylContact C-O 3.56Å; K5-E54 WeakPolarHBondContact CA-O 3.44Å; K5-E54 VanDerWaalsContact CE-OE2 3.24Å; K5-E54 WeakPolarHBondContact CE-OE2 3.35Å; K5-E54 HydrophobicContact CG-CB 4.48Å; K5-E54 IonicContact NZ-OE2 3.46Å; K5-Q76 HydrophobicContact CB-CG 4.34Å; K5-Q76 WeakPolarHBondContact O-CA 3.44Å; K5-Q76 PolarHBondContact O-N 2.56Å; K5-G77 PolarHBondContact O-N 2.96Å
6L96.8Very high92.6Very high31 Ų3142.3 Ų42.316%0.16222%0.219CC..EExtended strand (participates in β ladder)trans-101.6140.7178.4-54.6-177.5000109.3L53 E54 I55 L56 G77 F158L6-L53 HydrophobicContact CD1-CD1 4.24Å; L6-L53 HydrophobicContact CD1-CD2 4.07Å; L6-E54 PolarHBondContact N-O 3.14Å; L6-I55 HydrophobicContact CB-CG1 4.33Å; L6-I55 HydrophobicContact CD1-CG1 4.47Å; L6-I55 WeakPolarHBondContact O-CA 3.11Å; L6-L56 PolarHBondContact O-N 2.98Å; L6-G77 WeakPolarHBondContact CA-O 3.5Å; L6-F158 HydrophobicContact CD1-CB 4.29Å; L6-F158 HydrophobicContact CD1-CD1 3.85Å
7V95.9Very high92.6Very high4 Ų441.6 Ų41.62%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-123.5127179.1-1720000109L9 L56 T58 Y71 G77 F78 A79V7-L9 HydrophobicContact CG1-CD1 4.32Å; V7-L9 HydrophobicContact CG1-CD2 3.69Å; V7-L9 HydrophobicContact CG1-CG 3.81Å; V7-L56 HydrophobicContact CG1-CB 4.4Å; V7-L56 HydrophobicContact CG1-CD2 4.28Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V7-T58 HydrophobicContact CG1-CG2 3.9Å; V7-Y71 HydrophobicContact CG1-CD2 3.96Å; V7-Y71 HydrophobicContact CG1-CG 4.32Å; V7-G77 PolarHBondContact N-O 3.14Å; V7-F78 HydrophobicContact CB-CD1 3.81Å; V7-F78 HydrophobicContact CB-CE1 3.98Å; V7-F78 HydrophobicContact CG1-CD1 4.43Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 4.03Å; V7-F78 WeakPolarHBondContact O-CA 3.48Å; V7-A79 PolarHBondContact O-N 3.42Å
8V95.4Very high92.7Very high1 Ų140.7 Ų40.71%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-99.8116.6178-169.90000108.7K16 I55 L56 T58 A79 V81 F158V8-K16 HydrophobicContact CG1-CB 3.72Å; V8-K16 HydrophobicContact CG1-CD 4.24Å; V8-K16 HydrophobicContact CG1-CG 3.93Å; V8-I55 HydrophobicContact CG2-CG2 3.7Å; V8-L56 PolarHBondContact N-O 2.92Å; V8-T58 PolarHBondContact O-OG1 2.86Å; V8-A79 HydrophobicContact CG1-CB 4.48Å; V8-V81 HydrophobicContact CG1-CG2 3.62Å; V8-F158 HydrophobicContact CG2-CE1 3.88Å; V8-F158 HydrophobicContact CG2-CZ 4.15Å
9L93.9Very high92.8Very high1 Ų138.6 Ų38.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-124.2154.5-173.8-60.5175000111.5V7 T58 Y71 M72 F78 A79 V81 L96 I100V7-L9 HydrophobicContact CG1-CD1 4.32Å; V7-L9 HydrophobicContact CG1-CD2 3.69Å; V7-L9 HydrophobicContact CG1-CG 3.81Å; L9-T58 HydrophobicContact CD2-CG2 3.63Å; L9-Y71 HydrophobicContact CD1-CE2 4.27Å; L9-Y71 HydrophobicContact CD2-CD2 3.99Å; L9-Y71 HydrophobicContact CD2-CE2 3.34Å; L9-Y71 HydrophobicContact CG-CE2 4.44Å; L9-M72 HydrophobicContact CD1-CE 4.39Å; L9-F78 HydrophobicContact CD1-CD1 3.77Å; L9-F78 HydrophobicContact CD1-CE1 4.42Å; L9-A79 PolarHBondContact N-O 2.83Å; L9-V81 PolarHBondContact O-N 3.33Å; L9-L96 HydrophobicContact CB-CD1 4.44Å; L9-L96 HydrophobicContact CB-CD2 3.52Å; L9-L96 HydrophobicContact CB-CG 4.35Å; L9-L96 HydrophobicContact CD1-CD1 4.3Å; L9-L96 HydrophobicContact CD1-CD2 4.46Å; L9-L96 HydrophobicContact CD1-CG 4.46Å; L9-I100 HydrophobicContact CD1-CD1 3.76Å; L9-I100 HydrophobicContact CD1-CG1 4.2Å
10G93.4Very high92.9Very high2 Ų236.7 Ų36.72%0.02120%0.197CC..  trans149171.818000000112.6K16 V81G10-K16 PolarHBondContact O-NZ 3.45Å; G10-V81 WeakPolarHBondContact CA-O 3.25Å
11S91.9Very high92.9Very high7 Ų735.8 Ų35.85%0.04919%0.193CC..SBendtrans-62.9167.8-176.2-48.70000113.3V14 K16 T61 D92S11-V14 VanDerWaalsContact O-CG2 3.26Å; S11-V14 WeakPolarHBondContact O-CG2 3.37Å; S11-K16 PolarHBondContact O-NZ 3.35Å; S11-T61 WeakPolarHBondContact CA-OG1 3.45Å; S11-T61 PolarHBondContact OG-OG1 3.24Å; S11-D92 WeakPolarHBondContact OG-CB 3.47Å; S11-D92 PolarHBondContact OG-OD2 3.21Å
12G90.3Very high93.9Very high42 Ų4229.7 Ų29.743%0.43316%0.163SC..THydrogen-bonded Turntrans-59.7144.5176.200000111.8V14G12-V14 PolarHBondContact O-N 2.87Å; G12-V14 VanDerWaalsContact O-N 3.09Å
13G90.1Very high94.1Very high28 Ų2822 Ų2229%0.28913%0.133SC..THydrogen-bonded Turntrans69.44173.200000117.1G15 Y32 K117G13-G15 PolarHBondContact O-N 2.92Å; G13-Y32 PolarHBondContact N-OH 2.76Å; G13-K117 WeakPolarHBondContact O-CE 3.33Å; G13-K117 PolarHBondContact O-NZ 3.5Å
14V94.7Very high94.1Very high0 Ų020 Ų200%013%0.126CC..SBendtrans-71.6-16.5177.5-58.10000113.5S11 G12 K16 V81 T89 N116S11-V14 VanDerWaalsContact O-CG2 3.26Å; S11-V14 WeakPolarHBondContact O-CG2 3.37Å; G12-V14 PolarHBondContact O-N 2.87Å; G12-V14 VanDerWaalsContact O-N 3.09Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.58Å; V14-V81 HydrophobicContact CB-CG1 4.36Å; V14-V81 HydrophobicContact CG2-CB 4.09Å; V14-V81 HydrophobicContact CG2-CG1 3.94Å; V14-T89 HydrophobicContact CG1-CG2 3.74Å; V14-N116 PolarHBondContact O-ND2 3.02Å
15G93.7Very high93.9Very high17 Ų1722 Ų2218%0.17514%0.138CC..SBendtrans98.529.8176.900000115.4G13 A18 L19G13-G15 PolarHBondContact O-N 2.92Å; G15-A18 PolarHBondContact O-N 2.87Å; G15-L19 WeakPolarHBondContact O-CG 3.44Å; G15-L19 PolarHBondContact O-N 3.47Å
16K94Very high93.6Very high9 Ų919.6 Ų19.64%0.03914%0.137CC..Hα-helixtrans-54.6-56.9173.7-56.5-171.4-64-780111.8V8 G10 S11 V14 A18 L19 T20 D57 T58 V81V8-K16 HydrophobicContact CG1-CB 3.72Å; V8-K16 HydrophobicContact CG1-CD 4.24Å; V8-K16 HydrophobicContact CG1-CG 3.93Å; G10-K16 PolarHBondContact O-NZ 3.45Å; S11-K16 PolarHBondContact O-NZ 3.35Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.58Å; K16-A18 VanDerWaalsContact C-N 3.28Å; K16-A18 PolarHBondContact O-N 3.48Å; K16-L19 PolarHBondContact O-N 2.95Å; K16-L19 VanDerWaalsContact O-N 3.12Å; K16-T20 PolarHBondContact O-N 2.83Å; K16-T20 PolarHBondContact O-OG1 2.97Å; K16-T20 VanDerWaalsContact O-OG1 3.14Å; K16-D57 VanDerWaalsContact CB-OD1 3.26Å; K16-D57 WeakPolarHBondContact CB-OD1 3.06Å; K16-T58 WeakPolarHBondContact CE-O 3.32Å; K16-V81 HydrophobicContact CG-CB 4.32Å
17S92.7Very high93.2Very high31 Ų3122 Ų2222%0.21715%0.15CC..Hα-helixtrans-59.4-39.2176.8-410000112.2L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 2.77Å; S17-T20 PolarHBondContact O-N 2.87Å; S17-V21 VanDerWaalsContact O-CB 3.27Å; S17-V21 WeakPolarHBondContact O-CB 3.41Å; S17-V21 VanDerWaalsContact O-CG2 3.24Å; S17-V21 WeakPolarHBondContact O-CG2 3.46Å; S17-V21 PolarHBondContact O-N 2.86Å; S17-T35 PolarHBondContact OG-OG1 3.24Å; S17-D57 WeakPolarHBondContact CA-OD2 3.47Å; S17-D57 WeakPolarHBondContact CB-OD2 3.22Å; S17-D57 PolarHBondContact N-OD1 2.89Å; S17-D57 PolarHBondContact OG-OD1 2.82Å; S17-D57 PolarHBondContact OG-OD2 3.12Å
18A93.8Very high92.7Very high25 Ų2525.4 Ų25.421%0.20716%0.164CC..Hα-helixtrans-63.8-41.8177.700000112G15 K16 Q22 F28 A148G15-A18 PolarHBondContact O-N 2.87Å; K16-A18 VanDerWaalsContact C-N 3.28Å; K16-A18 PolarHBondContact O-N 3.48Å; A18-Q22 WeakPolarHBondContact O-CB 3.5Å; A18-Q22 PolarHBondContact O-N 2.94Å; A18-F28 HydrophobicContact CB-CD2 4.31Å; A18-F28 HydrophobicContact CB-CE2 3.97Å; A18-A148 HydrophobicContact CB-CB 3.63Å
19L95.8Very high91.8Very high1 Ų129.4 Ų29.41%0.00519%0.189CC..Hα-helixtrans-65.9-46.9174.7-72.9169.4000111.4G15 K16 S17 Q22 F23 V81 V114 N116 A148 V154 I157G15-L19 WeakPolarHBondContact O-CG 3.44Å; G15-L19 PolarHBondContact O-N 3.47Å; K16-L19 PolarHBondContact O-N 2.95Å; K16-L19 VanDerWaalsContact O-N 3.12Å; S17-L19 PolarHBondContact O-N 2.77Å; L19-Q22 PolarHBondContact O-N 3.05Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 PolarHBondContact O-N 2.7Å; L19-V81 HydrophobicContact CD1-CG1 3.88Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L19-V114 HydrophobicContact CD1-CG1 4.18Å; L19-N116 HydrophobicContact CD1-CB 4.23Å; L19-A148 HydrophobicContact CD2-CB 3.92Å; L19-A148 HydrophobicContact CG-CB 4.17Å; L19-V154 HydrophobicContact CD2-CG2 4.05Å; L19-I157 HydrophobicContact CD1-CD1 4.24Å; L19-I157 HydrophobicContact CD2-CD1 4.11Å
20T94.6Very high90.8Very high0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-62.6-48.5-179.6-56.80000111.8K16 S17 F23 V24 Y40 I55 D57K16-T20 PolarHBondContact O-N 2.83Å; K16-T20 PolarHBondContact O-OG1 2.97Å; K16-T20 VanDerWaalsContact O-OG1 3.14Å; S17-T20 PolarHBondContact O-N 2.87Å; T20-F23 PolarHBondContact O-N 3.01Å; T20-V24 HydrophobicContact CG2-CG2 4.36Å; T20-V24 WeakPolarHBondContact O-CB 3.25Å; T20-V24 WeakPolarHBondContact O-CG2 3.45Å; T20-V24 PolarHBondContact O-N 2.79Å; T20-Y40 HydrophobicContact CG2-CD2 3.38Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 3.8Å; T20-I55 HydrophobicContact CG2-CB 4.22Å; T20-I55 HydrophobicContact CG2-CG2 3.67Å; T20-D57 HydrophobicContact CG2-CB 4.47Å
21V93.1Very high89.8Confident19 Ų1945.6 Ų45.612%0.11526%0.261CS..Hα-helixtrans-66.2-40.6178.2172.80000111S17 F23 V24 Q25 G26 I27 Y40S17-V21 VanDerWaalsContact O-CB 3.27Å; S17-V21 WeakPolarHBondContact O-CB 3.41Å; S17-V21 VanDerWaalsContact O-CG2 3.24Å; S17-V21 WeakPolarHBondContact O-CG2 3.46Å; S17-V21 PolarHBondContact O-N 2.86Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.44Å; V21-V24 PolarHBondContact O-N 3.34Å; V21-Q25 HydrophobicContact CG1-CB 4.34Å; V21-Q25 WeakPolarHBondContact O-CA 3.31Å; V21-Q25 WeakPolarHBondContact O-CB 3.24Å; V21-Q25 PolarHBondContact O-N 2.87Å; V21-G26 PolarHBondContact O-N 3.29Å; V21-I27 HydrophobicContact CG1-CD1 4.35Å; V21-I27 HydrophobicContact CG1-CG1 3.79Å; V21-Y40 HydrophobicContact CG2-CE1 4.2Å
22Q94.9Very high88.5Confident10 Ų1052.3 Ų52.35%0.04729%0.286CS..Hα-helixtrans-62.1-41.2175.5-175.967.7-87.500111.1A18 L19 G26 I27 A148 K151 V154A18-Q22 WeakPolarHBondContact O-CB 3.5Å; A18-Q22 PolarHBondContact O-N 2.94Å; L19-Q22 PolarHBondContact O-N 3.05Å; Q22-G26 WeakPolarHBondContact O-CA 3.2Å; Q22-G26 PolarHBondContact O-N 2.87Å; Q22-G26 VanDerWaalsContact OE1-CA 3.31Å; Q22-G26 PolarHBondContact OE1-O 2.82Å; Q22-G26 VanDerWaalsContact OE1-O 3.05Å; Q22-I27 WeakPolarHBondContact CA-O 3.29Å; Q22-A148 PolarHBondContact NE2-O 3.34Å; Q22-K151 HydrophobicContact CG-CG 4.28Å; Q22-K151 VanDerWaalsContact OE1-CE 3.26Å; Q22-V154 HydrophobicContact CB-CG1 4.1Å; Q22-V154 HydrophobicContact CG-CB 4.48Å; Q22-V154 HydrophobicContact CG-CG1 3.97Å; Q22-V154 HydrophobicContact CG-CG2 4.1Å
