A0A077Z680_TRITR Loading...

Ras protein rab 7a

AlphaFold DB , UniProt , Accession A0A077Z680, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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
1M38.2Very low74.6Confident239 Ų239109.2 Ų109.2100%1.17755%0.547SS*.  0115.10-70.4176.7-176.500106.9T3M1-T3 PolarHBondContact O-N 2.97Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2A48.4Very low76.5Confident105 Ų105100.1 Ų100.187%0.86850%0.502SS*.  trans-62.6116.3171.900000107.3R4A2-R4 PolarHBondContact O-N 3.3Å
3T51.7Low78.2Confident137 Ų13792.5 Ų92.584%0.8446%0.464SS*.  trans-59.6104.9171.332.70000107M1 K5M1-T3 PolarHBondContact O-N 2.97Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-K5 PolarHBondContact O-N 3.33Å
4R60Low79.5Confident206 Ų20685.9 Ų85.978%0.77743%0.431SS*.  trans-55.5113.8175.4-134.9176.5-175.4-172-2106.4A2 K6A2-R4 PolarHBondContact O-N 3.3Å; R4-K6 PolarHBondContact O-N 2.87Å
5K68.1Low80.7Confident173 Ų17380.1 Ų80.175%0.75240%0.402SS*.PPolyproline II helixtrans-56.9122.7-177.7-170.6-176.7176.5-163.40107.3T3 V7T3-K5 PolarHBondContact O-N 3.33Å; K5-V7 PolarHBondContact O-N 2.9Å
6K78.3Confident81.7Confident185 Ų18577.4 Ų77.480%0.80439%0.389SS*.PPolyproline II helixtrans-64.7122.7174-71-174.6176.7-173.50107.6R4R4-K6 PolarHBondContact O-N 2.87Å
7V91.1Very high82.4Confident23 Ų2374.8 Ų74.814%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-88.1122.5176.9-177.20000107.8K5 L9 V57 T58 L174 E177K5-V7 PolarHBondContact O-N 2.9Å; V7-L9 HydrophobicContact CG1-CD2 3.79Å; V7-L9 HydrophobicContact CG1-CG 4.19Å; V7-V57 HydrophobicContact CB-CG1 4.15Å; V7-V57 HydrophobicContact CG1-CG1 4.39Å; V7-T58 PolarHBondContact O-N 3.22Å; V7-L174 HydrophobicContact CG1-CD1 3.76Å; V7-E177 HydrophobicContact CG1-CG 4.43Å
8L94.4Very high83.1Confident96 Ų9672.1 Ų72.150%0.50337%0.373SS..EExtended strand (participates in β ladder)trans-105.7123.6173.4179.974.9000107.2T58 Q60L8-T58 CarbonylContact C-O 3.54Å; L8-T58 WeakPolarHBondContact CA-O 2.91Å; L8-T58 HydrophobicContact CD1-CG2 3.82Å; L8-Q60 HydrophobicContact CD1-CB 4.23Å
9L96.3Very high83.9Confident0 Ų068.3 Ų68.30%035%0.354CS..EExtended strand (participates in β ladder)trans-109118.9177.3-58.4175.4000109.4V7 V57 T58 M59 Q60 D82 A170 A173 L174 E177V7-L9 HydrophobicContact CG1-CD2 3.79Å; V7-L9 HydrophobicContact CG1-CG 4.19Å; L9-V57 HydrophobicContact CD1-CB 4.07Å; L9-V57 HydrophobicContact CD1-CG1 4.41Å; L9-V57 HydrophobicContact CD1-CG2 3.89Å; L9-V57 HydrophobicContact CG-CB 4.48Å; L9-T58 PolarHBondContact N-O 2.96Å; L9-M59 CarbonylContact O-C 3.59Å; L9-M59 WeakPolarHBondContact O-CA 3.47Å; L9-Q60 PolarHBondContact O-N 3.12Å; L9-D82 WeakPolarHBondContact CA-OD2 3.25Å; L9-A170 WeakPolarHBondContact CD1-O 3.26Å; L9-A173 HydrophobicContact CB-CB 4.27Å; L9-A173 HydrophobicContact CD1-CB 4.09Å; L9-A173 HydrophobicContact CD2-CB 4.18Å; L9-A173 HydrophobicContact CG-CB 4.41Å; L9-L174 HydrophobicContact CD1-CB 4.06Å; L9-L174 HydrophobicContact CD2-CB 4.46Å; L9-L174 HydrophobicContact CD2-CD1 4.32Å; L9-E177 HydrophobicContact CD2-CB 4.3Å