23F95.5Very high87.6Confident4 Ų456.7 Ų56.72%0.01830%0.3CS..Hα-helixtrans-65-48.3175.6178.1-109.3000111.8L19 T20 V21 K42 V44 L53 I55 V154 N155 F158 L159L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 PolarHBondContact O-N 2.7Å; T20-F23 PolarHBondContact O-N 3.01Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.44Å; F23-K42 HydrophobicContact CD1-CD 3.9Å; F23-K42 HydrophobicContact CE1-CB 4.27Å; F23-K42 HydrophobicContact CE1-CD 3.47Å; F23-K42 VanDerWaalsContact CE1-CD 3.47Å; F23-K42 HydrophobicContact CE1-CG 4.47Å; F23-K42 HydrophobicContact CE2-CD 4.42Å; F23-K42 HydrophobicContact CZ-CD 3.79Å; F23-K42 WeakPolarHBondContact O-CE 3.42Å; F23-K42 PolarHBondContact O-NZ 3.4Å; F23-V44 HydrophobicContact CZ-CG1 3.95Å; F23-L53 HydrophobicContact CE1-CD1 3.85Å; F23-L53 HydrophobicContact CZ-CD1 3.77Å; F23-I55 HydrophobicContact CD1-CD1 3.43Å; F23-I55 VanDerWaalsContact CD1-CD1 3.43Å; F23-I55 HydrophobicContact CE1-CD1 3.56Å; F23-V154 HydrophobicContact CB-CG1 3.89Å; F23-N155 VanDerWaalsContact CD2-OD1 3.29Å; F23-N155 WeakPolarHBondContact CD2-OD1 3.41Å; F23-N155 HydrophobicContact CE2-CB 4.44Å; F23-F158 HydrophobicContact CB-CD2 3.87Å; F23-F158 HydrophobicContact CB-CE2 3.78Å; F23-F158 HydrophobicContact CD1-CB 4.39Å; F23-F158 AromaticContact CD1-CD2 3.87Å; F23-F158 HydrophobicContact CD1-CD2 3.87Å; F23-F158 HydrophobicContact CD1-CE2 4.34Å; F23-F158 HydrophobicContact CD1-CG 4.14Å; F23-F158 HydrophobicContact CD2-CB 4.32Å; F23-F158 AromaticContact CD2-CD2 3.67Å; F23-F158 HydrophobicContact CD2-CD2 3.67Å; F23-F158 HydrophobicContact CD2-CE2 4.43Å; F23-F158 HydrophobicContact CD2-CG 4.36Å; F23-F158 HydrophobicContact CE1-CB 3.95Å; F23-F158 HydrophobicContact CE1-CD2 4.29Å; F23-F158 HydrophobicContact CE1-CG 4.17Å; F23-F158 HydrophobicContact CE2-CB 3.88Å; F23-F158 HydrophobicContact CE2-CD2 4.11Å; F23-F158 HydrophobicContact CE2-CG 4.39Å; F23-F158 AromaticContact CG-CD2 3.52Å; F23-F158 HydrophobicContact CG-CD2 3.52Å; F23-F158 AromaticContact CG-CE2 3.95Å; F23-F158 HydrophobicContact CG-CE2 3.95Å; F23-F158 HydrophobicContact CG-CG 4.22Å; F23-F158 HydrophobicContact CZ-CB 3.65Å; F23-F158 HydrophobicContact CZ-CD2 4.38Å; F23-F158 HydrophobicContact CZ-CG 4.28Å; F23-L159 HydrophobicContact CE2-CD2 4.29Å; F23-L159 HydrophobicContact CE2-CG 4.27Å; F23-L159 HydrophobicContact CZ-CD2 4.16Å
24V93.6Very high86.6Confident34 Ų3459 Ų5921%0.20631%0.309CS..Hα-helixtrans-77.5-44.2-171.7176.90000112.3T20 V21 Y40 K42 I55T20-V24 HydrophobicContact CG2-CG2 4.36Å; T20-V24 WeakPolarHBondContact O-CB 3.25Å; T20-V24 WeakPolarHBondContact O-CG2 3.45Å; T20-V24 PolarHBondContact O-N 2.79Å; V21-V24 PolarHBondContact O-N 3.34Å; V24-Y40 HydrophobicContact CG1-CD1 4.33Å; V24-Y40 HydrophobicContact CG2-CD1 4.49Å; V24-Y40 HydrophobicContact CG2-CG 4.36Å; V24-K42 HydrophobicContact CG2-CB 4.47Å; V24-I55 HydrophobicContact CG2-CD1 4.31Å
25Q90.9Very high85.3Confident111 Ų11160 Ų6052%0.51932%0.315SS..Hα-helixtrans-111.3-13.7-169.6-58.5-178.38.400113.4V21 I27V21-Q25 HydrophobicContact CG1-CB 4.34Å; V21-Q25 WeakPolarHBondContact O-CA 3.31Å; V21-Q25 WeakPolarHBondContact O-CB 3.24Å; V21-Q25 PolarHBondContact O-N 2.87Å; Q25-I27 HydrophobicContact CB-CD1 4.44Å; Q25-I27 HydrophobicContact CB-CG1 3.91Å; Q25-I27 PolarHBondContact O-N 3.43Å
26G90.3Very high84.2Confident34 Ų3465.6 Ų65.635%0.35134%0.34SS..SBendtrans7215.218000000114.7V21 Q22 K151V21-G26 PolarHBondContact O-N 3.29Å; Q22-G26 WeakPolarHBondContact O-CA 3.2Å; Q22-G26 PolarHBondContact O-N 2.87Å; Q22-G26 VanDerWaalsContact OE1-CA 3.31Å; Q22-G26 PolarHBondContact OE1-O 2.82Å; Q22-G26 VanDerWaalsContact OE1-O 3.05Å; G26-K151 PolarHBondContact O-NZ 3.34Å
27I89Confident83.2Confident82 Ų8269.3 Ų69.342%0.42136%0.358SS..  trans-115.9153.5178.765.7171.1000111.4V21 Q22 Q25 V29V21-I27 HydrophobicContact CG1-CD1 4.35Å; V21-I27 HydrophobicContact CG1-CG1 3.79Å; Q22-I27 WeakPolarHBondContact CA-O 3.29Å; Q25-I27 HydrophobicContact CB-CD1 4.44Å; Q25-I27 HydrophobicContact CB-CG1 3.91Å; Q25-I27 PolarHBondContact O-N 3.43Å; I27-V29 HydrophobicContact CD1-CG2 4.22Å
28F84.9Confident82.8Confident76 Ų7671.6 Ų71.633%0.33337%0.367SS..  trans-116.9124.2170.9179.6-105.4000109A18 E30 A148 K149A18-F28 HydrophobicContact CB-CD2 4.31Å; A18-F28 HydrophobicContact CB-CE2 3.97Å; F28-E30 HydrophobicContact CD1-CG 4.07Å; F28-E30 HydrophobicContact CE1-CG 3.68Å; F28-A148 HydrophobicContact CD2-CB 4.15Å; F28-A148 HydrophobicContact CE2-CB 4.12Å; F28-K149 HydrophobicContact CD1-CB 4.4Å; F28-K149 HydrophobicContact CD1-CG 4.18Å; F28-K149 HydrophobicContact CD2-CB 4.35Å; F28-K149 HydrophobicContact CE1-CB 4.06Å; F28-K149 HydrophobicContact CE1-CD 4.26Å; F28-K149 HydrophobicContact CE1-CG 3.89Å; F28-K149 HydrophobicContact CE2-CB 4.03Å; F28-K149 HydrophobicContact CZ-CB 3.88Å; F28-K149 HydrophobicContact CZ-CG 4.2Å
29V76.4Confident82.6Confident85 Ų8573.5 Ų73.552%0.51538%0.379SS..  trans-103.3115.8177.3-177.10000108.1I27 K31I27-V29 HydrophobicContact CD1-CG2 4.22Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 HydrophobicContact CG1-CB 4.39Å; V29-K31 PolarHBondContact O-N 2.85Å
30E72.8Confident82.5Confident159 Ų15975.5 Ų75.574%0.74339%0.387SS*.  trans-70.2-26.3-179.1-80.3-176.2166.900113.5F28 Y32F28-E30 HydrophobicContact CD1-CG 4.07Å; F28-E30 HydrophobicContact CE1-CG 3.68Å; E30-Y32 PolarHBondContact O-N 2.78Å
31K72.4Confident82.5Confident183 Ų18382.5 Ų82.580%0.79641%0.413SS*.SBendtrans-77.3119179.6-68-171.9179.8-177.60109.8V29 D33V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 HydrophobicContact CG1-CB 4.39Å; V29-K31 PolarHBondContact O-N 2.85Å; K31-D33 PolarHBondContact O-N 2.82Å
32Y65.5Low82.5Confident149 Ų14984.3 Ų84.358%0.58442%0.42SS*.  trans-78.7114.6171.7-177.8-105.6000109.8G13 E30 P34G13-Y32 PolarHBondContact N-OH 2.76Å; E30-Y32 PolarHBondContact O-N 2.78Å; Y32-P34 HydrophobicContact CD1-CG 4.35Å; Y32-P34 HydrophobicContact CE1-CB 4.32Å; Y32-P34 HydrophobicContact CE1-CG 3.83Å
33D70.2Confident82.5Confident134 Ų13488.4 Ų88.472%0.71744%0.439SS*.  trans-109121.5164.1-162.1-1.1000107.4K31 T35K31-D33 PolarHBondContact O-N 2.82Å; D33-T35 PolarHBondContact O-N 2.81Å; D33-T35 VanDerWaalsContact O-N 3.12Å
34P69Low82.5Confident75 Ų7589 Ų8949%0.48744%0.443SS..  trans-58.4116.1179.6-22.932.1000112.1Y32Y32-P34 HydrophobicContact CD1-CG 4.35Å; Y32-P34 HydrophobicContact CE1-CB 4.32Å; Y32-P34 HydrophobicContact CE1-CG 3.83Å
35T68.8Low82.5Confident21 Ų2193.4 Ų93.413%0.12946%0.461CS..  trans-70.5139.7177.2-45.60000111.6S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 3.24Å; D33-T35 PolarHBondContact O-N 2.81Å; D33-T35 VanDerWaalsContact O-N 3.12Å; T35-D38 HydrophobicContact CG2-CB 4.44Å; T35-A59 WeakPolarHBondContact O-CA 3.38Å; T35-A59 WeakPolarHBondContact O-CB 3.48Å
36I70.4Confident82.5Confident135 Ų13589.6 Ų89.669%0.69245%0.446SS*.SBendtrans-89.1-66.2168.5-61.9173000108.6A59I36-A59 VanDerWaalsContact O-CB 3.29Å; I36-A59 WeakPolarHBondContact O-CB 3.32Å; I36-A59 PolarHBondContact O-N 2.54Å; I36-A59 VanDerWaalsContact O-N 3.11Å
37E72.2Confident82.5Confident88 Ų8895.1 Ų95.141%0.41147%0.467SS..EExtended strand (participates in β ladder)trans-166.5127.9171.8-176.6179106.100107.3L56 D57E37-L56 HydrophobicContact CG-CD1 3.64Å; E37-L56 HydrophobicContact CG-CG 4.28Å; E37-D57 WeakPolarHBondContact CA-O 3.26Å
38D84.9Confident82.6Confident78 Ų7896.7 Ų96.742%0.41748%0.484SS..EExtended strand (participates in β ladder)trans-132.1137.8175.9-81.3-42.8000110.7T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.44Å; D38-Y40 HydrophobicContact CB-CD2 4.28Å; D38-Y40 HydrophobicContact CB-CE2 3.46Å; D38-Y40 VanDerWaalsContact CB-CE2 3.46Å; D38-D57 PolarHBondContact N-O 3.25Å; D38-D57 PolarHBondContact O-N 2.95Å
39S89.4Confident83Confident65 Ų6599 Ų9946%0.45550%0.496SS..EExtended strand (participates in β ladder)trans-107.9125.5174.8-179.80000110.4
40Y92.9Very high83.8Confident43 Ų43100.4 Ų100.417%0.16950%0.497CS..EExtended strand (participates in β ladder)trans-114.5142.9178.2-61.4-95.1000110T20 V21 V24 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.38Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 3.8Å; V21-Y40 HydrophobicContact CG2-CE1 4.2Å; V24-Y40 HydrophobicContact CG1-CD1 4.33Å; V24-Y40 HydrophobicContact CG2-CD1 4.49Å; V24-Y40 HydrophobicContact CG2-CG 4.36Å; D38-Y40 HydrophobicContact CB-CD2 4.28Å; D38-Y40 HydrophobicContact CB-CE2 3.46Å; D38-Y40 VanDerWaalsContact CB-CE2 3.46Å; Y40-E54 CarbonylContact O-C 3.59Å; Y40-E54 WeakPolarHBondContact O-CA 3.38Å; Y40-I55 PolarHBondContact N-O 2.75Å; Y40-I55 PolarHBondContact O-N 3.35Å; Y40-D57 HydrophobicContact CD2-CB 4.38Å; Y40-D57 HydrophobicContact CE2-CB 4Å
41R94.6Very high84.9Confident147 Ų14793.1 Ų93.156%0.55546%0.463SS*.EExtended strand (participates in β ladder)trans-122.8132.4176.1-62.8179.179.9-159.69.1110.6E3 M52 L53 E54E3-R41 IonicContact OE1-CZ 3.48Å; E3-R41 IonicContact OE1-NE 3.47Å; E3-R41 PolarHBondContact OE1-NE 2.96Å; E3-R41 IonicContact OE1-NH2 2.73Å; E3-R41 PolarHBondContact OE1-NH2 3.1Å; R41-M52 HydrophobicContact CB-SD 4.15Å; R41-L53 CarbonylContact C-O 3.46Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.21Å; R41-E54 HydrophobicContact CG-CB 4.44Å; R41-E54 HydrophobicContact CG-CG 4.31Å
42K94.3Very high86Confident57 Ų5786.2 Ų86.225%0.24843%0.434CS..EExtended strand (participates in β ladder)trans-138.4127.2177-166.5-171.6-175.3-1790110F23 V24 V44 L53F23-K42 HydrophobicContact CD1-CD 3.9Å; F23-K42 HydrophobicContact CE1-CB 4.27Å; F23-K42 HydrophobicContact CE1-CD 3.47Å; F23-K42 VanDerWaalsContact CE1-CD 3.47Å; F23-K42 HydrophobicContact CE1-CG 4.47Å; F23-K42 HydrophobicContact CE2-CD 4.42Å; F23-K42 HydrophobicContact CZ-CD 3.79Å; F23-K42 WeakPolarHBondContact O-CE 3.42Å; F23-K42 PolarHBondContact O-NZ 3.4Å; V24-K42 HydrophobicContact CG2-CB 4.47Å; K42-V44 HydrophobicContact CD-CG1 3.8Å; K42-V44 HydrophobicContact CG-CG1 3.97Å; K42-L53 PolarHBondContact N-O 2.92Å; K42-L53 PolarHBondContact O-N 3.3Å
43Q95.3Very high87.5Confident96 Ų9679.5 Ų79.545%0.44941%0.408SS..EExtended strand (participates in β ladder)trans-80.4129.2168.6-170.3179.8-7.700109.1M1 Q50 C51 M52M1-Q43 HydrophobicContact CE-CG 4.33Å; M1-Q43 HydrophobicContact SD-CG 3.97Å; Q43-Q50 VanDerWaalsContact NE2-OE1 3.13Å; Q43-C51 WeakPolarHBondContact CA-O 3.35Å; Q43-M52 HydrophobicContact CB-CE 4.11Å; Q43-M52 HydrophobicContact CB-SD 4.44Å
44V94.4Very high88.7Confident18 Ų1875.5 Ų75.511%0.10939%0.386CS..EExtended strand (participates in β ladder)trans-136.1164-179.4-60.30000110.4F23 K42 V46 Q50 C51 L53 L159F23-V44 HydrophobicContact CZ-CG1 3.95Å; K42-V44 HydrophobicContact CD-CG1 3.8Å; K42-V44 HydrophobicContact CG-CG1 3.97Å; V44-V46 HydrophobicContact CG2-CG2 4.06Å; V44-Q50 WeakPolarHBondContact O-CA 3.41Å; V44-C51 HydrophobicContact CG2-CB 4.42Å; V44-C51 PolarHBondContact N-O 2.97Å; V44-C51 PolarHBondContact O-N 2.95Å; V44-L53 HydrophobicContact CG1-CD1 4.2Å; V44-L53 HydrophobicContact CG2-CD1 3.69Å; V44-L53 HydrophobicContact CG2-CD2 4.38Å; V44-L53 HydrophobicContact CG2-CG 3.71Å; V44-L159 HydrophobicContact CB-CD2 3.81Å; V44-L159 HydrophobicContact CG1-CD2 4Å; V44-L159 HydrophobicContact CG2-CD2 3.86Å
45E93.5Very high90Very high125 Ų12572 Ų7258%0.58436%0.362SS*.EExtended strand (participates in β ladder)trans-112.1119.8171.8-170.3176.1145.400108.6C48 Q49E45-C48 WeakPolarHBondContact OE1-CA 3.4Å; E45-Q49 WeakPolarHBondContact CA-O 3.24Å
46V91.3Very high91.2Very high32 Ų3272.2 Ų72.219%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-123.8128176.61790000106.9V44 C48 Q49 L159V44-V46 HydrophobicContact CG2-CG2 4.06Å; V46-C48 VanDerWaalsContact C-N 3.26Å; V46-C48 PolarHBondContact O-N 3.48Å; V46-Q49 PolarHBondContact N-O 3.47Å; V46-Q49 WeakPolarHBondContact O-CA 3.43Å; V46-Q49 WeakPolarHBondContact O-CB 3.27Å; V46-Q49 PolarHBondContact O-N 3.12Å; V46-L159 WeakPolarHBondContact CG1-OXT 3.35Å; V46-L159 HydrophobicContact CG2-CB 4.45Å; V46-L159 HydrophobicContact CG2-CD2 3.92Å