10K96.4Very high84.6Confident37 Ų3765.5 Ų65.516%0.16134%0.342CS..EExtended strand (participates in β ladder)trans-94.3111.8179.1-174.8174.3175.4-170.30110.4I12 F77 R79 G80 A81 D82 C83K10-I12 HydrophobicContact CG-CD1 4.4Å; K10-F77 WeakPolarHBondContact CE-O 3.47Å; K10-F77 PolarHBondContact NZ-O 3.31Å; K10-R79 PolarHBondContact NZ-O 3.43Å; K10-G80 WeakPolarHBondContact CD-O 3.25Å; K10-A81 CarbonylContact O-C 3.59Å; K10-A81 WeakPolarHBondContact O-CA 3.4Å; K10-D82 PolarHBondContact N-OD2 2.7Å; K10-D82 PolarHBondContact O-N 3.48Å; K10-C83 PolarHBondContact O-N 2.78Å
11V97.9Very high85.2Confident0 Ų062.9 Ų62.90%033%0.328CS..EExtended strand (participates in β ladder)trans-110128.6-179.1177.40000109.5M59 Q60 W62 C83 V85 I169V11-M59 HydrophobicContact CG2-CG 3.73Å; V11-M59 HydrophobicContact CG2-SD 3.77Å; V11-Q60 PolarHBondContact N-O 3.27Å; V11-W62 PolarHBondContact O-N 2.91Å; V11-C83 WeakPolarHBondContact CA-O 3.33Å; V11-C83 HydrophobicContact CG2-CB 4.5Å; V11-V85 HydrophobicContact CG1-CG2 3.63Å; V11-I169 HydrophobicContact CB-CG2 4.31Å; V11-I169 HydrophobicContact CG1-CG2 3.66Å; V11-I169 HydrophobicContact CG2-CG2 3.63Å
12I97.5Very high87.9Confident0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-104.7132.1175.4-54.4-57.5000109.7K10 L14 W62 T64 Y78 A81 C83 C84 V85 F106K10-I12 HydrophobicContact CG-CD1 4.4Å; I12-L14 HydrophobicContact CG2-CD2 3.57Å; I12-L14 HydrophobicContact CG2-CG 3.91Å; I12-W62 HydrophobicContact CD1-CB 3.58Å; I12-W62 HydrophobicContact CD1-CG 3.73Å; I12-T64 HydrophobicContact CG2-CG2 4.01Å; I12-Y78 HydrophobicContact CG2-CD1 3.96Å; I12-Y78 HydrophobicContact CG2-CE1 4.02Å; I12-A81 HydrophobicContact CD1-CB 4.44Å; I12-A81 HydrophobicContact CG1-CB 3.57Å; I12-C83 PolarHBondContact N-O 2.95Å; I12-C84 CarbonylContact O-C 3.55Å; I12-C84 WeakPolarHBondContact O-CA 3.42Å; I12-V85 PolarHBondContact O-N 3.03Å; I12-F106 HydrophobicContact CB-CE2 4.24Å; I12-F106 HydrophobicContact CG1-CE2 4.17Å
13I98Very high90.3Very high1 Ų150.3 Ų50.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-106.4121.2173.7-51.4-175.9000109.7K21 M25 I61 W62 T64 V85 V87 F166I13-K21 HydrophobicContact CG2-CB 3.77Å; I13-K21 HydrophobicContact CG2-CD 4Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; I13-M25 HydrophobicContact CD1-CB 4.25Å; I13-I61 HydrophobicContact CD1-CG2 3.39Å; I13-I61 HydrophobicContact CG1-CG2 3.86Å; I13-W62 PolarHBondContact N-O 3.39Å; I13-T64 PolarHBondContact O-OG1 3.1Å; I13-V85 HydrophobicContact CG1-CB 4.19Å; I13-V85 HydrophobicContact CG1-CG2 4.39Å; I13-V85 HydrophobicContact CG2-CB 4.38Å; I13-V87 HydrophobicContact CG2-CG2 3.49Å; I13-V87 VanDerWaalsContact CG2-CG2 3.49Å; I13-F166 HydrophobicContact CD1-CE1 4.25Å; I13-F166 HydrophobicContact CD1-CZ 3.96Å
14L97.1Very high92.5Very high0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-121.7166.7-179.7-56.5-173.4000112I12 K21 T64 Y78 V85 L86 V87 W102 F106I12-L14 HydrophobicContact CG2-CD2 3.57Å; I12-L14 HydrophobicContact CG2-CG 3.91Å; L14-K21 VanDerWaalsContact C-CD 3.42Å; L14-T64 HydrophobicContact CD2-CG2 3.97Å; L14-T64 VanDerWaalsContact CD2-OG1 3.24Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.43Å; L14-Y78 HydrophobicContact CD1-CE2 4.25Å; L14-Y78 HydrophobicContact CD2-CE1 3.65Å; L14-Y78 VanDerWaalsContact CD2-OH 3.24Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.38Å; L14-V85 PolarHBondContact N-O 3.1Å; L14-L86 HydrophobicContact CB-CD2 4.17Å; L14-V87 PolarHBondContact O-N 3.47Å; L14-W102 HydrophobicContact CB-CD2 4.37Å; L14-W102 HydrophobicContact CB-CE3 4.05Å; L14-W102 HydrophobicContact CD1-CE3 4.27Å; L14-W102 HydrophobicContact CD2-CE3 4.48Å; L14-W102 HydrophobicContact CD2-CZ3 4.45Å; L14-F106 HydrophobicContact CD1-CB 3.75Å; L14-F106 HydrophobicContact CD1-CD2 3.93Å; L14-F106 HydrophobicContact CD1-CG 4.2Å
15G97Very high94.3Very high0 Ų034.1 Ų34.10%018%0.179CC..  trans134.1167.4-178.100000112.5K21 G66 V87 W102G15-K21 WeakPolarHBondContact O-CE 3.47Å; G15-K21 PolarHBondContact O-NZ 2.77Å; G15-G66 WeakPolarHBondContact O-CA 3.34Å; G15-V87 WeakPolarHBondContact CA-O 3.37Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 VanDerWaalsContact O-CZ2 3.3Å; G15-W102 WeakPolarHBondContact O-CZ2 3.39Å
16D96.4Very high95.7Very high36 Ų3628.2 Ų28.219%0.19316%0.156CC..  trans-59.3162.1-173.9-74.98.8000113.5G18 V19 K21 S95 S98 W102D16-G18 PolarHBondContact O-N 3.11Å; D16-V19 HydrophobicContact CB-CG1 3.83Å; D16-V19 WeakPolarHBondContact O-CG1 3.38Å; D16-V19 WeakPolarHBondContact O-CG2 3.35Å; D16-V19 PolarHBondContact O-N 3.25Å; D16-K21 PolarHBondContact O-NZ 3.37Å; D16-S95 WeakPolarHBondContact OD2-CA 3.15Å; D16-S98 WeakPolarHBondContact OD1-CB 3.42Å; D16-S98 PolarHBondContact OD1-OG 3.26Å; D16-S98 PolarHBondContact OD2-OG 2.98Å; D16-S98 VanDerWaalsContact OD2-OG 3.04Å; D16-W102 PolarHBondContact OD1-NE1 3.19Å
17S94.7Very high96.7Very high33 Ų3320.4 Ų20.423%0.23112%0.122CC..THydrogen-bonded Turntrans-55136.3169.9178.20000111.3V19 Y37 G66 Q67S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.18Å; S17-Y37 PolarHBondContact OG-OH 3.42Å; S17-G66 PolarHBondContact N-O 3.28Å; S17-Q67 PolarHBondContact OG-NE2 3.26Å
18G94.9Very high97Very high26 Ų2619.3 Ų19.327%0.26812%0.116SC..THydrogen-bonded Turntrans76.60.6173.500000116D16 G20 K126D16-G18 PolarHBondContact O-N 3.11Å; G18-G20 PolarHBondContact O-N 2.95Å; G18-K126 WeakPolarHBondContact O-CE 3.48Å; G18-K126 PolarHBondContact O-NZ 3.49Å