47D90.9Very high92.2Very high149 Ų14965.8 Ų65.880%0.79733%0.33SS*.THydrogen-bonded Turntrans50.642.3-178.1-59.6-32.2000114.1Q49D47-Q49 PolarHBondContact O-N 3.46Å
48C90.7Very high92.8Very high115 Ų11561.9 Ų61.978%0.77731%0.312SS*.THydrogen-bonded Turntrans62.518.4-175.8-510000114.5E45 V46E45-C48 WeakPolarHBondContact OE1-CA 3.4Å; V46-C48 VanDerWaalsContact C-N 3.26Å; V46-C48 PolarHBondContact O-N 3.48Å
49Q93Very high92.5Very high125 Ų12558.7 Ų58.758%0.58430%0.297SS*.EExtended strand (participates in β ladder)trans-115.8131.3176.2-60.4-165.4-17.700111.3E45 V46 D47 C51E45-Q49 WeakPolarHBondContact CA-O 3.24Å; V46-Q49 PolarHBondContact N-O 3.47Å; V46-Q49 WeakPolarHBondContact O-CA 3.43Å; V46-Q49 WeakPolarHBondContact O-CB 3.27Å; V46-Q49 PolarHBondContact O-N 3.12Å; D47-Q49 PolarHBondContact O-N 3.46Å; Q49-C51 PolarHBondContact O-N 3.37Å
50Q94.3Very high91.4Very high114 Ų11456.2 Ų56.253%0.53328%0.282SS..EExtended strand (participates in β ladder)trans-77122174.8-68.8-170.4-11.500111.5M1 Q43 V44M1-Q50 WeakPolarHBondContact CG-O 3.49Å; Q43-Q50 VanDerWaalsContact NE2-OE1 3.13Å; V44-Q50 WeakPolarHBondContact O-CA 3.41Å
51C95.1Very high89.8Confident7 Ų755.8 Ų55.85%0.04728%0.283CS..EExtended strand (participates in β ladder)trans-125.8146.9-177.5-62.20000109.9R2 Y4 Q43 V44 Q49R2-C51 WeakPolarHBondContact O-CA 3.41Å; Y4-C51 HydrophobicContact CD2-CB 4.02Å; Y4-C51 HydrophobicContact CE2-CB 3.94Å; Q43-C51 WeakPolarHBondContact CA-O 3.35Å; V44-C51 HydrophobicContact CG2-CB 4.42Å; V44-C51 PolarHBondContact N-O 2.97Å; V44-C51 PolarHBondContact O-N 2.95Å; Q49-C51 PolarHBondContact O-N 3.37Å
52M96Very high88.2Confident38 Ų3857.5 Ų57.519%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-100.7118.3169.4-176.364.767.900108.1M1 R2 E3 Y4 R41 Q43M1-M52 HydrophobicContact CG-CB 4.47Å; M1-M52 HydrophobicContact SD-CB 4.24Å; M1-M52 HydrophobicContact SD-CE 4.11Å; R2-M52 PolarHBondContact O-N 2.94Å; E3-M52 CarbonylContact C-O 3.56Å; E3-M52 VanDerWaalsContact CA-O 3.31Å; E3-M52 WeakPolarHBondContact CA-O 3.35Å; Y4-M52 PolarHBondContact N-O 3.31Å; R41-M52 HydrophobicContact CB-SD 4.15Å; Q43-M52 HydrophobicContact CB-CE 4.11Å; Q43-M52 HydrophobicContact CB-SD 4.44Å
53L96.4Very high86.3Confident7 Ų759.1 Ų59.14%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-92.1126.2171.2-59.3-177.3000108.8Y4 L6 F23 R41 K42 V44 I55 F158Y4-L53 HydrophobicContact CD2-CD2 4.42Å; Y4-L53 HydrophobicContact CG-CD2 4.39Å; L6-L53 HydrophobicContact CD1-CD1 4.24Å; L6-L53 HydrophobicContact CD1-CD2 4.07Å; F23-L53 HydrophobicContact CE1-CD1 3.85Å; F23-L53 HydrophobicContact CZ-CD1 3.77Å; R41-L53 CarbonylContact C-O 3.46Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.21Å; K42-L53 PolarHBondContact N-O 2.92Å; K42-L53 PolarHBondContact O-N 3.3Å; V44-L53 HydrophobicContact CG1-CD1 4.2Å; V44-L53 HydrophobicContact CG2-CD1 3.69Å; V44-L53 HydrophobicContact CG2-CD2 4.38Å; V44-L53 HydrophobicContact CG2-CG 3.71Å; L53-I55 HydrophobicContact CB-CG1 4.33Å; L53-F158 HydrophobicContact CD1-CB 4.17Å
54E96.2Very high84.6Confident51 Ų5161.3 Ų61.324%0.23831%0.314CS..EExtended strand (participates in β ladder)trans-104.1109.6165.4-175.9-176.1-176.700107.1Y4 K5 L6 Y40 R41Y4-E54 PolarHBondContact O-N 3.22Å; K5-E54 CarbonylContact C-O 3.56Å; K5-E54 WeakPolarHBondContact CA-O 3.44Å; K5-E54 VanDerWaalsContact CE-OE2 3.24Å; K5-E54 WeakPolarHBondContact CE-OE2 3.35Å; K5-E54 HydrophobicContact CG-CB 4.48Å; K5-E54 IonicContact NZ-OE2 3.46Å; L6-E54 PolarHBondContact N-O 3.14Å; Y40-E54 CarbonylContact O-C 3.59Å; Y40-E54 WeakPolarHBondContact O-CA 3.38Å; R41-E54 HydrophobicContact CG-CB 4.44Å; R41-E54 HydrophobicContact CG-CG 4.31Å
55I96.1Very high83.1Confident0 Ų065.9 Ų65.90%034%0.342CS..EExtended strand (participates in β ladder)trans-106.6115.7-176.5-56.7169.3000108.4L6 V8 T20 F23 V24 Y40 L53 F158L6-I55 HydrophobicContact CB-CG1 4.33Å; L6-I55 HydrophobicContact CD1-CG1 4.47Å; L6-I55 WeakPolarHBondContact O-CA 3.11Å; V8-I55 HydrophobicContact CG2-CG2 3.7Å; T20-I55 HydrophobicContact CG2-CB 4.22Å; T20-I55 HydrophobicContact CG2-CG2 3.67Å; F23-I55 HydrophobicContact CD1-CD1 3.43Å; F23-I55 VanDerWaalsContact CD1-CD1 3.43Å; F23-I55 HydrophobicContact CE1-CD1 3.56Å; V24-I55 HydrophobicContact CG2-CD1 4.31Å; Y40-I55 PolarHBondContact N-O 2.75Å; Y40-I55 PolarHBondContact O-N 3.35Å; L53-I55 HydrophobicContact CB-CG1 4.33Å; I55-F158 HydrophobicContact CD1-CD1 3.85Å; I55-F158 HydrophobicContact CD1-CE1 3.98Å; I55-F158 HydrophobicContact CD1-CG 4.26Å; I55-F158 HydrophobicContact CD1-CZ 4.5Å; I55-F158 HydrophobicContact CG1-CD1 4.32Å; I55-F158 HydrophobicContact CG1-CE1 4.4Å; I55-F158 HydrophobicContact CG2-CE1 3.99Å
56L94Very high81.8Confident27 Ų2763.9 Ų63.914%0.14135%0.347CS..EExtended strand (participates in β ladder)trans-90.7113.4173.1-16970.1000109.7L6 V7 V8 E37 T58 Y71L6-L56 PolarHBondContact O-N 2.98Å; V7-L56 HydrophobicContact CG1-CB 4.4Å; V7-L56 HydrophobicContact CG1-CD2 4.28Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V8-L56 PolarHBondContact N-O 2.92Å; E37-L56 HydrophobicContact CG-CD1 3.64Å; E37-L56 HydrophobicContact CG-CG 4.28Å; L56-T58 HydrophobicContact CD2-CG2 4.29Å; L56-T58 HydrophobicContact CG-CG2 4.3Å; L56-Y71 HydrophobicContact CD2-CD1 4.2Å; L56-Y71 HydrophobicContact CD2-CG 4.04Å
57D90.1Very high80.9Confident0 Ų067.1 Ų67.10%036%0.361CS..EExtended strand (participates in β ladder)trans-90.1116.8169.7-176.338.4000109.4K16 S17 T20 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.26Å; K16-D57 WeakPolarHBondContact CB-OD1 3.06Å; S17-D57 WeakPolarHBondContact CA-OD2 3.47Å; S17-D57 WeakPolarHBondContact CB-OD2 3.22Å; S17-D57 PolarHBondContact N-OD1 2.89Å; S17-D57 PolarHBondContact OG-OD1 2.82Å; S17-D57 PolarHBondContact OG-OD2 3.12Å; T20-D57 HydrophobicContact CG2-CB 4.47Å; E37-D57 WeakPolarHBondContact CA-O 3.26Å; D38-D57 PolarHBondContact N-O 3.25Å; D38-D57 PolarHBondContact O-N 2.95Å; Y40-D57 HydrophobicContact CD2-CB 4.38Å; Y40-D57 HydrophobicContact CE2-CB 4Å
58T85Confident80.2Confident5 Ų561 Ų613%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-98.7157-175.875.90000111.9V7 V8 L9 K16 L56 Y71V7-T58 HydrophobicContact CG1-CG2 3.9Å; V8-T58 PolarHBondContact O-OG1 2.86Å; L9-T58 HydrophobicContact CD2-CG2 3.63Å; K16-T58 WeakPolarHBondContact CE-O 3.32Å; L56-T58 HydrophobicContact CD2-CG2 4.29Å; L56-T58 HydrophobicContact CG-CG2 4.3Å; T58-Y71 HydrophobicContact CG2-CD1 4.13Å; T58-Y71 HydrophobicContact CG2-CE1 3.92Å; T58-Y71 HydrophobicContact CG2-CE2 4.42Å; T58-Y71 HydrophobicContact CG2-CG 4.44Å
59A78.5Confident79.9Confident12 Ų1260.2 Ų60.210%0.09932%0.315CS..PPolyproline II helixtrans-53.7162.816100000112.2T35 I36 Q63T35-A59 WeakPolarHBondContact O-CA 3.38Å; T35-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 VanDerWaalsContact O-CB 3.29Å; I36-A59 WeakPolarHBondContact O-CB 3.32Å; I36-A59 PolarHBondContact O-N 2.54Å; I36-A59 VanDerWaalsContact O-N 3.11Å; A59-Q63 HydrophobicContact CB-CB 4.11Å
60G66.4Low79.5Confident13 Ų1359.5 Ų59.513%0.13432%0.315CS..PPolyproline II helixtrans-57.3157.9169.100000112.9E62 Q63G60-E62 PolarHBondContact O-N 3.43Å; G60-Q63 PolarHBondContact O-N 2.97Å
61T60.4Low79.2Confident33 Ų3355 Ų5520%0.20229%0.293CS..THydrogen-bonded Turntrans-565.3-179.641.20000116.6S11 R68 L96S11-T61 WeakPolarHBondContact CA-OG1 3.45Å; S11-T61 PolarHBondContact OG-OG1 3.24Å; T61-R68 PolarHBondContact O-NH1 3.32Å; T61-R68 PolarHBondContact O-NH2 3.29Å; T61-L96 HydrophobicContact CG2-CD1 4.22Å; T61-L96 HydrophobicContact CG2-CD2 4.49Å
62E60.3Low78.9Confident184 Ų18454.7 Ų54.786%0.8629%0.291SS*.THydrogen-bonded Turntrans-103.9-8.8178.6-62.6-173.6160.200114.1G60G60-E62 PolarHBondContact O-N 3.43Å
63Q55.5Low78.7Confident90 Ų9059.8 Ų59.842%0.42131%0.312SS..SBendtrans-113.1125.5-172.7-61.7176.22.500110.6A59 G60 R68A59-Q63 HydrophobicContact CB-CB 4.11Å; G60-Q63 PolarHBondContact O-N 2.97Å; Q63-R68 PolarHBondContact O-NH2 3.4Å
64F57.9Low78.5Confident142 Ų14263.6 Ų63.662%0.62333%0.333SS*.  trans5694.3168.5-53.8-79.1000118.7A66 R68F64-A66 PolarHBondContact O-N 2.93Å; F64-R68 WeakPolarHBondContact O-CG 3.47Å
65T62.7Low78.4Confident114 Ų11461.3 Ų61.370%0.69932%0.322SS*.Hα-helixtrans-61.7-39175.437.10000114.4M67 R68T65-M67 PolarHBondContact O-N 2.66Å; T65-R68 WeakPolarHBondContact O-CB 2.87Å; T65-R68 PolarHBondContact O-N 3.11Å; T65-R68 VanDerWaalsContact O-N 3.14Å
66A66.6Low78.4Confident83 Ų8365.9 Ų65.969%0.68634%0.344SS*.Hα-helixtrans-67.5-30.4-174.600000114.4F64 R68F64-A66 PolarHBondContact O-N 2.93Å; A66-R68 VanDerWaalsContact C-N 3.29Å
67M72.3Confident78.5Confident100 Ų10065 Ų6549%0.49334%0.341SS..Hα-helixtrans-75.8-22.7176.4-64.9-172.1-179.100111.7T65 L70 Y71T65-M67 PolarHBondContact O-N 2.66Å; M67-L70 WeakPolarHBondContact O-CB 3.08Å; M67-L70 PolarHBondContact O-N 2.9Å; M67-Y71 WeakPolarHBondContact O-CD1 3.26Å; M67-Y71 PolarHBondContact O-N 2.9Å
68R77.1Confident78.8Confident22 Ų2265.2 Ų65.28%0.08334%0.342CS..Hα-helixtrans-64.1-47.3-178.4-52.4-149.3172.9144.414.8113.7T61 Q63 F64 T65 A66 L70 Y71 M72T61-R68 PolarHBondContact O-NH1 3.32Å; T61-R68 PolarHBondContact O-NH2 3.29Å; Q63-R68 PolarHBondContact O-NH2 3.4Å; F64-R68 WeakPolarHBondContact O-CG 3.47Å; T65-R68 WeakPolarHBondContact O-CB 2.87Å; T65-R68 PolarHBondContact O-N 3.11Å; T65-R68 VanDerWaalsContact O-N 3.14Å; A66-R68 VanDerWaalsContact C-N 3.29Å; R68-L70 PolarHBondContact O-N 3.19Å; R68-Y71 VanDerWaalsContact CA-CE1 3.46Å; R68-Y71 HydrophobicContact CB-CE1 4.26Å; R68-Y71 HydrophobicContact CB-CE2 4.01Å; R68-Y71 WeakPolarHBondContact CD-OH 3.17Å; R68-Y71 HydrophobicContact CG-CE1 4.19Å; R68-Y71 HydrophobicContact CG-CE2 4.43Å; R68-Y71 WeakPolarHBondContact CG-OH 3.37Å; R68-Y71 PolarHBondContact NE-OH 3.18Å; R68-Y71 VanDerWaalsContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CD2 3.43Å; R68-Y71 WeakPolarHBondContact O-CE2 3.46Å; R68-Y71 PolarHBondContact O-N 2.76Å; R68-M72 HydrophobicContact CB-CE 4.32Å; R68-M72 WeakPolarHBondContact O-CB 3.42Å; R68-M72 VanDerWaalsContact O-CG 3.25Å; R68-M72 WeakPolarHBondContact O-CG 2.97Å; R68-M72 PolarHBondContact O-N 3.23Å
69D83.5Confident79.4Confident98 Ų9865.3 Ų65.352%0.52434%0.343SS..Hα-helixtrans-59.6-33.1-179.9-66.5-7.4000110.5K73D69-K73 WeakPolarHBondContact O-CB 3.29Å; D69-K73 PolarHBondContact O-N 3.38Å
70L85.3Confident80.2Confident109 Ų10964.7 Ų64.757%0.57134%0.338SS*.Hα-helixtrans-68.7-51-179.9-172.166.5000112.2M67 R68 K73 N74M67-L70 WeakPolarHBondContact O-CB 3.08Å; M67-L70 PolarHBondContact O-N 2.9Å; R68-L70 PolarHBondContact O-N 3.19Å; L70-K73 PolarHBondContact O-N 3.36Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.35Å; L70-N74 WeakPolarHBondContact O-CB 3.21Å; L70-N74 VanDerWaalsContact O-CG 3.29Å; L70-N74 PolarHBondContact O-N 2.92Å; L70-N74 PolarHBondContact O-ND2 2.93Å