19V97.2Very high97.2Very high1 Ų116.1 Ų16.11%0.00610%0.1CC..SBendtrans-70.1-18.3176.4-57.10000113.4D16 S17 K21 V87 D89 N125 K126D16-V19 HydrophobicContact CB-CG1 3.83Å; D16-V19 WeakPolarHBondContact O-CG1 3.38Å; D16-V19 WeakPolarHBondContact O-CG2 3.35Å; D16-V19 PolarHBondContact O-N 3.25Å; S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.18Å; V19-K21 HydrophobicContact CG2-CD 4.46Å; V19-K21 HydrophobicContact CG2-CG 3.72Å; V19-V87 HydrophobicContact CB-CG1 4.31Å; V19-V87 HydrophobicContact CG2-CB 3.96Å; V19-V87 HydrophobicContact CG2-CG1 3.78Å; V19-D89 HydrophobicContact CB-CB 4.28Å; V19-D89 HydrophobicContact CG1-CB 4.18Å; V19-N125 PolarHBondContact O-ND2 3.49Å; V19-K126 WeakPolarHBondContact O-CE 3.43Å
20G97.6Very high97.2Very high12 Ų1219.6 Ų19.612%0.12412%0.119CC..SBendtrans105.723.3174.400000115.9G18 S23 L24G18-G20 PolarHBondContact O-N 2.95Å; G20-S23 WeakPolarHBondContact O-CB 3.4Å; G20-S23 PolarHBondContact O-N 3Å; G20-S23 VanDerWaalsContact O-N 3.14Å; G20-L24 WeakPolarHBondContact O-CG 3.47Å; G20-L24 PolarHBondContact O-N 3.28Å
21K97.1Very high97.3Very high10 Ų1023.5 Ų23.54%0.04314%0.136CC..Hα-helixtrans-51.2-56.4175.8-57.6-172.7-60.6-74.40113I13 L14 G15 D16 V19 S23 L24 M25 D63 T64 G66 V87I13-K21 HydrophobicContact CG2-CB 3.77Å; I13-K21 HydrophobicContact CG2-CD 4Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; L14-K21 VanDerWaalsContact C-CD 3.42Å; G15-K21 WeakPolarHBondContact O-CE 3.47Å; G15-K21 PolarHBondContact O-NZ 2.77Å; D16-K21 PolarHBondContact O-NZ 3.37Å; V19-K21 HydrophobicContact CG2-CD 4.46Å; V19-K21 HydrophobicContact CG2-CG 3.72Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3Å; K21-L24 PolarHBondContact O-N 3.05Å; K21-L24 VanDerWaalsContact O-N 3.13Å; K21-M25 PolarHBondContact O-N 3.32Å; K21-D63 WeakPolarHBondContact CB-OD1 3.46Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; K21-G66 VanDerWaalsContact NZ-CA 3.34Å; K21-V87 HydrophobicContact CG-CB 4.12Å; K21-V87 HydrophobicContact CG-CG2 4.24Å
22T96.4Very high97.1Very high46 Ų4632.6 Ų32.628%0.28217%0.17SC..Hα-helixtrans-57.6-38.9175.7-38.40000112.4N26 T40 D63T22-N26 WeakPolarHBondContact O-CB 3.35Å; T22-N26 PolarHBondContact O-N 3.08Å; T22-N26 PolarHBondContact O-ND2 3.28Å; T22-T40 PolarHBondContact OG1-OG1 2.96Å; T22-T40 VanDerWaalsContact OG1-OG1 3.09Å; T22-D63 WeakPolarHBondContact CA-OD2 3.48Å; T22-D63 VanDerWaalsContact CB-OD2 3.29Å; T22-D63 WeakPolarHBondContact CB-OD2 3.28Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.24Å; T22-D63 PolarHBondContact N-OD1 3.37Å; T22-D63 PolarHBondContact OG1-OD2 3.48Å
23S97.8Very high97.1Very high34 Ų3436 Ų3624%0.23819%0.185CC..Hα-helixtrans-68.1-40178.2-53.80000111.7G20 K21 Q27G20-S23 WeakPolarHBondContact O-CB 3.4Å; G20-S23 PolarHBondContact O-N 3Å; G20-S23 VanDerWaalsContact O-N 3.14Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3Å; S23-Q27 WeakPolarHBondContact O-CB 3.37Å; S23-Q27 PolarHBondContact O-N 3.29Å