71Y87.3Confident81.7Confident20 Ų2064.1 Ų64.18%0.07833%0.332CS..Hα-helixtrans-73.4-30.3179.558-119.9000112.7V7 L9 L56 T58 M67 R68 G75V7-Y71 HydrophobicContact CG1-CD2 3.96Å; V7-Y71 HydrophobicContact CG1-CG 4.32Å; L9-Y71 HydrophobicContact CD1-CE2 4.27Å; L9-Y71 HydrophobicContact CD2-CD2 3.99Å; L9-Y71 HydrophobicContact CD2-CE2 3.34Å; L9-Y71 HydrophobicContact CG-CE2 4.44Å; L56-Y71 HydrophobicContact CD2-CD1 4.2Å; L56-Y71 HydrophobicContact CD2-CG 4.04Å; T58-Y71 HydrophobicContact CG2-CD1 4.13Å; T58-Y71 HydrophobicContact CG2-CE1 3.92Å; T58-Y71 HydrophobicContact CG2-CE2 4.42Å; T58-Y71 HydrophobicContact CG2-CG 4.44Å; M67-Y71 WeakPolarHBondContact O-CD1 3.26Å; M67-Y71 PolarHBondContact O-N 2.9Å; R68-Y71 VanDerWaalsContact CA-CE1 3.46Å; R68-Y71 HydrophobicContact CB-CE1 4.26Å; R68-Y71 HydrophobicContact CB-CE2 4.01Å; R68-Y71 WeakPolarHBondContact CD-OH 3.17Å; R68-Y71 HydrophobicContact CG-CE1 4.19Å; R68-Y71 HydrophobicContact CG-CE2 4.43Å; R68-Y71 WeakPolarHBondContact CG-OH 3.37Å; R68-Y71 PolarHBondContact NE-OH 3.18Å; R68-Y71 VanDerWaalsContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CD2 3.43Å; R68-Y71 WeakPolarHBondContact O-CE2 3.46Å; R68-Y71 PolarHBondContact O-N 2.76Å; Y71-G75 WeakPolarHBondContact O-CA 3.27Å; Y71-G75 PolarHBondContact O-N 3.33Å
72M90Very high83.5Confident1 Ų162.6 Ų62.61%0.00532%0.323CS..Hα-helixtrans-67.1-39.7172.1-70.4-179.6-177.500110.8L9 R68 F78 L96 Q99 I100 V103 K104L9-M72 HydrophobicContact CD1-CE 4.39Å; R68-M72 HydrophobicContact CB-CE 4.32Å; R68-M72 WeakPolarHBondContact O-CB 3.42Å; R68-M72 VanDerWaalsContact O-CG 3.25Å; R68-M72 WeakPolarHBondContact O-CG 2.97Å; R68-M72 PolarHBondContact O-N 3.23Å; M72-F78 WeakPolarHBondContact O-CZ 3.24Å; M72-L96 HydrophobicContact CE-CD1 3.67Å; M72-Q99 HydrophobicContact CE-CB 3.97Å; M72-Q99 HydrophobicContact SD-CB 3.98Å; M72-I100 HydrophobicContact CE-CG1 4.06Å; M72-I100 HydrophobicContact CG-CG1 4.03Å; M72-I100 HydrophobicContact SD-CG1 4.02Å; M72-V103 HydrophobicContact CB-CB 4.05Å; M72-V103 HydrophobicContact CB-CG1 3.82Å; M72-V103 HydrophobicContact CB-CG2 4.35Å; M72-V103 HydrophobicContact SD-CG2 4.27Å; M72-K104 WeakPolarHBondContact O-CE 3.25Å; M72-K104 PolarHBondContact O-NZ 3.14Å
73K91.5Very high85.3Confident144 Ų14454 Ų5463%0.62628%0.283SS*.Hα-helixtrans-66.9-43.6175.9-174.9173.9-177.4175.40112D69 L70 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.29Å; D69-K73 PolarHBondContact O-N 3.38Å; L70-K73 PolarHBondContact O-N 3.36Å; K73-V103 HydrophobicContact CB-CG1 3.9Å; K73-K104 PolarHBondContact O-NZ 2.8Å
74N91.7Very high87.3Confident88 Ų8849.7 Ų49.747%0.47126%0.263SS..Hα-helixtrans-88.2-23.9-172.9-66.2-26.9000114.6L70L70-N74 WeakPolarHBondContact CD1-ND2 3.35Å; L70-N74 WeakPolarHBondContact O-CB 3.21Å; L70-N74 VanDerWaalsContact O-CG 3.29Å; L70-N74 PolarHBondContact O-N 2.92Å; L70-N74 PolarHBondContact O-ND2 2.93Å
75G94.2Very high89.2Confident2 Ų244.6 Ų44.62%0.02124%0.243CC..  trans-66.4135.8-179.500000112.3Y71 F78 K104Y71-G75 WeakPolarHBondContact O-CA 3.27Å; Y71-G75 PolarHBondContact O-N 3.33Å; G75-F78 WeakPolarHBondContact O-CZ 3.31Å; G75-K104 WeakPolarHBondContact O-CE 3.12Å; G75-K104 PolarHBondContact O-NZ 3.36Å
76Q96.1Very high90.9Very high97 Ų9740.5 Ų40.545%0.45322%0.221SC..SBendtrans-94.5-25.3179.3-66.8173.1-60.400112.6K5 P110K5-Q76 HydrophobicContact CB-CG 4.34Å; K5-Q76 WeakPolarHBondContact O-CA 3.44Å; K5-Q76 PolarHBondContact O-N 2.56Å; Q76-P110 WeakPolarHBondContact O-CG 3.3Å
77G96Very high92.3Very high8 Ų839.4 Ų39.48%0.08220%0.202CC..EExtended strand (participates in β ladder)trans-144.5149.9172.800000111.4K5 L6 V7 P110K5-G77 PolarHBondContact O-N 2.96Å; L6-G77 WeakPolarHBondContact CA-O 3.5Å; V7-G77 PolarHBondContact N-O 3.14Å; G77-P110 WeakPolarHBondContact CA-O 3.04Å
78F96.3Very high93.4Very high4 Ų438 Ų382%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-126.4128.7-174.7-55.7-91.9000111.7V7 L9 M72 G75 L80 I100 V109 P110 M111 I112V7-F78 HydrophobicContact CB-CD1 3.81Å; V7-F78 HydrophobicContact CB-CE1 3.98Å; V7-F78 HydrophobicContact CG1-CD1 4.43Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 4.03Å; V7-F78 WeakPolarHBondContact O-CA 3.48Å; L9-F78 HydrophobicContact CD1-CD1 3.77Å; L9-F78 HydrophobicContact CD1-CE1 4.42Å; M72-F78 WeakPolarHBondContact O-CZ 3.24Å; G75-F78 WeakPolarHBondContact O-CZ 3.31Å; F78-L80 HydrophobicContact CB-CD1 4.03Å; F78-I100 HydrophobicContact CB-CD1 4.2Å; F78-I100 HydrophobicContact CD1-CD1 4.08Å; F78-I100 HydrophobicContact CD1-CG1 4.39Å; F78-I100 HydrophobicContact CD2-CG2 3.91Å; F78-I100 HydrophobicContact CE1-CG2 4.49Å; F78-I100 HydrophobicContact CE2-CG2 3.85Å; F78-I100 HydrophobicContact CG-CD1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.28Å; F78-I100 HydrophobicContact CZ-CG2 4.15Å; F78-V109 HydrophobicContact CD2-CG1 3.55Å; F78-V109 HydrophobicContact CE2-CG1 3.55Å; F78-P110 PolarHBondContact N-O 3.01Å; F78-M111 HydrophobicContact CB-CG 4.13Å; F78-M111 HydrophobicContact CD2-CG 4.36Å; F78-M111 CarbonylContact O-C 3.55Å; F78-M111 VanDerWaalsContact O-CA 3.29Å; F78-M111 WeakPolarHBondContact O-CA 3.47Å; F78-I112 PolarHBondContact O-N 3.38Å
79A97.4Very high94.4Very high7 Ų737.5 Ų37.56%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-100.7111.1168.300000108.9V7 V8 L9 I112 I157V7-A79 PolarHBondContact O-N 3.42Å; V8-A79 HydrophobicContact CG1-CB 4.48Å; L9-A79 PolarHBondContact N-O 2.83Å; A79-I112 HydrophobicContact CB-CG2 3.86Å; A79-I157 HydrophobicContact CB-CG2 4Å
80L96.8Very high95Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-92.8107.2177.5-7487.6000109F78 L93 L96 R97 I100 M111 I112 V114 W138F78-L80 HydrophobicContact CB-CD1 4.03Å; L80-L93 HydrophobicContact CB-CD1 4.23Å; L80-L93 HydrophobicContact CB-CD2 4.2Å; L80-L93 HydrophobicContact CD2-CB 4.4Å; L80-L96 HydrophobicContact CD2-CD2 4.14Å; L80-L96 HydrophobicContact CD2-CG 4.38Å; L80-L96 HydrophobicContact CG-CD2 4.3Å; L80-R97 HydrophobicContact CD2-CB 4.06Å; L80-I100 HydrophobicContact CD1-CD1 4.15Å; L80-I100 HydrophobicContact CD2-CD1 4.42Å; L80-I100 HydrophobicContact CG-CD1 4.47Å; L80-M111 HydrophobicContact CD1-CB 4.3Å; L80-M111 HydrophobicContact CD1-CG 4.26Å; L80-M111 HydrophobicContact CD1-SD 4Å; L80-I112 PolarHBondContact N-O 2.94Å; L80-V114 PolarHBondContact O-N 3.33Å; L80-W138 HydrophobicContact CD2-CH2 4.04Å; L80-W138 HydrophobicContact CD2-CZ3 4.07Å
81V97.6Very high95.5Very high1 Ų132.7 Ų32.71%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-106.1127.8-170.7-170.10000110.9V8 L9 G10 V14 K16 L19 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.62Å; L9-V81 PolarHBondContact O-N 3.33Å; G10-V81 WeakPolarHBondContact CA-O 3.25Å; V14-V81 HydrophobicContact CB-CG1 4.36Å; V14-V81 HydrophobicContact CG2-CB 4.09Å; V14-V81 HydrophobicContact CG2-CG1 3.94Å; K16-V81 HydrophobicContact CG-CB 4.32Å; L19-V81 HydrophobicContact CD1-CG1 3.88Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; V81-V114 WeakPolarHBondContact CA-O 3.37Å; V81-V114 HydrophobicContact CG1-CG1 4.44Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.8Å
82Y98Very high95.8Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-121.6165.6167.869.5-83000111.1I84 T89 F90 L93 L113 V114 N116 V126 F143Y82-I84 HydrophobicContact CE2-CG2 4.03Å; Y82-T89 WeakPolarHBondContact CB-O 3.25Å; Y82-F90 AromaticContact CD1-CD2 3.8Å; Y82-F90 HydrophobicContact CD1-CD2 3.8Å; Y82-F90 HydrophobicContact CD1-CE2 4.49Å; Y82-F90 HydrophobicContact CD2-CB 3.85Å; Y82-F90 AromaticContact CD2-CD2 3.76Å; Y82-F90 HydrophobicContact CD2-CD2 3.76Å; Y82-F90 HydrophobicContact CD2-CG 4.27Å; Y82-F90 AromaticContact CE1-CD2 3.7Å; Y82-F90 HydrophobicContact CE1-CD2 3.7Å; Y82-F90 HydrophobicContact CE1-CE2 4.02Å; Y82-F90 HydrophobicContact CE2-CB 4.42Å; Y82-F90 AromaticContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CE2 4.4Å; Y82-F90 HydrophobicContact CE2-CG 4.43Å; Y82-F90 HydrophobicContact CG-CB 4.1Å; Y82-F90 AromaticContact CG-CD2 3.82Å; Y82-F90 HydrophobicContact CG-CD2 3.82Å; Y82-F90 HydrophobicContact CG-CG 4.48Å; Y82-F90 AromaticContact CZ-CD2 3.65Å; Y82-F90 AromaticContact CZ-CE2 3.97Å; Y82-L93 HydrophobicContact CD1-CD1 3.64Å; Y82-L93 HydrophobicContact CG-CD1 4.11Å; Y82-L113 HydrophobicContact CD1-CD1 3.89Å; Y82-L113 HydrophobicContact CE1-CD1 3.9Å; Y82-L113 HydrophobicContact CE1-CG 4.09Å; Y82-V114 WeakPolarHBondContact CD1-O 3.42Å; Y82-V114 PolarHBondContact N-O 3.08Å; Y82-N116 PolarHBondContact O-N 3.12Å; Y82-V126 HydrophobicContact CD2-CG1 4.44Å; Y82-V126 HydrophobicContact CD2-CG2 4.35Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.62Å; Y82-V126 HydrophobicContact CE2-CG2 4.2Å; Y82-F143 HydrophobicContact CE1-CE2 4.31Å
83S97.8Very high96Very high3 Ų334.7 Ų34.72%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-97127.7172.7-168.80000109.4T85 A86 T89 K117S83-T85 PolarHBondContact O-N 3.36Å; S83-T85 PolarHBondContact OG-OG1 3.36Å; S83-A86 PolarHBondContact O-N 2.86Å; S83-A86 VanDerWaalsContact O-N 3.09Å; S83-T89 PolarHBondContact N-OG1 3.35Å; S83-T89 PolarHBondContact O-OG1 2.96Å; S83-K117 WeakPolarHBondContact OG-CD 3.36Å; S83-K117 WeakPolarHBondContact OG-CE 3.36Å
84I98.3Very high96.1Very high0 Ų032.8 Ų32.80%018%0.181CC..THydrogen-bonded Turntrans-63-17.2176.464.7154.1000113.1Y82 N116 K117 R124 V125 V126Y82-I84 HydrophobicContact CE2-CG2 4.03Å; I84-N116 PolarHBondContact N-O 3.42Å; I84-K117 WeakPolarHBondContact CD1-O 3.17Å; I84-K117 WeakPolarHBondContact CG1-O 3.29Å; I84-R124 HydrophobicContact CD1-CB 4.14Å; I84-R124 HydrophobicContact CD1-CG 4.16Å; I84-V125 WeakPolarHBondContact O-CG2 3.28Å; I84-V125 PolarHBondContact O-N 3.36Å; I84-V126 PolarHBondContact O-N 3.38Å
85T97.7Very high96.1Very high35 Ų3533.4 Ų33.422%0.21518%0.184CC..THydrogen-bonded Turntrans-88.9-3.3179.366.10000114S83 L120 E123 V125S83-T85 PolarHBondContact O-N 3.36Å; S83-T85 PolarHBondContact OG-OG1 3.36Å; T85-L120 HydrophobicContact CG2-CB 3.76Å; T85-L120 HydrophobicContact CG2-CD1 3.92Å; T85-E123 WeakPolarHBondContact CA-O 3.47Å; T85-E123 HydrophobicContact CG2-CB 3.72Å; T85-V125 VanDerWaalsContact C-CG2 3.41Å
86A96.6Very high96Very high29 Ų2933.5 Ų33.524%0.2418%0.184CC..  trans-140103.6-178.300000112.1S83 S88 T89S83-A86 PolarHBondContact O-N 2.86Å; S83-A86 VanDerWaalsContact O-N 3.09Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 2.86Å; A86-T89 HydrophobicContact CB-CG2 3.8Å; A86-T89 PolarHBondContact O-N 2.92Å; A86-T89 VanDerWaalsContact O-N 3.14Å; A86-T89 PolarHBondContact O-OG1 2.86Å
87Q97Very high95.9Very high60 Ų6030.7 Ų30.728%0.2817%0.169SC..Hα-helixtrans-59-35.7-177.8-174.366.751.400113.2T89 F90 N91 V125Q87-T89 VanDerWaalsContact C-N 3.28Å; Q87-T89 PolarHBondContact O-N 3.18Å; Q87-F90 WeakPolarHBondContact O-CB 3.45Å; Q87-F90 PolarHBondContact O-N 3.17Å; Q87-F90 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact NE2-OD1 2.94Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.08Å; Q87-N91 PolarHBondContact O-N 3.22Å; Q87-N91 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact O-OD1 3.45Å; Q87-V125 HydrophobicContact CB-CG2 4.12Å
88S96.3Very high95.8Very high70 Ų7035.4 Ų35.449%0.4919%0.189SC..Hα-helixtrans-56.5-44.7177.250.10000111.6A86 F90 N91 D92A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 2.86Å; S88-F90 PolarHBondContact O-N 3.16Å; S88-N91 PolarHBondContact O-N 3.09Å; S88-N91 VanDerWaalsContact O-N 3.07Å; S88-D92 PolarHBondContact O-N 3.34Å
89T96.3Very high95.5Very high11 Ų1139.2 Ų39.27%0.06721%0.207CC..Hα-helixtrans-64.4-24.7-178.571.90000113.5V14 Y82 S83 A86 Q87 L93V14-T89 HydrophobicContact CG1-CG2 3.74Å; Y82-T89 WeakPolarHBondContact CB-O 3.25Å; S83-T89 PolarHBondContact N-OG1 3.35Å; S83-T89 PolarHBondContact O-OG1 2.96Å; A86-T89 HydrophobicContact CB-CG2 3.8Å; A86-T89 PolarHBondContact O-N 2.92Å; A86-T89 VanDerWaalsContact O-N 3.14Å; A86-T89 PolarHBondContact O-OG1 2.86Å; Q87-T89 VanDerWaalsContact C-N 3.28Å; Q87-T89 PolarHBondContact O-N 3.18Å; T89-L93 WeakPolarHBondContact O-CG 3.46Å
90F97.4Very high95.3Very high18 Ų1838.9 Ų38.98%0.07920%0.204CC..Hα-helixtrans-77.7-43.1173.8176.9-102.7000111.5Y82 Q87 S88 D92 L93 V126 Q130 L134Y82-F90 AromaticContact CD1-CD2 3.8Å; Y82-F90 HydrophobicContact CD1-CD2 3.8Å; Y82-F90 HydrophobicContact CD1-CE2 4.49Å; Y82-F90 HydrophobicContact CD2-CB 3.85Å; Y82-F90 AromaticContact CD2-CD2 3.76Å; Y82-F90 HydrophobicContact CD2-CD2 3.76Å; Y82-F90 HydrophobicContact CD2-CG 4.27Å; Y82-F90 AromaticContact CE1-CD2 3.7Å; Y82-F90 HydrophobicContact CE1-CD2 3.7Å; Y82-F90 HydrophobicContact CE1-CE2 4.02Å; Y82-F90 HydrophobicContact CE2-CB 4.42Å; Y82-F90 AromaticContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CE2 4.4Å; Y82-F90 HydrophobicContact CE2-CG 4.43Å; Y82-F90 HydrophobicContact CG-CB 4.1Å; Y82-F90 AromaticContact CG-CD2 3.82Å; Y82-F90 HydrophobicContact CG-CD2 3.82Å; Y82-F90 HydrophobicContact CG-CG 4.48Å; Y82-F90 AromaticContact CZ-CD2 3.65Å; Y82-F90 AromaticContact CZ-CE2 3.97Å; Q87-F90 WeakPolarHBondContact O-CB 3.45Å; Q87-F90 PolarHBondContact O-N 3.17Å; Q87-F90 VanDerWaalsContact O-N 3.16Å; S88-F90 PolarHBondContact O-N 3.16Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 2.94Å; F90-L93 WeakPolarHBondContact O-CB 3.12Å; F90-L93 PolarHBondContact O-N 2.78Å; F90-V126 HydrophobicContact CB-CG1 4.42Å; F90-V126 HydrophobicContact CB-CG2 3.92Å; F90-V126 HydrophobicContact CD1-CG1 4.33Å; F90-V126 HydrophobicContact CD2-CG1 3.93Å; F90-V126 HydrophobicContact CE2-CG1 4.2Å; F90-V126 HydrophobicContact CG-CG1 3.98Å; F90-V126 HydrophobicContact CG-CG2 4.34Å; F90-V126 HydrophobicContact CZ-CG1 4.49Å; F90-Q130 HydrophobicContact CZ-CB 4.28Å; F90-L134 HydrophobicContact CD2-CD2 4.27Å; F90-L134 HydrophobicContact CE1-CD2 4.1Å; F90-L134 HydrophobicContact CE2-CB 4.31Å; F90-L134 HydrophobicContact CE2-CD2 3.49Å; F90-L134 VanDerWaalsContact CE2-CD2 3.49Å; F90-L134 HydrophobicContact CZ-CB 3.8Å; F90-L134 HydrophobicContact CZ-CD2 3.41Å; F90-L134 VanDerWaalsContact CZ-CD2 3.41Å; F90-L134 HydrophobicContact CZ-CG 4.19Å
91N95.5Very high95.2Very high89 Ų8940.5 Ų40.548%0.47621%0.213SC..Hα-helixtrans-64.9-38.4179.5-61-11.1000111.5Q87 S88 L93 Q94Q87-N91 PolarHBondContact NE2-OD1 2.94Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.08Å; Q87-N91 PolarHBondContact O-N 3.22Å; Q87-N91 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact O-OD1 3.45Å; S88-N91 PolarHBondContact O-N 3.09Å; S88-N91 VanDerWaalsContact O-N 3.07Å; N91-L93 PolarHBondContact O-N 2.9Å; N91-L93 VanDerWaalsContact O-N 3.11Å; N91-Q94 PolarHBondContact O-N 2.88Å
92D93.4Very high95Very high62 Ų6250.6 Ų50.633%0.33225%0.251SS..Hα-helixtrans-59.7-22.3178.8-63.1-17.3000113.3S11 S88 F90 Q94 L96S11-D92 WeakPolarHBondContact OG-CB 3.47Å; S11-D92 PolarHBondContact OG-OD2 3.21Å; S88-D92 PolarHBondContact O-N 3.34Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 2.94Å; D92-Q94 VanDerWaalsContact C-N 3.28Å; D92-Q94 PolarHBondContact O-N 3.23Å; D92-L96 PolarHBondContact O-N 3.31Å
93L94.4Very high94.7Very high1 Ų152.9 Ų52.91%0.00526%0.264CS..Hα-helixtrans-71.1-22.9-176.7-62.8-174000113.4L80 Y82 T89 F90 N91 L96 R97 L113 W138L80-L93 HydrophobicContact CB-CD1 4.23Å; L80-L93 HydrophobicContact CB-CD2 4.2Å; L80-L93 HydrophobicContact CD2-CB 4.4Å; Y82-L93 HydrophobicContact CD1-CD1 3.64Å; Y82-L93 HydrophobicContact CG-CD1 4.11Å; T89-L93 WeakPolarHBondContact O-CG 3.46Å; F90-L93 WeakPolarHBondContact O-CB 3.12Å; F90-L93 PolarHBondContact O-N 2.78Å; N91-L93 PolarHBondContact O-N 2.9Å; N91-L93 VanDerWaalsContact O-N 3.11Å; L93-L96 HydrophobicContact CD2-CD2 4.01Å; L93-L96 PolarHBondContact O-N 3.38Å; L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 2.66Å; L93-L113 HydrophobicContact CD1-CD1 3.35Å; L93-W138 HydrophobicContact CB-CH2 3.95Å
94Q94Very high94.5Very high103 Ų10355.4 Ų55.448%0.48128%0.275SS..Hα-helixtrans-64.4-51.5177.6-179.1169-7.700110.7N91 D92 L96 R97 E98N91-Q94 PolarHBondContact O-N 2.88Å; D92-Q94 VanDerWaalsContact C-N 3.28Å; D92-Q94 PolarHBondContact O-N 3.23Å; Q94-L96 PolarHBondContact O-N 2.96Å; Q94-R97 PolarHBondContact O-N 3.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.39Å; Q94-E98 WeakPolarHBondContact O-CG 3.46Å; Q94-E98 PolarHBondContact O-N 3.28Å
95D92.1Very high94.3Very high101 Ų10162.8 Ų62.854%0.5431%0.314SS..Hα-helixtrans-60-39.5177.2-66.7-12.7000111.1E98 Q99D95-E98 PolarHBondContact O-N 3.02Å; D95-Q99 VanDerWaalsContact O-CG 3.3Å; D95-Q99 WeakPolarHBondContact O-CG 3.29Å; D95-Q99 PolarHBondContact O-N 2.77Å
96L91.5Very high94Very high4 Ų464.2 Ų64.22%0.02132%0.323CS..Hα-helixtrans-64.2-42.4178.3-173.967.4000112.1L9 T61 M72 L80 D92 L93 Q94 Q99 I100L9-L96 HydrophobicContact CB-CD1 4.44Å; L9-L96 HydrophobicContact CB-CD2 3.52Å; L9-L96 HydrophobicContact CB-CG 4.35Å; L9-L96 HydrophobicContact CD1-CD1 4.3Å; L9-L96 HydrophobicContact CD1-CD2 4.46Å; L9-L96 HydrophobicContact CD1-CG 4.46Å; T61-L96 HydrophobicContact CG2-CD1 4.22Å; T61-L96 HydrophobicContact CG2-CD2 4.49Å; M72-L96 HydrophobicContact CE-CD1 3.67Å; L80-L96 HydrophobicContact CD2-CD2 4.14Å; L80-L96 HydrophobicContact CD2-CG 4.38Å; L80-L96 HydrophobicContact CG-CD2 4.3Å; D92-L96 PolarHBondContact O-N 3.31Å; L93-L96 HydrophobicContact CD2-CD2 4.01Å; L93-L96 PolarHBondContact O-N 3.38Å; Q94-L96 PolarHBondContact O-N 2.96Å; L96-Q99 PolarHBondContact O-N 2.83Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 3.47Å; L96-I100 VanDerWaalsContact O-N 3.12Å
97R93.9Very high93.5Very high38 Ų3870.7 Ų70.714%0.14335%0.349CS..Hα-helixtrans-62.1-48.1174.8176.6177.4179.4-125.5-1.3111L80 L93 Q94 Q99 I100 L101 M111 W138L80-R97 HydrophobicContact CD2-CB 4.06Å; L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 2.66Å; Q94-R97 PolarHBondContact O-N 3.47Å; R97-Q99 PolarHBondContact O-N 3.07Å; R97-I100 WeakPolarHBondContact O-CB 3.1Å; R97-I100 PolarHBondContact O-N 2.91Å; R97-I100 VanDerWaalsContact O-N 3.08Å; R97-L101 HydrophobicContact CG-CD1 4.18Å; R97-L101 HydrophobicContact CG-CG 4.32Å; R97-L101 WeakPolarHBondContact O-CG 3.33Å; R97-L101 PolarHBondContact O-N 3.07Å; R97-M111 HydrophobicContact CG-CE 4.15Å; R97-M111 HydrophobicContact CG-SD 4.3Å; R97-W138 HydrophobicContact CB-CH2 4.24Å; R97-W138 HydrophobicContact CB-CZ2 4.22Å
98E93.1Very high93.2Very high108 Ų10874.5 Ų74.551%0.50537%0.371SS..Hα-helixtrans-59.1-38.1-180-70.9179.2-167.600111.8Q94 D95 L101 R102Q94-E98 PolarHBondContact NE2-OE1 3.39Å; Q94-E98 WeakPolarHBondContact O-CG 3.46Å; Q94-E98 PolarHBondContact O-N 3.28Å; D95-E98 PolarHBondContact O-N 3.02Å; E98-L101 PolarHBondContact O-N 2.91Å; E98-R102 VanDerWaalsContact O-CB 3.28Å; E98-R102 WeakPolarHBondContact O-CB 3.37Å; E98-R102 PolarHBondContact O-N 3.25Å
99Q91.1Very high93.1Very high84 Ų8471.8 Ų71.839%0.39335%0.351SS..Hα-helixtrans-62.5-45.1172.9-72.9174.8200112.6M72 D95 L96 R97 R102 V103M72-Q99 HydrophobicContact CE-CB 3.97Å; M72-Q99 HydrophobicContact SD-CB 3.98Å; D95-Q99 VanDerWaalsContact O-CG 3.3Å; D95-Q99 WeakPolarHBondContact O-CG 3.29Å; D95-Q99 PolarHBondContact O-N 2.77Å; L96-Q99 PolarHBondContact O-N 2.83Å; R97-Q99 PolarHBondContact O-N 3.07Å; Q99-R102 PolarHBondContact O-N 3.03Å; Q99-V103 WeakPolarHBondContact O-CG2 3.21Å; Q99-V103 PolarHBondContact O-N 2.82Å
100I93.1Very high93Very high0 Ų075.2 Ų75.20%037%0.374CS..Hα-helixtrans-59.4-50.3177.6-65.8162.2000110.2L9 M72 F78 L80 L96 R97 R102 V103 K104 V109 M111L9-I100 HydrophobicContact CD1-CD1 3.76Å; L9-I100 HydrophobicContact CD1-CG1 4.2Å; M72-I100 HydrophobicContact CE-CG1 4.06Å; M72-I100 HydrophobicContact CG-CG1 4.03Å; M72-I100 HydrophobicContact SD-CG1 4.02Å; F78-I100 HydrophobicContact CB-CD1 4.2Å; F78-I100 HydrophobicContact CD1-CD1 4.08Å; F78-I100 HydrophobicContact CD1-CG1 4.39Å; F78-I100 HydrophobicContact CD2-CG2 3.91Å; F78-I100 HydrophobicContact CE1-CG2 4.49Å; F78-I100 HydrophobicContact CE2-CG2 3.85Å; F78-I100 HydrophobicContact CG-CD1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.28Å; F78-I100 HydrophobicContact CZ-CG2 4.15Å; L80-I100 HydrophobicContact CD1-CD1 4.15Å; L80-I100 HydrophobicContact CD2-CD1 4.42Å; L80-I100 HydrophobicContact CG-CD1 4.47Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 3.47Å; L96-I100 VanDerWaalsContact O-N 3.12Å; R97-I100 WeakPolarHBondContact O-CB 3.1Å; R97-I100 PolarHBondContact O-N 2.91Å; R97-I100 VanDerWaalsContact O-N 3.08Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.82Å; I100-V103 PolarHBondContact O-N 2.83Å; I100-K104 HydrophobicContact CG2-CG 4.18Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.48Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.34Å; I100-K104 PolarHBondContact O-N 3.33Å; I100-V109 HydrophobicContact CG2-CG1 3.99Å; I100-M111 HydrophobicContact CD1-SD 4.38Å; I100-M111 HydrophobicContact CG2-SD 4.35Å
101L93.8Very high93Very high34 Ų3475.7 Ų75.718%0.17838%0.377CS..Hα-helixtrans-60.8-41.8-179.4-62.3-177.5000111.3R97 E98 K104 D105 T106 V109 M111R97-L101 HydrophobicContact CG-CD1 4.18Å; R97-L101 HydrophobicContact CG-CG 4.32Å; R97-L101 WeakPolarHBondContact O-CG 3.33Å; R97-L101 PolarHBondContact O-N 3.07Å; E98-L101 PolarHBondContact O-N 2.91Å; L101-K104 PolarHBondContact O-N 2.94Å; L101-D105 PolarHBondContact O-N 2.94Å; L101-T106 WeakPolarHBondContact CD2-O 3.33Å; L101-V109 HydrophobicContact CD2-CB 4.26Å; L101-V109 HydrophobicContact CD2-CG2 3.85Å; L101-M111 HydrophobicContact CD2-CE 3.86Å
102R93.3Very high93.1Very high213 Ų21372.5 Ų72.580%0.80436%0.359SS*.Hα-helixtrans-62.6-42.7176.4-178.6-177.8174.5-168.9-2.3112.8E98 Q99 I100E98-R102 VanDerWaalsContact O-CB 3.28Å; E98-R102 WeakPolarHBondContact O-CB 3.37Å; E98-R102 PolarHBondContact O-N 3.25Å; Q99-R102 PolarHBondContact O-N 3.03Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.82Å
103V92.4Very high93.3Very high47 Ų4769.5 Ų69.529%0.28534%0.344SS..Hα-helixtrans-72.7-33.7179.5172.50000111.3M72 K73 Q99 I100M72-V103 HydrophobicContact CB-CB 4.05Å; M72-V103 HydrophobicContact CB-CG1 3.82Å; M72-V103 HydrophobicContact CB-CG2 4.35Å; M72-V103 HydrophobicContact SD-CG2 4.27Å; K73-V103 HydrophobicContact CB-CG1 3.9Å; Q99-V103 WeakPolarHBondContact O-CG2 3.21Å; Q99-V103 PolarHBondContact O-N 2.82Å; I100-V103 PolarHBondContact O-N 2.83Å
104K92.8Very high93.5Very high57 Ų5769.5 Ų69.525%0.24834%0.343CS..Hα-helixtrans-78.3-21.6178.4-73.7-59-159.9-173.30114.1M72 K73 G75 I100 L101 T106 V109M72-K104 WeakPolarHBondContact O-CE 3.25Å; M72-K104 PolarHBondContact O-NZ 3.14Å; K73-K104 PolarHBondContact O-NZ 2.8Å; G75-K104 WeakPolarHBondContact O-CE 3.12Å; G75-K104 PolarHBondContact O-NZ 3.36Å; I100-K104 HydrophobicContact CG2-CG 4.18Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.48Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.34Å; I100-K104 PolarHBondContact O-N 3.33Å; L101-K104 PolarHBondContact O-N 2.94Å; K104-T106 HydrophobicContact CB-CG2 3.97Å; K104-T106 PolarHBondContact O-N 2.8Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.32Å; K104-V109 HydrophobicContact CG-CG2 3.81Å