24L98.6Very high96.8Very high0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-65.8-46.9175.5-73.8167.1000111.3G20 K21 N26 Q27 Y28 V87 L123 N125 V154 A156 V162 F166G20-L24 WeakPolarHBondContact O-CG 3.47Å; G20-L24 PolarHBondContact O-N 3.28Å; K21-L24 PolarHBondContact O-N 3.05Å; K21-L24 VanDerWaalsContact O-N 3.13Å; L24-N26 PolarHBondContact O-N 2.79Å; L24-Q27 PolarHBondContact O-N 3.25Å; L24-Y28 WeakPolarHBondContact O-CB 3.29Å; L24-Y28 PolarHBondContact O-N 3.04Å; L24-V87 HydrophobicContact CD1-CG1 3.63Å; L24-V87 HydrophobicContact CD1-CG2 4.03Å; L24-L123 HydrophobicContact CD1-CD1 3.98Å; L24-N125 HydrophobicContact CD1-CB 4.25Å; L24-V154 HydrophobicContact CD1-CG2 4.33Å; L24-V154 HydrophobicContact CD2-CB 4.32Å; L24-V154 HydrophobicContact CD2-CG2 3.7Å; L24-A156 HydrophobicContact CD2-CB 3.77Å; L24-A156 HydrophobicContact CG-CB 3.99Å; L24-V162 HydrophobicContact CD2-CG2 4.09Å; L24-F166 HydrophobicContact CB-CE2 4.37Å
25M97.8Very high96.5Very high4 Ų445.6 Ų45.62%0.0224%0.242CC..Hα-helixtrans-57.2-50.2176.2-176.5-177.866.400111I13 K21 Y28 V29 L46 I61 D63I13-M25 HydrophobicContact CD1-CB 4.25Å; K21-M25 PolarHBondContact O-N 3.32Å; M25-Y28 PolarHBondContact O-N 3.16Å; M25-V29 WeakPolarHBondContact O-CB 3.34Å; M25-V29 WeakPolarHBondContact O-CG2 3.34Å; M25-V29 PolarHBondContact O-N 3.28Å; M25-L46 HydrophobicContact CE-CD1 4.09Å; M25-L46 HydrophobicContact CE-CG 4.01Å; M25-L46 HydrophobicContact CG-CB 4.3Å; M25-L46 HydrophobicContact CG-CD1 4.1Å; M25-L46 HydrophobicContact CG-CG 4.36Å; M25-L46 HydrophobicContact SD-CB 4.2Å; M25-L46 HydrophobicContact SD-CD1 4.39Å; M25-L46 HydrophobicContact SD-CG 4.11Å; M25-I61 HydrophobicContact CB-CG2 4.41Å; M25-I61 HydrophobicContact CG-CB 4.24Å; M25-I61 HydrophobicContact CG-CG2 3.85Å; M25-I61 HydrophobicContact SD-CB 4.44Å; M25-I61 HydrophobicContact SD-CG2 4.21Å; M25-I61 VanDerWaalsContact SD-O 3.34Å; M25-D63 HydrophobicContact CE-CB 3.58Å; M25-D63 HydrophobicContact SD-CB 3.67Å
26N97.3Very high96Very high48 Ų4852.6 Ų52.626%0.25727%0.274SS..Hα-helixtrans-66.5-37.9178.3-82.1-69.3000113T22 L24 Y28 N30 K31 R32T22-N26 WeakPolarHBondContact O-CB 3.35Å; T22-N26 PolarHBondContact O-N 3.08Å; T22-N26 PolarHBondContact O-ND2 3.28Å; L24-N26 PolarHBondContact O-N 2.79Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; N26-N30 CarbonylContact O-C 3.52Å; N26-N30 WeakPolarHBondContact O-CA 3.48Å; N26-N30 WeakPolarHBondContact O-CB 3.32Å; N26-N30 PolarHBondContact O-N 3.5Å; N26-N30 PolarHBondContact OD1-ND2 3.45Å; N26-K31 PolarHBondContact O-N 3.5Å; N26-R32 CarbonylContact C-O 3.45Å