105D93.9Very high93.7Very high154 Ų15464.6 Ų64.682%0.82432%0.32SS*.THydrogen-bonded Turntrans55.635.4-176.5-159.534.7000112.4L101L101-D105 PolarHBondContact O-N 2.94Å
106T91.7Very high94Very high65 Ų6559.9 Ų59.940%0.39930%0.295SS..  trans-156.6149.9176.9-1800000110.3L101 K104 D108 V109L101-T106 WeakPolarHBondContact CD2-O 3.33Å; K104-T106 HydrophobicContact CB-CG2 3.97Å; K104-T106 PolarHBondContact O-N 2.8Å; T106-D108 PolarHBondContact OG1-N 3.09Å; T106-D108 VanDerWaalsContact OG1-N 3.16Å; T106-V109 HydrophobicContact CG2-CG2 3.81Å
107E86.7Confident94.2Very high165 Ų16562.4 Ų62.477%0.77131%0.306SS*.SBendtrans-84.4-20.2172.6-63-171.9167.800112.5V109E107-V109 PolarHBondContact O-N 2.67Å
108D90.1Very high94.4Very high140 Ų14061.3 Ų61.375%0.74930%0.304SS*.  trans-89.974.8-179.1-170.423.7000110.7T106T106-D108 PolarHBondContact OG1-N 3.09Å; T106-D108 VanDerWaalsContact OG1-N 3.16Å
109V94.2Very high94.6Very high13 Ų1358.7 Ų58.78%0.07929%0.294CS..  trans-114125.3177.1-1760000109F78 I100 L101 K104 T106 E107 M111F78-V109 HydrophobicContact CD2-CG1 3.55Å; F78-V109 HydrophobicContact CE2-CG1 3.55Å; I100-V109 HydrophobicContact CG2-CG1 3.99Å; L101-V109 HydrophobicContact CD2-CB 4.26Å; L101-V109 HydrophobicContact CD2-CG2 3.85Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.32Å; K104-V109 HydrophobicContact CG-CG2 3.81Å; T106-V109 HydrophobicContact CG2-CG2 3.81Å; E107-V109 PolarHBondContact O-N 2.67Å; V109-M111 HydrophobicContact CB-CE 4.24Å; V109-M111 HydrophobicContact CB-CG 4.35Å; V109-M111 HydrophobicContact CG1-CG 4.07Å; V109-M111 WeakPolarHBondContact O-CG 3.29Å; V109-M111 PolarHBondContact O-N 3.41Å; V109-M111 VanDerWaalsContact O-N 3.09Å
110P95.4Very high94.8Very high84 Ų8457 Ų5755%0.54529%0.287SS..  trans-59.8114.7175.1-24.734.8000111.1Q76 G77 F78Q76-P110 WeakPolarHBondContact O-CG 3.3Å; G77-P110 WeakPolarHBondContact CA-O 3.04Å; F78-P110 PolarHBondContact N-O 3.01Å
111M95.9Very high95Very high28 Ų2861.9 Ų61.914%0.13831%0.31CS..EExtended strand (participates in β ladder)trans-140.7149.4-176.5-66.6-170.2-75.300111.4F78 L80 R97 I100 L101 V109 C141F78-M111 HydrophobicContact CB-CG 4.13Å; F78-M111 HydrophobicContact CD2-CG 4.36Å; F78-M111 CarbonylContact O-C 3.55Å; F78-M111 VanDerWaalsContact O-CA 3.29Å; F78-M111 WeakPolarHBondContact O-CA 3.47Å; L80-M111 HydrophobicContact CD1-CB 4.3Å; L80-M111 HydrophobicContact CD1-CG 4.26Å; L80-M111 HydrophobicContact CD1-SD 4Å; R97-M111 HydrophobicContact CG-CE 4.15Å; R97-M111 HydrophobicContact CG-SD 4.3Å; I100-M111 HydrophobicContact CD1-SD 4.38Å; I100-M111 HydrophobicContact CG2-SD 4.35Å; L101-M111 HydrophobicContact CD2-CE 3.86Å; V109-M111 HydrophobicContact CB-CE 4.24Å; V109-M111 HydrophobicContact CB-CG 4.35Å; V109-M111 HydrophobicContact CG1-CG 4.07Å; V109-M111 WeakPolarHBondContact O-CG 3.29Å; V109-M111 PolarHBondContact O-N 3.41Å; V109-M111 VanDerWaalsContact O-N 3.09Å; M111-C141 PolarHBondContact O-SG 3.19Å; M111-C141 VanDerWaalsContact O-SG 3.33Å
112I97.6Very high95.1Very high21 Ų2168.8 Ų68.811%0.10835%0.347CS..EExtended strand (participates in β ladder)trans-132.4133.6169.3-173.5169.3000110F78 A79 L80 V114 A142 L144 I157F78-I112 PolarHBondContact O-N 3.38Å; A79-I112 HydrophobicContact CB-CG2 3.86Å; L80-I112 PolarHBondContact N-O 2.94Å; I112-V114 HydrophobicContact CG1-CG2 4.15Å; I112-V114 HydrophobicContact CG2-CG2 4.11Å; I112-A142 HydrophobicContact CB-CB 4.11Å; I112-A142 HydrophobicContact CD1-CB 4.16Å; I112-A142 HydrophobicContact CG1-CB 3.79Å; I112-L144 HydrophobicContact CD1-CD1 3.8Å; I112-L144 HydrophobicContact CD1-CG 4.16Å; I112-I157 HydrophobicContact CG2-CG2 4.23Å
113L98.1Very high95.3Very high0 Ų064.2 Ų64.20%034%0.335CS..EExtended strand (participates in β ladder)trans-89.7127.3171.1178.664.1000109.6Y82 L93 G131 L134 A135 W138 A142 F143 L144Y82-L113 HydrophobicContact CD1-CD1 3.89Å; Y82-L113 HydrophobicContact CE1-CD1 3.9Å; Y82-L113 HydrophobicContact CE1-CG 4.09Å; L93-L113 HydrophobicContact CD1-CD1 3.35Å; L113-G131 WeakPolarHBondContact CD2-O 3.45Å; L113-L134 HydrophobicContact CD2-CB 4.19Å; L113-L134 HydrophobicContact CD2-CD2 3.99Å; L113-L134 HydrophobicContact CD2-CG 4.26Å; L113-A135 HydrophobicContact CD2-CB 4.25Å; L113-W138 HydrophobicContact CB-CZ3 4.3Å; L113-W138 HydrophobicContact CD1-CH2 4.22Å; L113-W138 HydrophobicContact CD1-CZ3 3.95Å; L113-W138 HydrophobicContact CD2-CZ3 4.5Å; L113-W138 HydrophobicContact CG-CZ3 4.47Å; L113-A142 PolarHBondContact N-O 3.36Å; L113-F143 HydrophobicContact CB-CD2 4.07Å; L113-F143 HydrophobicContact CD2-CD2 3.79Å; L113-F143 HydrophobicContact CD2-CE2 4.27Å; L113-F143 HydrophobicContact CG-CD2 3.79Å; L113-F143 HydrophobicContact CG-CE2 4.3Å; L113-F143 WeakPolarHBondContact O-CA 3.3Å; L113-F143 WeakPolarHBondContact O-CD2 3.33Å; L113-L144 PolarHBondContact O-N 3.11Å; L113-L144 VanDerWaalsContact O-N 3.07Å
114V98.4Very high95.6Very high0 Ų064.6 Ų64.60%033%0.331CS..EExtended strand (participates in β ladder)trans-125.8113.3-173.5-175.60000110.9L19 L80 V81 Y82 I112 N116 L144 S146 I157L19-V114 HydrophobicContact CD1-CG1 4.18Å; L80-V114 PolarHBondContact O-N 3.33Å; V81-V114 WeakPolarHBondContact CA-O 3.37Å; V81-V114 HydrophobicContact CG1-CG1 4.44Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; Y82-V114 WeakPolarHBondContact CD1-O 3.42Å; Y82-V114 PolarHBondContact N-O 3.08Å; I112-V114 HydrophobicContact CG1-CG2 4.15Å; I112-V114 HydrophobicContact CG2-CG2 4.11Å; V114-N116 PolarHBondContact O-N 3.32Å; V114-L144 WeakPolarHBondContact CA-O 3.47Å; V114-S146 WeakPolarHBondContact CG1-OG 3.46Å; V114-I157 HydrophobicContact CG1-CD1 3.62Å; V114-I157 HydrophobicContact CG1-CG1 4.25Å; V114-I157 HydrophobicContact CG2-CD1 4.13Å; V114-I157 HydrophobicContact CG2-CG1 3.95Å; V114-I157 HydrophobicContact CG2-CG2 4.12Å
115G98.4Very high95.8Very high0 Ų065.4 Ų65.40%034%0.341CS..EExtended strand (participates in β ladder)trans-88.995.7169.800000111L144 E145 S146G115-L144 PolarHBondContact N-O 3.13Å; G115-E145 CarbonylContact O-C 3.54Å; G115-E145 WeakPolarHBondContact O-CA 3.4Å; G115-S146 PolarHBondContact O-N 3.23Å
116N98.1Very high96Very high3 Ų358.1 Ų58.12%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-84.5165.2-177.2-167.928.7000112.3V14 L19 V81 Y82 I84 V114 S146 A148V14-N116 PolarHBondContact O-ND2 3.02Å; L19-N116 HydrophobicContact CD1-CB 4.23Å; V81-N116 HydrophobicContact CG1-CB 3.8Å; Y82-N116 PolarHBondContact O-N 3.12Å; I84-N116 PolarHBondContact N-O 3.42Å; V114-N116 PolarHBondContact O-N 3.32Å; N116-S146 CarbonylContact C-O 3.59Å; N116-S146 VanDerWaalsContact CA-O 3.29Å; N116-S146 WeakPolarHBondContact CA-O 3.42Å; N116-S146 PolarHBondContact OD1-O 2.73Å; N116-S146 PolarHBondContact OD1-OG 2.97Å; N116-A148 PolarHBondContact OD1-N 3.18Å
117K97.1Very high96.3Very high57 Ų5756.1 Ų56.125%0.24829%0.294CS..  trans67.935.3-177.7-44.7-171.1-165.7172.10113.6G13 S83 I84 D119 L120 S146G13-K117 WeakPolarHBondContact O-CE 3.33Å; G13-K117 PolarHBondContact O-NZ 3.5Å; S83-K117 WeakPolarHBondContact OG-CD 3.36Å; S83-K117 WeakPolarHBondContact OG-CE 3.36Å; I84-K117 WeakPolarHBondContact CD1-O 3.17Å; I84-K117 WeakPolarHBondContact CG1-O 3.29Å; K117-D119 WeakPolarHBondContact CA-OD1 3.35Å; K117-D119 PolarHBondContact O-N 3.39Å; K117-D119 VanDerWaalsContact O-N 3.07Å; K117-L120 HydrophobicContact CB-CD1 4.11Å; K117-L120 HydrophobicContact CB-CG 4.38Å; K117-L120 HydrophobicContact CD-CD1 4.12Å; K117-L120 PolarHBondContact O-N 3.03Å; K117-S146 PolarHBondContact N-O 3.21Å
118C97.4Very high96.8Very high15 Ų1553.5 Ų53.510%0.10128%0.28CS..THydrogen-bonded Turntrans-64.1-8.6176.370.80000114.3L120 E145 S146C118-L120 VanDerWaalsContact C-N 3.26Å; C118-E145 HydrophobicContact CB-CB 4.06Å; C118-S146 PolarHBondContact N-O 3.31Å; C118-S146 PolarHBondContact SG-O 3.43Å
119D97.1Very high97.1Very high53 Ų5353.1 Ų53.128%0.28327%0.274SS..THydrogen-bonded Turntrans-71.3-18.3168.357.2-69.7000113.8K117 E121 S147 S150K117-D119 WeakPolarHBondContact CA-OD1 3.35Å; K117-D119 PolarHBondContact O-N 3.39Å; K117-D119 VanDerWaalsContact O-N 3.07Å; D119-E121 PolarHBondContact O-N 3.35Å; D119-S147 VanDerWaalsContact OD1-CB 3.25Å; D119-S147 WeakPolarHBondContact OD1-CB 3.37Å; D119-S147 PolarHBondContact OD1-OG 3.03Å; D119-S150 WeakPolarHBondContact CB-OG 3.42Å
120L95.9Very high97.2Very high49 Ų4956.4 Ų56.426%0.25729%0.288SS..  trans-96.254.7179.6-57.4179.7000111.6T85 K117 C118 D122 E123 R124T85-L120 HydrophobicContact CG2-CB 3.76Å; T85-L120 HydrophobicContact CG2-CD1 3.92Å; K117-L120 HydrophobicContact CB-CD1 4.11Å; K117-L120 HydrophobicContact CB-CG 4.38Å; K117-L120 HydrophobicContact CD-CD1 4.12Å; K117-L120 PolarHBondContact O-N 3.03Å; C118-L120 VanDerWaalsContact C-N 3.26Å; L120-D122 VanDerWaalsContact C-N 3.28Å; L120-D122 PolarHBondContact O-N 2.99Å; L120-E123 HydrophobicContact CB-CB 4.34Å; L120-E123 PolarHBondContact O-N 2.81Å; L120-E123 VanDerWaalsContact O-N 3.12Å; L120-R124 PolarHBondContact O-N 3.36Å
121E96.1Very high97.2Very high102 Ų10252.4 Ų52.448%0.47726%0.262SS..G310 helixtrans-59.9-36.5-178.7-77.1-62.8162.800113.2D119 E123 R124D119-E121 PolarHBondContact O-N 3.35Å; E121-E123 PolarHBondContact O-N 3.33Å; E121-R124 VanDerWaalsContact O-CB 3.23Å; E121-R124 WeakPolarHBondContact O-CB 3.35Å; E121-R124 PolarHBondContact O-N 3.12Å; E121-R124 VanDerWaalsContact O-N 3.13Å; E121-R124 IonicContact OE1-CZ 3.8Å; E121-R124 IonicContact OE1-NE 2.73Å; E121-R124 PolarHBondContact OE1-NE 2.96Å; E121-R124 IonicContact OE1-NH2 3.48Å; E121-R124 PolarHBondContact OE1-NH2 2.71Å; E121-R124 IonicContact OE2-CZ 3.49Å; E121-R124 IonicContact OE2-NE 2.71Å; E121-R124 PolarHBondContact OE2-NE 2.85Å; E121-R124 IonicContact OE2-NH2 2.7Å
122D97.2Very high97.3Very high178 Ų17854.6 Ų54.695%0.95227%0.272SS*.G310 helixtrans-66.5-20.8179-64-36.3000112.9L120L120-D122 VanDerWaalsContact C-N 3.28Å; L120-D122 PolarHBondContact O-N 2.99Å
123E97Very high97.2Very high117 Ų11756.1 Ų56.155%0.54728%0.28SS..G310 helixtrans-104.17.8178.6-63179.3-14000112.3T85 L120 E121 V125T85-E123 WeakPolarHBondContact CA-O 3.47Å; T85-E123 HydrophobicContact CG2-CB 3.72Å; L120-E123 HydrophobicContact CB-CB 4.34Å; L120-E123 PolarHBondContact O-N 2.81Å; L120-E123 VanDerWaalsContact O-N 3.12Å; E121-E123 PolarHBondContact O-N 3.33Å; E123-V125 PolarHBondContact O-N 2.7Å