27Q98.1Very high95.6Very high21 Ų2157.5 Ų57.510%0.09829%0.291CS..Hα-helixtrans-67.7-38178.4-177.765.4-22.800111.4S23 L24 K31 R32 A156 A159 V162S23-Q27 WeakPolarHBondContact O-CB 3.37Å; S23-Q27 PolarHBondContact O-N 3.29Å; L24-Q27 PolarHBondContact O-N 3.25Å; Q27-K31 VanDerWaalsContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CA 3.45Å; Q27-K31 WeakPolarHBondContact O-CD 3.42Å; Q27-K31 PolarHBondContact O-N 3.5Å; Q27-K31 VanDerWaalsContact OE1-C 3.22Å; Q27-R32 PolarHBondContact N-O 3.02Å; Q27-R32 VanDerWaalsContact OE1-C 3.26Å; Q27-R32 PolarHBondContact OE1-O 3.1Å; Q27-A156 VanDerWaalsContact CG-O 3.26Å; Q27-A156 WeakPolarHBondContact CG-O 3.37Å; Q27-A156 PolarHBondContact NE2-O 2.75Å; Q27-A159 HydrophobicContact CG-CB 4.44Å; Q27-V162 HydrophobicContact CG-CG1 4.38Å; Q27-V162 HydrophobicContact CG-CG2 4.32Å
28Y98.4Very high95.2Very high0 Ų063.6 Ų63.60%031%0.313CS..Hα-helixtrans-70-48.8177.8178.9-111.8000112.4L24 M25 N26 K31 K48 V50 M59 I61 V162 E163 F166L24-Y28 WeakPolarHBondContact O-CB 3.29Å; L24-Y28 PolarHBondContact O-N 3.04Å; M25-Y28 PolarHBondContact O-N 3.16Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-K31 PolarHBondContact O-NZ 3.22Å; Y28-K48 HydrophobicContact CD1-CD 3.97Å; Y28-K48 HydrophobicContact CE1-CB 4.37Å; Y28-K48 HydrophobicContact CE1-CD 3.53Å; Y28-K48 HydrophobicContact CE1-CG 4.25Å; Y28-K48 VanDerWaalsContact CZ-NZ 3.26Å; Y28-K48 PolarHBondContact O-NZ 3.07Å; Y28-V50 WeakPolarHBondContact OH-CG2 3.48Å; Y28-M59 HydrophobicContact CD1-CE 4.21Å; Y28-M59 HydrophobicContact CE1-CE 3.28Å; Y28-I61 HydrophobicContact CD1-CD1 3.59Å; Y28-I61 HydrophobicContact CE1-CD1 3.91Å; Y28-V162 HydrophobicContact CD2-CG1 4.32Å; Y28-E163 WeakPolarHBondContact CD2-OE2 2.98Å; Y28-E163 VanDerWaalsContact CE2-CD 3.43Å; Y28-E163 HydrophobicContact CE2-CG 4.45Å; Y28-E163 VanDerWaalsContact CE2-OE1 3.24Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.41Å; Y28-E163 WeakPolarHBondContact CE2-OE2 3.46Å; Y28-F166 HydrophobicContact CD1-CB 3.98Å; Y28-F166 AromaticContact CD1-CD1 3.57Å; Y28-F166 HydrophobicContact CD1-CD1 3.57Å; Y28-F166 HydrophobicContact CD1-CD2 4.21Å; Y28-F166 HydrophobicContact CD1-CE1 4.04Å; Y28-F166 AromaticContact CD1-CG 3.66Å; Y28-F166 HydrophobicContact CD1-CG 3.66Å; Y28-F166 HydrophobicContact CD2-CB 3.42Å; Y28-F166 VanDerWaalsContact CD2-CB 3.42Å; Y28-F166 HydrophobicContact CD2-CD1 4.39Å; Y28-F166 AromaticContact CD2-CD2 3.78Å; Y28-F166 HydrophobicContact CD2-CD2 3.78Å; Y28-F166 AromaticContact CD2-CG 3.62Å; Y28-F166 HydrophobicContact CD2-CG 3.62Å; Y28-F166 HydrophobicContact CE1-CB 3.78Å; Y28-F166 AromaticContact CE1-CD1 3.83Å; Y28-F166 HydrophobicContact CE1-CD1 3.83Å; Y28-F166 AromaticContact CE1-CG 3.93Å; Y28-F166 HydrophobicContact CE1-CG 3.93Å; Y28-F166 HydrophobicContact CE2-CB 3.18Å; Y28-F166 HydrophobicContact CE2-CD2 4.45Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.8Å; Y28-F166 AromaticContact CG-CD1 3.87Å; Y28-F166 HydrophobicContact CG-CD1 3.87Å; Y28-F166 AromaticContact CG-CD2 3.63Å; Y28-F166 HydrophobicContact CG-CD2 3.63Å; Y28-F166 HydrophobicContact CG-CE1 4.32Å; Y28-F166 HydrophobicContact CG-CE2 4.1Å; Y28-F166 AromaticContact CG-CG 3.49Å; Y28-F166 HydrophobicContact CG-CG 3.49Å; Y28-F166 VanDerWaalsContact CG-CG 3.49Å; Y28-F166 HydrophobicContact CG-CZ 4.42Å