124R98.2Very high97.1Very high56 Ų5656.9 Ų56.921%0.21128%0.284CS..  trans-64.5127.7-175.8-179.5-179-75.3-90.811.1111.3I84 L120 E121 V126 E145I84-R124 HydrophobicContact CD1-CB 4.14Å; I84-R124 HydrophobicContact CD1-CG 4.16Å; L120-R124 PolarHBondContact O-N 3.36Å; E121-R124 VanDerWaalsContact O-CB 3.23Å; E121-R124 WeakPolarHBondContact O-CB 3.35Å; E121-R124 PolarHBondContact O-N 3.12Å; E121-R124 VanDerWaalsContact O-N 3.13Å; E121-R124 IonicContact OE1-CZ 3.8Å; E121-R124 IonicContact OE1-NE 2.73Å; E121-R124 PolarHBondContact OE1-NE 2.96Å; E121-R124 IonicContact OE1-NH2 3.48Å; E121-R124 PolarHBondContact OE1-NH2 2.71Å; E121-R124 IonicContact OE2-CZ 3.49Å; E121-R124 IonicContact OE2-NE 2.71Å; E121-R124 PolarHBondContact OE2-NE 2.85Å; E121-R124 IonicContact OE2-NH2 2.7Å; R124-V126 VanDerWaalsContact CG-O 3.28Å; R124-V126 WeakPolarHBondContact CG-O 3.35Å; R124-V126 PolarHBondContact NH1-O 3.35Å; R124-E145 IonicContact CZ-OE1 3.73Å; R124-E145 IonicContact CZ-OE2 3.56Å; R124-E145 IonicContact NH1-OE1 3.72Å; R124-E145 PolarHBondContact NH1-OE1 2.86Å; R124-E145 IonicContact NH1-OE2 3.35Å; R124-E145 IonicContact NH2-OE1 2.85Å; R124-E145 PolarHBondContact NH2-OE1 3.46Å; R124-E145 IonicContact NH2-OE2 3.55Å; R124-E145 PolarHBondContact NH2-OE2 3.07Å
125V98Very high96.9Very high74 Ų7457 Ų5745%0.44829%0.286SS..  trans-117.8-27.8170.6-55.20000112.5I84 T85 Q87 E123I84-V125 WeakPolarHBondContact O-CG2 3.28Å; I84-V125 PolarHBondContact O-N 3.36Å; T85-V125 VanDerWaalsContact C-CG2 3.41Å; Q87-V125 HydrophobicContact CB-CG2 4.12Å; E123-V125 PolarHBondContact O-N 2.7Å
126V97.9Very high96.7Very high0 Ų064.2 Ų64.20%031%0.313CS..SBendtrans-95.9113.8173.7-172.40000109.1Y82 I84 F90 R124 Q130Y82-V126 HydrophobicContact CD2-CG1 4.44Å; Y82-V126 HydrophobicContact CD2-CG2 4.35Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.62Å; Y82-V126 HydrophobicContact CE2-CG2 4.2Å; I84-V126 PolarHBondContact O-N 3.38Å; F90-V126 HydrophobicContact CB-CG1 4.42Å; F90-V126 HydrophobicContact CB-CG2 3.92Å; F90-V126 HydrophobicContact CD1-CG1 4.33Å; F90-V126 HydrophobicContact CD2-CG1 3.93Å; F90-V126 HydrophobicContact CE2-CG1 4.2Å; F90-V126 HydrophobicContact CG-CG1 3.98Å; F90-V126 HydrophobicContact CG-CG2 4.34Å; F90-V126 HydrophobicContact CZ-CG1 4.49Å; R124-V126 VanDerWaalsContact CG-O 3.28Å; R124-V126 WeakPolarHBondContact CG-O 3.35Å; R124-V126 PolarHBondContact NH1-O 3.35Å; V126-Q130 HydrophobicContact CG1-CB 4.22Å
127G97.4Very high96.5Very high23 Ų2370.8 Ų70.824%0.23734%0.344CS..  trans-70.2145.8176.800000111.9E129 Q130 G131G127-E129 PolarHBondContact O-N 3.15Å; G127-Q130 VanDerWaalsContact N-NE2 3.1Å; G127-Q130 VanDerWaalsContact O-CB 3.3Å; G127-Q130 WeakPolarHBondContact O-CB 3.47Å; G127-Q130 PolarHBondContact O-N 3.47Å; G127-G131 PolarHBondContact O-N 2.96Å
128K96.4Very high96.3Very high110 Ų11068.7 Ų68.748%0.47833%0.334SS..Hα-helixtrans-55.6-37.2176.9-172.9171.9-175.7171.20112.9Q130 G131 Q132 F143 E145K128-Q130 VanDerWaalsContact C-N 3.29Å; K128-Q130 PolarHBondContact O-N 3.02Å; K128-G131 PolarHBondContact O-N 3.35Å; K128-Q132 WeakPolarHBondContact O-CG 3.45Å; K128-Q132 PolarHBondContact O-N 3.38Å; K128-F143 HydrophobicContact CG-CE1 4.15Å; K128-E145 WeakPolarHBondContact CA-OE1 3.39Å; K128-E145 WeakPolarHBondContact CB-OE1 3.44Å; K128-E145 HydrophobicContact CG-CG 4.38Å
129E97.1Very high95.8Very high133 Ų13372.9 Ų72.962%0.62136%0.362SS*.Hα-helixtrans-63.1-35176.2-164.4-170.6162.500112.2G127 Q132 N133G127-E129 PolarHBondContact O-N 3.15Å; E129-Q132 PolarHBondContact O-N 3.44Å; E129-N133 WeakPolarHBondContact O-CB 3.37Å; E129-N133 PolarHBondContact O-N 3.32Å; E129-N133 PolarHBondContact O-ND2 3.4Å
130Q96.8Very high95.2Very high81 Ų8176.7 Ų76.738%0.37938%0.382SS..Hα-helixtrans-63.3-45.7176.6-59.8-178.252.600110.7F90 V126 G127 K128 N133 L134F90-Q130 HydrophobicContact CZ-CB 4.28Å; V126-Q130 HydrophobicContact CG1-CB 4.22Å; G127-Q130 VanDerWaalsContact N-NE2 3.1Å; G127-Q130 VanDerWaalsContact O-CB 3.3Å; G127-Q130 WeakPolarHBondContact O-CB 3.47Å; G127-Q130 PolarHBondContact O-N 3.47Å; K128-Q130 VanDerWaalsContact C-N 3.29Å; K128-Q130 PolarHBondContact O-N 3.02Å; Q130-N133 PolarHBondContact O-N 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.21Å; Q130-L134 PolarHBondContact O-N 3.33Å
131G96.1Very high95.1Very high0 Ų075.4 Ų75.40%038%0.378CS..Hα-helixtrans-61.8-43.9175.400000112.7L113 G127 K128 N133 L134 A135L113-G131 WeakPolarHBondContact CD2-O 3.45Å; G127-G131 PolarHBondContact O-N 2.96Å; K128-G131 PolarHBondContact O-N 3.35Å; G131-N133 PolarHBondContact O-N 3.25Å; G131-L134 PolarHBondContact O-N 2.85Å; G131-A135 WeakPolarHBondContact O-CB 3.26Å; G131-A135 PolarHBondContact O-N 2.73Å
132Q96.3Very high95.1Very high74 Ų7473 Ų7335%0.34638%0.375SS..Hα-helixtrans-61.9-42.5175.5-71.4175.8-1500112.7K128 E129 A135 R136 F143K128-Q132 WeakPolarHBondContact O-CG 3.45Å; K128-Q132 PolarHBondContact O-N 3.38Å; E129-Q132 PolarHBondContact O-N 3.44Å; Q132-A135 PolarHBondContact O-N 3.14Å; Q132-R136 WeakPolarHBondContact O-CG 3.34Å; Q132-R136 PolarHBondContact O-N 3.17Å; Q132-F143 HydrophobicContact CB-CD1 4.43Å; Q132-F143 HydrophobicContact CG-CD1 3.54Å; Q132-F143 HydrophobicContact CG-CE1 3.55Å
133N96.9Very high95.1Very high54 Ų5466.3 Ų66.329%0.28934%0.338SS..Hα-helixtrans-67.2-40.3179.1-73.4-23.2000111.5E129 Q130 G131 R136 Q137E129-N133 WeakPolarHBondContact O-CB 3.37Å; E129-N133 PolarHBondContact O-N 3.32Å; E129-N133 PolarHBondContact O-ND2 3.4Å; Q130-N133 PolarHBondContact O-N 3.32Å; G131-N133 PolarHBondContact O-N 3.25Å; N133-R136 PolarHBondContact O-N 3.36Å; N133-R136 PolarHBondContact OD1-NH1 3.18Å; N133-Q137 WeakPolarHBondContact O-CG 3.48Å; N133-Q137 PolarHBondContact O-N 3.01Å
134L95.3Very high95.1Very high15 Ų1563 Ų638%0.07932%0.324CS..Hα-helixtrans-62.2-44.4174-17465.1000111.3F90 L113 Q130 G131 R136 Q137 W138F90-L134 HydrophobicContact CD2-CD2 4.27Å; F90-L134 HydrophobicContact CE1-CD2 4.1Å; F90-L134 HydrophobicContact CE2-CB 4.31Å; F90-L134 HydrophobicContact CE2-CD2 3.49Å; F90-L134 VanDerWaalsContact CE2-CD2 3.49Å; F90-L134 HydrophobicContact CZ-CB 3.8Å; F90-L134 HydrophobicContact CZ-CD2 3.41Å; F90-L134 VanDerWaalsContact CZ-CD2 3.41Å; F90-L134 HydrophobicContact CZ-CG 4.19Å; L113-L134 HydrophobicContact CD2-CB 4.19Å; L113-L134 HydrophobicContact CD2-CD2 3.99Å; L113-L134 HydrophobicContact CD2-CG 4.26Å; Q130-L134 WeakPolarHBondContact O-CB 3.21Å; Q130-L134 PolarHBondContact O-N 3.33Å; G131-L134 PolarHBondContact O-N 2.85Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.47Å; L134-Q137 WeakPolarHBondContact O-CB 3.4Å; L134-Q137 PolarHBondContact O-N 3.16Å; L134-Q137 VanDerWaalsContact O-N 3.15Å; L134-W138 HydrophobicContact CD1-CZ2 3.91Å; L134-W138 HydrophobicContact CD2-CH2 3.97Å; L134-W138 HydrophobicContact CD2-CZ2 3.66Å; L134-W138 HydrophobicContact CG-CD2 4.19Å; L134-W138 HydrophobicContact CG-CH2 4.36Å; L134-W138 HydrophobicContact CG-CZ2 3.77Å; L134-W138 VanDerWaalsContact O-CD1 3.25Å; L134-W138 VanDerWaalsContact O-CG 3.26Å; L134-W138 PolarHBondContact O-N 3.27Å
135A95.1Very high95.1Very high4 Ų461 Ų613%0.03332%0.317CS..Hα-helixtrans-61.4-38.7177.400000113L113 G131 Q132 W138 N140 C141 F143L113-A135 HydrophobicContact CD2-CB 4.25Å; G131-A135 WeakPolarHBondContact O-CB 3.26Å; G131-A135 PolarHBondContact O-N 2.73Å; Q132-A135 PolarHBondContact O-N 3.14Å; A135-W138 CarbonylContact O-C 3.35Å; A135-W138 PolarHBondContact O-N 3.09Å; A135-W138 VanDerWaalsContact O-N 3.15Å; A135-N140 WeakPolarHBondContact O-CA 3.28Å; A135-N140 PolarHBondContact O-N 3.03Å; A135-C141 HydrophobicContact CB-CB 4.46Å; A135-C141 PolarHBondContact O-N 3.39Å; A135-F143 HydrophobicContact CB-CB 3.65Å; A135-F143 HydrophobicContact CB-CG 4.35Å
136R94.4Very high95.1Very high151 Ų15157.5 Ų57.557%0.5730%0.295SS*.Hα-helixtrans-62.6-43.7172.6-73.2173-175.7160-1112.2Q132 N133 L134 W138 C139 N140Q132-R136 WeakPolarHBondContact O-CG 3.34Å; Q132-R136 PolarHBondContact O-N 3.17Å; N133-R136 PolarHBondContact O-N 3.36Å; N133-R136 PolarHBondContact OD1-NH1 3.18Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.47Å; R136-W138 PolarHBondContact O-N 2.98Å; R136-C139 PolarHBondContact O-N 3.29Å; R136-N140 PolarHBondContact O-N 3.29Å
137Q93.5Very high95.1Very high141 Ų14157.5 Ų57.566%0.65930%0.295SS*.Hα-helixtrans-61.1-27.6175.1-69.6171.12.900111.8N133 L134 C139N133-Q137 WeakPolarHBondContact O-CG 3.48Å; N133-Q137 PolarHBondContact O-N 3.01Å; L134-Q137 WeakPolarHBondContact O-CB 3.4Å; L134-Q137 PolarHBondContact O-N 3.16Å; L134-Q137 VanDerWaalsContact O-N 3.15Å; Q137-C139 PolarHBondContact O-N 3.07Å; Q137-C139 VanDerWaalsContact O-N 3.17Å
138W92.1Very high95Very high13 Ų1356.5 Ų56.55%0.04929%0.285CS..THydrogen-bonded Turntrans-87.338.7178.5-64.55.6000113.1L80 L93 R97 L113 L134 A135 R136 C141L80-W138 HydrophobicContact CD2-CH2 4.04Å; L80-W138 HydrophobicContact CD2-CZ3 4.07Å; L93-W138 HydrophobicContact CB-CH2 3.95Å; R97-W138 HydrophobicContact CB-CH2 4.24Å; R97-W138 HydrophobicContact CB-CZ2 4.22Å; L113-W138 HydrophobicContact CB-CZ3 4.3Å; L113-W138 HydrophobicContact CD1-CH2 4.22Å; L113-W138 HydrophobicContact CD1-CZ3 3.95Å; L113-W138 HydrophobicContact CD2-CZ3 4.5Å; L113-W138 HydrophobicContact CG-CZ3 4.47Å; L134-W138 HydrophobicContact CD1-CZ2 3.91Å; L134-W138 HydrophobicContact CD2-CH2 3.97Å; L134-W138 HydrophobicContact CD2-CZ2 3.66Å; L134-W138 HydrophobicContact CG-CD2 4.19Å; L134-W138 HydrophobicContact CG-CH2 4.36Å; L134-W138 HydrophobicContact CG-CZ2 3.77Å; L134-W138 VanDerWaalsContact O-CD1 3.25Å; L134-W138 VanDerWaalsContact O-CG 3.26Å; L134-W138 PolarHBondContact O-N 3.27Å; A135-W138 CarbonylContact O-C 3.35Å; A135-W138 PolarHBondContact O-N 3.09Å; A135-W138 VanDerWaalsContact O-N 3.15Å; R136-W138 PolarHBondContact O-N 2.98Å; W138-C141 HydrophobicContact CB-CB 3.73Å; W138-C141 HydrophobicContact CE3-CB 4.47Å; W138-C141 PolarHBondContact O-N 3.45Å
139C87.8Confident94.9Very high102 Ų10256.6 Ų56.669%0.68929%0.286SS*.THydrogen-bonded Turntrans61.142.2-180-55.30000113.4R136 Q137R136-C139 PolarHBondContact O-N 3.29Å; Q137-C139 PolarHBondContact O-N 3.07Å; Q137-C139 VanDerWaalsContact O-N 3.17Å
140N84.3Confident94.8Very high133 Ų13353.4 Ų53.471%0.71128%0.278SS*.SBendtrans5747.4-173.5-63.1-39.5000113A135 R136A135-N140 WeakPolarHBondContact O-CA 3.28Å; A135-N140 PolarHBondContact O-N 3.03Å; R136-N140 PolarHBondContact O-N 3.29Å
141C92.5Very high94.8Very high23 Ų2355.6 Ų55.616%0.15529%0.286CS..  trans-55.3147.3170-175.50000110.6M111 A135 W138M111-C141 PolarHBondContact O-SG 3.19Å; M111-C141 VanDerWaalsContact O-SG 3.33Å; A135-C141 HydrophobicContact CB-CB 4.46Å; A135-C141 PolarHBondContact O-N 3.39Å; W138-C141 HydrophobicContact CB-CB 3.73Å; W138-C141 HydrophobicContact CE3-CB 4.47Å; W138-C141 PolarHBondContact O-N 3.45Å
142A95.9Very high94.9Very high52 Ų5259 Ų5943%0.4330%0.303SS..EExtended strand (participates in β ladder)trans-62.5140.9173.800000110.1I112 L113I112-A142 HydrophobicContact CB-CB 4.11Å; I112-A142 HydrophobicContact CD1-CB 4.16Å; I112-A142 HydrophobicContact CG1-CB 3.79Å; L113-A142 PolarHBondContact N-O 3.36Å
143F97.8Very high94.9Very high36 Ų3658 Ų5816%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-138.6131.3179.7171.5-106.8000111.9Y82 L113 K128 Q132 A135 E145Y82-F143 HydrophobicContact CE1-CE2 4.31Å; L113-F143 HydrophobicContact CB-CD2 4.07Å; L113-F143 HydrophobicContact CD2-CD2 3.79Å; L113-F143 HydrophobicContact CD2-CE2 4.27Å; L113-F143 HydrophobicContact CG-CD2 3.79Å; L113-F143 HydrophobicContact CG-CE2 4.3Å; L113-F143 WeakPolarHBondContact O-CA 3.3Å; L113-F143 WeakPolarHBondContact O-CD2 3.33Å; K128-F143 HydrophobicContact CG-CE1 4.15Å; Q132-F143 HydrophobicContact CB-CD1 4.43Å; Q132-F143 HydrophobicContact CG-CD1 3.54Å; Q132-F143 HydrophobicContact CG-CE1 3.55Å; A135-F143 HydrophobicContact CB-CB 3.65Å; A135-F143 HydrophobicContact CB-CG 4.35Å; F143-E145 HydrophobicContact CE1-CG 4.27Å; F143-E145 HydrophobicContact CE2-CG 4.49Å; F143-E145 HydrophobicContact CZ-CG 3.71Å