29V97.9Very high94.8Very high29 Ų2964.6 Ų64.618%0.17632%0.319CS..Hα-helixtrans-80.3-53.4-174.6-178.90000112.1M25 L46 K48 I61M25-V29 WeakPolarHBondContact O-CB 3.34Å; M25-V29 WeakPolarHBondContact O-CG2 3.34Å; M25-V29 PolarHBondContact O-N 3.28Å; V29-L46 HydrophobicContact CB-CB 4.32Å; V29-L46 HydrophobicContact CB-CD1 3.98Å; V29-L46 HydrophobicContact CG1-CB 4.13Å; V29-L46 HydrophobicContact CG1-CD1 4.16Å; V29-L46 HydrophobicContact CG2-CB 3.97Å; V29-L46 HydrophobicContact CG2-CD1 4.3Å; V29-K48 HydrophobicContact CG1-CB 4.35Å; V29-K48 HydrophobicContact CG2-CB 4.12Å; V29-K48 HydrophobicContact CG2-CD 4.47Å; V29-I61 HydrophobicContact CG2-CD1 3.67Å
30N97.1Very high94.2Very high73 Ų7365.9 Ų65.939%0.3933%0.327SS..Hα-helixtrans-98.6-4.8-169.7-64.2-37.3000113.6N26 R32 L46N26-N30 CarbonylContact O-C 3.52Å; N26-N30 WeakPolarHBondContact O-CA 3.48Å; N26-N30 WeakPolarHBondContact O-CB 3.32Å; N26-N30 PolarHBondContact O-N 3.5Å; N26-N30 PolarHBondContact OD1-ND2 3.45Å; N30-R32 HydrophobicContact CB-CB 4.37Å; N30-R32 WeakPolarHBondContact O-CG 3.07Å; N30-R32 PolarHBondContact O-N 3.2Å; N30-L46 WeakPolarHBondContact ND2-CD1 3.33Å
31K97.4Very high93.5Very high120 Ų12070.8 Ų70.852%0.52235%0.349SS..SBendtrans53.937.6-173.8-53.1-56.2-179-168.90112.3N26 Q27 Y28 E163N26-K31 PolarHBondContact O-N 3.5Å; Q27-K31 VanDerWaalsContact O-CA 3.32Å; Q27-K31 WeakPolarHBondContact O-CA 3.45Å; Q27-K31 WeakPolarHBondContact O-CD 3.42Å; Q27-K31 PolarHBondContact O-N 3.5Å; Q27-K31 VanDerWaalsContact OE1-C 3.22Å; Y28-K31 PolarHBondContact O-NZ 3.22Å; K31-E163 IonicContact NZ-OE2 2.61Å; K31-E163 PolarHBondContact NZ-OE2 3.5Å
32R95.7Very high92.9Very high191 Ų19170.8 Ų70.872%0.72135%0.352SS*.  trans-130.7136.4-177.4-73.7178-175.6-158.80.6111.5N26 Q27 N30N26-R32 CarbonylContact C-O 3.45Å; Q27-R32 PolarHBondContact N-O 3.02Å; Q27-R32 VanDerWaalsContact OE1-C 3.26Å; Q27-R32 PolarHBondContact OE1-O 3.1Å; N30-R32 HydrophobicContact CB-CB 4.37Å; N30-R32 WeakPolarHBondContact O-CG 3.07Å; N30-R32 PolarHBondContact O-N 3.2Å