144L97.8Very high94.9Very high48 Ų4855.7 Ų55.725%0.25129%0.288SS..EExtended strand (participates in β ladder)trans-139.2148.2173.5-65.1173.2000110.4I112 L113 V114 G115 N153 E156 I157I112-L144 HydrophobicContact CD1-CD1 3.8Å; I112-L144 HydrophobicContact CD1-CG 4.16Å; L113-L144 PolarHBondContact O-N 3.11Å; L113-L144 VanDerWaalsContact O-N 3.07Å; V114-L144 WeakPolarHBondContact CA-O 3.47Å; G115-L144 PolarHBondContact N-O 3.13Å; L144-N153 HydrophobicContact CD1-CB 4.49Å; L144-E156 HydrophobicContact CD1-CB 3.77Å; L144-I157 HydrophobicContact CD1-CG1 4.42Å
145E98.3Very high94.9Very high14 Ų1458.4 Ų58.47%0.06530%0.303CS..EExtended strand (participates in β ladder)trans-97.9137.1160.1-67.4-169.5152.600109.1G115 C118 R124 K128 F143 N153G115-E145 CarbonylContact O-C 3.54Å; G115-E145 WeakPolarHBondContact O-CA 3.4Å; C118-E145 HydrophobicContact CB-CB 4.06Å; R124-E145 IonicContact CZ-OE1 3.73Å; R124-E145 IonicContact CZ-OE2 3.56Å; R124-E145 IonicContact NH1-OE1 3.72Å; R124-E145 PolarHBondContact NH1-OE1 2.86Å; R124-E145 IonicContact NH1-OE2 3.35Å; R124-E145 IonicContact NH2-OE1 2.85Å; R124-E145 PolarHBondContact NH2-OE1 3.46Å; R124-E145 IonicContact NH2-OE2 3.55Å; R124-E145 PolarHBondContact NH2-OE2 3.07Å; K128-E145 WeakPolarHBondContact CA-OE1 3.39Å; K128-E145 WeakPolarHBondContact CB-OE1 3.44Å; K128-E145 HydrophobicContact CG-CG 4.38Å; F143-E145 HydrophobicContact CE1-CG 4.27Å; F143-E145 HydrophobicContact CE2-CG 4.49Å; F143-E145 HydrophobicContact CZ-CG 3.71Å; E145-N153 WeakPolarHBondContact O-CB 3.49Å; E145-N153 PolarHBondContact O-ND2 3.15Å
146S98.3Very high94.9Very high0 Ų063.1 Ų63.10%032%0.324CS..EExtended strand (participates in β ladder)trans-132.3161.4-17463.20000112.2V114 G115 N116 K117 C118 I152V114-S146 WeakPolarHBondContact CG1-OG 3.46Å; G115-S146 PolarHBondContact O-N 3.23Å; N116-S146 CarbonylContact C-O 3.59Å; N116-S146 VanDerWaalsContact CA-O 3.29Å; N116-S146 WeakPolarHBondContact CA-O 3.42Å; N116-S146 PolarHBondContact OD1-O 2.73Å; N116-S146 PolarHBondContact OD1-OG 2.97Å; K117-S146 PolarHBondContact N-O 3.21Å; C118-S146 PolarHBondContact N-O 3.31Å; C118-S146 PolarHBondContact SG-O 3.43Å; S146-I152 VanDerWaalsContact CA-O 3.24Å; S146-I152 WeakPolarHBondContact CA-O 3.49Å; S146-I152 VanDerWaalsContact CB-O 3.31Å; S146-I152 WeakPolarHBondContact CB-O 3.48Å
147S97.6Very high95Very high0 Ų056.8 Ų56.80%030%0.301CS..BIsolated β-bridgetrans-138.1111.1168.4174.40000108.9D119 K149 S150 K151 I152D119-S147 VanDerWaalsContact OD1-CB 3.25Å; D119-S147 WeakPolarHBondContact OD1-CB 3.37Å; D119-S147 PolarHBondContact OD1-OG 3.03Å; S147-K149 PolarHBondContact O-N 2.95Å; S147-K149 PolarHBondContact OG-N 2.88Å; S147-S150 WeakPolarHBondContact OG-CB 3.45Å; S147-S150 PolarHBondContact OG-N 3.39Å; S147-K151 WeakPolarHBondContact O-CA 3.4Å; S147-K151 PolarHBondContact O-N 2.96Å; S147-I152 PolarHBondContact N-O 2.86Å; S147-I152 PolarHBondContact O-N 3.29Å
148A95.3Very high95Very high3 Ų350.8 Ų50.83%0.02527%0.273CS..THydrogen-bonded Turntrans-59.6-33.2169.900000111.9A18 L19 Q22 F28 N116A18-A148 HydrophobicContact CB-CB 3.63Å; L19-A148 HydrophobicContact CD2-CB 3.92Å; L19-A148 HydrophobicContact CG-CB 4.17Å; Q22-A148 PolarHBondContact NE2-O 3.34Å; F28-A148 HydrophobicContact CD2-CB 4.15Å; F28-A148 HydrophobicContact CE2-CB 4.12Å; N116-A148 PolarHBondContact OD1-N 3.18Å
149K94.6Very high94.9Very high112 Ų11255.3 Ų55.349%0.48730%0.298SS..THydrogen-bonded Turntrans-73.1-48.5-178.8-175.8177.4178.9-178.40112F28 S147 K151F28-K149 HydrophobicContact CD1-CB 4.4Å; F28-K149 HydrophobicContact CD1-CG 4.18Å; F28-K149 HydrophobicContact CD2-CB 4.35Å; F28-K149 HydrophobicContact CE1-CB 4.06Å; F28-K149 HydrophobicContact CE1-CD 4.26Å; F28-K149 HydrophobicContact CE1-CG 3.89Å; F28-K149 HydrophobicContact CE2-CB 4.03Å; F28-K149 HydrophobicContact CZ-CB 3.88Å; F28-K149 HydrophobicContact CZ-CG 4.2Å; S147-K149 PolarHBondContact O-N 2.95Å; S147-K149 PolarHBondContact OG-N 2.88Å; K149-K151 VanDerWaalsContact C-N 3.35Å
150S95.3Very high95.3Very high65 Ų6553 Ų5346%0.45528%0.278SS..THydrogen-bonded Turntrans-90.83.9-176.8-59.90000113.7D119 S147 I152D119-S150 WeakPolarHBondContact CB-OG 3.42Å; S147-S150 WeakPolarHBondContact OG-CB 3.45Å; S147-S150 PolarHBondContact OG-N 3.39Å; S150-I152 VanDerWaalsContact C-N 3.27Å; S150-I152 PolarHBondContact O-N 2.94Å
151K95.3Very high95.9Very high128 Ų12848.8 Ų48.856%0.55726%0.256SS*.THydrogen-bonded Turntrans57.836-178.6-56.4-174.1177-161.10113.5Q22 G26 S147 K149Q22-K151 HydrophobicContact CG-CG 4.28Å; Q22-K151 VanDerWaalsContact OE1-CE 3.26Å; G26-K151 PolarHBondContact O-NZ 3.34Å; S147-K151 WeakPolarHBondContact O-CA 3.4Å; S147-K151 PolarHBondContact O-N 2.96Å; K149-K151 VanDerWaalsContact C-N 3.35Å
152I97.9Very high96Very high70 Ų7050.2 Ų50.236%0.35926%0.261SS..BIsolated β-bridgetrans-92.7125.1-180-58.8171.9000108.8S146 S147 S150 V154S146-I152 VanDerWaalsContact CA-O 3.24Å; S146-I152 WeakPolarHBondContact CA-O 3.49Å; S146-I152 VanDerWaalsContact CB-O 3.31Å; S146-I152 WeakPolarHBondContact CB-O 3.48Å; S147-I152 PolarHBondContact N-O 2.86Å; S147-I152 PolarHBondContact O-N 3.29Å; S150-I152 VanDerWaalsContact C-N 3.27Å; S150-I152 PolarHBondContact O-N 2.94Å; I152-V154 PolarHBondContact O-N 3.05Å; I152-V154 VanDerWaalsContact O-N 3.14Å
153N97.2Very high96Very high54 Ų5450.1 Ų50.129%0.28925%0.251SS..SBendtrans54.826.7175.7-63.9-29.4000115L144 E145 E156 I157L144-N153 HydrophobicContact CD1-CB 4.49Å; E145-N153 WeakPolarHBondContact O-CB 3.49Å; E145-N153 PolarHBondContact O-ND2 3.15Å; N153-E156 WeakPolarHBondContact CA-OE2 3.3Å; N153-E156 HydrophobicContact CB-CB 4.49Å; N153-I157 VanDerWaalsContact O-CD1 3.25Å; N153-I157 WeakPolarHBondContact O-CD1 3.43Å; N153-I157 VanDerWaalsContact O-CG1 3.28Å; N153-I157 WeakPolarHBondContact O-CG1 3.23Å
154V96.8Very high95.9Very high6 Ų651 Ų514%0.03626%0.257CS..SBendtrans-75-41.5-177176.90000111.2L19 Q22 F23 I152 E156 F158L19-V154 HydrophobicContact CD2-CG2 4.05Å; Q22-V154 HydrophobicContact CB-CG1 4.1Å; Q22-V154 HydrophobicContact CG-CB 4.48Å; Q22-V154 HydrophobicContact CG-CG1 3.97Å; Q22-V154 HydrophobicContact CG-CG2 4.1Å; F23-V154 HydrophobicContact CB-CG1 3.89Å; I152-V154 PolarHBondContact O-N 3.05Å; I152-V154 VanDerWaalsContact O-N 3.14Å; V154-E156 PolarHBondContact N-OE2 3.41Å; V154-F158 VanDerWaalsContact O-CD2 3.26Å; V154-F158 WeakPolarHBondContact O-CD2 3.28Å
155N95.1Very high95.8Very high72 Ų7251.2 Ų51.239%0.38526%0.257SS..SBendtrans-75.3-38.2-178.7-69-29.1000110.9F23 I157 F158 L159F23-N155 VanDerWaalsContact CD2-OD1 3.29Å; F23-N155 WeakPolarHBondContact CD2-OD1 3.41Å; F23-N155 HydrophobicContact CE2-CB 4.44Å; N155-I157 PolarHBondContact O-N 3.16Å; N155-I157 VanDerWaalsContact O-N 3.1Å; N155-F158 PolarHBondContact O-N 3.08Å; N155-L159 HydrophobicContact CB-CD1 3.87Å; N155-L159 HydrophobicContact CB-CG 4.4Å; N155-L159 WeakPolarHBondContact O-CB 3.5Å; N155-L159 WeakPolarHBondContact O-CG 3.33Å; N155-L159 PolarHBondContact O-N 3.46Å
156E95.4Very high95.6Very high103 Ų10353.9 Ų53.948%0.48127%0.271SS..THydrogen-bonded Turntrans-62.1-16.6-177.8-64.876.2-17600113L144 N153 V154L144-E156 HydrophobicContact CD1-CB 3.77Å; N153-E156 WeakPolarHBondContact CA-OE2 3.3Å; N153-E156 HydrophobicContact CB-CB 4.49Å; V154-E156 PolarHBondContact N-OE2 3.41Å
157I96.1Very high95.4Very high17 Ų1758 Ų589%0.08729%0.292CS..THydrogen-bonded Turntrans-75.1-32.1172.5-67.9159.8000111.6L19 A79 I112 V114 L144 N153 N155L19-I157 HydrophobicContact CD1-CD1 4.24Å; L19-I157 HydrophobicContact CD2-CD1 4.11Å; A79-I157 HydrophobicContact CB-CG2 4Å; I112-I157 HydrophobicContact CG2-CG2 4.23Å; V114-I157 HydrophobicContact CG1-CD1 3.62Å; V114-I157 HydrophobicContact CG1-CG1 4.25Å; V114-I157 HydrophobicContact CG2-CD1 4.13Å; V114-I157 HydrophobicContact CG2-CG1 3.95Å; V114-I157 HydrophobicContact CG2-CG2 4.12Å; L144-I157 HydrophobicContact CD1-CG1 4.42Å; N153-I157 VanDerWaalsContact O-CD1 3.25Å; N153-I157 WeakPolarHBondContact O-CD1 3.43Å; N153-I157 VanDerWaalsContact O-CG1 3.28Å; N153-I157 WeakPolarHBondContact O-CG1 3.23Å; N155-I157 PolarHBondContact O-N 3.16Å; N155-I157 VanDerWaalsContact O-N 3.1Å
158F94.3Very high95.3Very high15 Ų1562.8 Ų62.87%0.06632%0.316CS..THydrogen-bonded Turntrans-114.5-14.8-168.2-58.1-75.3000114.2L6 V8 F23 L53 I55 V154 N155L6-F158 HydrophobicContact CD1-CB 4.29Å; L6-F158 HydrophobicContact CD1-CD1 3.85Å; V8-F158 HydrophobicContact CG2-CE1 3.88Å; V8-F158 HydrophobicContact CG2-CZ 4.15Å; F23-F158 HydrophobicContact CB-CD2 3.87Å; F23-F158 HydrophobicContact CB-CE2 3.78Å; F23-F158 HydrophobicContact CD1-CB 4.39Å; F23-F158 AromaticContact CD1-CD2 3.87Å; F23-F158 HydrophobicContact CD1-CD2 3.87Å; F23-F158 HydrophobicContact CD1-CE2 4.34Å; F23-F158 HydrophobicContact CD1-CG 4.14Å; F23-F158 HydrophobicContact CD2-CB 4.32Å; F23-F158 AromaticContact CD2-CD2 3.67Å; F23-F158 HydrophobicContact CD2-CD2 3.67Å; F23-F158 HydrophobicContact CD2-CE2 4.43Å; F23-F158 HydrophobicContact CD2-CG 4.36Å; F23-F158 HydrophobicContact CE1-CB 3.95Å; F23-F158 HydrophobicContact CE1-CD2 4.29Å; F23-F158 HydrophobicContact CE1-CG 4.17Å; F23-F158 HydrophobicContact CE2-CB 3.88Å; F23-F158 HydrophobicContact CE2-CD2 4.11Å; F23-F158 HydrophobicContact CE2-CG 4.39Å; F23-F158 AromaticContact CG-CD2 3.52Å; F23-F158 HydrophobicContact CG-CD2 3.52Å; F23-F158 AromaticContact CG-CE2 3.95Å; F23-F158 HydrophobicContact CG-CE2 3.95Å; F23-F158 HydrophobicContact CG-CG 4.22Å; F23-F158 HydrophobicContact CZ-CB 3.65Å; F23-F158 HydrophobicContact CZ-CD2 4.38Å; F23-F158 HydrophobicContact CZ-CG 4.28Å; L53-F158 HydrophobicContact CD1-CB 4.17Å; I55-F158 HydrophobicContact CD1-CD1 3.85Å; I55-F158 HydrophobicContact CD1-CE1 3.98Å; I55-F158 HydrophobicContact CD1-CG 4.26Å; I55-F158 HydrophobicContact CD1-CZ 4.5Å; I55-F158 HydrophobicContact CG1-CD1 4.32Å; I55-F158 HydrophobicContact CG1-CE1 4.4Å; I55-F158 HydrophobicContact CG2-CE1 3.99Å; V154-F158 VanDerWaalsContact O-CD2 3.26Å; V154-F158 WeakPolarHBondContact O-CD2 3.28Å; N155-F158 PolarHBondContact O-N 3.08Å
159L90Very high95.3Very high109 Ų10968.3 Ų68.357%0.57134%0.343SS*.  trans-100.30-178.3-62-176.1000112.3F23 V44 V46 N155F23-L159 HydrophobicContact CE2-CD2 4.29Å; F23-L159 HydrophobicContact CE2-CG 4.27Å; F23-L159 HydrophobicContact CZ-CD2 4.16Å; V44-L159 HydrophobicContact CB-CD2 3.81Å; V44-L159 HydrophobicContact CG1-CD2 4Å; V44-L159 HydrophobicContact CG2-CD2 3.86Å; V46-L159 WeakPolarHBondContact CG1-OXT 3.35Å; V46-L159 HydrophobicContact CG2-CB 4.45Å; V46-L159 HydrophobicContact CG2-CD2 3.92Å; N155-L159 HydrophobicContact CB-CD1 3.87Å; N155-L159 HydrophobicContact CB-CG 4.4Å; N155-L159 WeakPolarHBondContact O-CB 3.5Å; N155-L159 WeakPolarHBondContact O-CG 3.33Å; N155-L159 PolarHBondContact O-N 3.46Å

Retrieved 159 of 159 residues in 306.4 ms (Link to these results)

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