33F95.9Very high92.6Very high72 Ų7269.8 Ų69.832%0.31635%0.348SS..  trans-119.6146169.1176.6-96.9000110.4N35 A156 K157F33-N35 VanDerWaalsContact CE1-OD1 3.27Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.42Å; F33-A156 HydrophobicContact CD2-CB 4.27Å; F33-A156 HydrophobicContact CE2-CB 4.43Å; F33-K157 HydrophobicContact CD1-CB 4.13Å; F33-K157 HydrophobicContact CD1-CG 3.87Å; F33-K157 HydrophobicContact CD2-CB 4.14Å; F33-K157 HydrophobicContact CE1-CB 3.88Å; F33-K157 HydrophobicContact CE1-CD 4.24Å; F33-K157 HydrophobicContact CE1-CG 3.61Å; F33-K157 HydrophobicContact CE2-CB 3.9Å; F33-K157 HydrophobicContact CG-CB 4.25Å; F33-K157 HydrophobicContact CG-CG 4.43Å; F33-K157 HydrophobicContact CZ-CB 3.77Å; F33-K157 HydrophobicContact CZ-CD 4.49Å; F33-K157 HydrophobicContact CZ-CG 3.99Å
34S92.9Very high92.3Very high67 Ų6772.9 Ų72.947%0.46936%0.362SS..  trans-133.2134.5174177.80000109.8Q36S34-Q36 PolarHBondContact O-N 3.27Å; S34-Q36 PolarHBondContact OG-N 3.08Å
35N89.9Confident92.1Very high135 Ų13576.9 Ų76.972%0.72238%0.38SS*.SBendtrans-73.9-14.5172.8-74-54.8000112.9F33 Y37F33-N35 VanDerWaalsContact CE1-OD1 3.27Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.42Å; N35-Y37 PolarHBondContact O-N 2.8Å; N35-Y37 VanDerWaalsContact O-N 3.13Å
36Q87.8Confident92.1Very high147 Ų14778.7 Ų78.769%0.68739%0.389SS*.  trans-76.4104.6-179.4-65.2-179.113.600109.8S34 K38S34-Q36 PolarHBondContact O-N 3.27Å; S34-Q36 PolarHBondContact OG-N 3.08Å; Q36-K38 PolarHBondContact O-N 3.29Å
37Y86.1Confident92.1Very high139 Ų13980 Ų8055%0.54540%0.399SS..  trans-72.6125.7172.4178.5-105.6000110.8S17 N35 A39S17-Y37 PolarHBondContact OG-OH 3.42Å; N35-Y37 PolarHBondContact O-N 2.8Å; N35-Y37 VanDerWaalsContact O-N 3.13Å; Y37-A39 HydrophobicContact CE1-CB 4.36Å
38K87.1Confident92Very high161 Ų16180.7 Ų80.770%0.740%0.402SS*.  trans-130.1129.8167-67-176.1-179.7179.70107.7Q36 T40Q36-K38 PolarHBondContact O-N 3.29Å; K38-T40 PolarHBondContact O-N 2.97Å
39A87.6Confident91.9Very high47 Ų4785.5 Ų85.539%0.38842%0.424SS..  trans-67.7127.2178.400000110.1Y37Y37-A39 HydrophobicContact CE1-CB 4.36Å
40T83Confident91.8Very high28 Ų2884.6 Ų84.617%0.17242%0.419CS..  trans-67.4129169.2-50.20000109.1T22 K38 D63 A65T22-T40 PolarHBondContact OG1-OG1 2.96Å; T22-T40 VanDerWaalsContact OG1-OG1 3.09Å; K38-T40 PolarHBondContact O-N 2.97Å; T40-D63 PolarHBondContact OG1-OD2 2.95Å; T40-A65 WeakPolarHBondContact O-CB 3.39Å
41I82.7Confident91.7Very high115 Ų11585 Ų8559%0.5942%0.424SS*.  trans-106.3123.4173.6-60.3176000107F70 L73I41-F70 HydrophobicContact CD1-CZ 4.46Å; I41-F70 HydrophobicContact CG1-CD2 4.5Å; I41-F70 HydrophobicContact CG1-CE2 4.18Å; I41-F70 HydrophobicContact CG1-CZ 4.3Å; I41-F70 HydrophobicContact CG2-CD1 4.35Å; I41-F70 HydrophobicContact CG2-CE1 4.4Å; I41-L73 HydrophobicContact CG2-CD1 4.25Å
42G86.3Confident91.4Very high9 Ų979.5 Ų79.59%0.09340%0.4CS..SBendtrans74-126.3-175.600000112.9A65G42-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 PolarHBondContact O-N 3.13Å
43A89.1Confident91.1Very high26 Ų2675 Ų7522%0.21539%0.39CS..EExtended strand (participates in β ladder)trans-141.5148175.200000110.6W62 D63 T64 F77A43-W62 HydrophobicContact CB-CE3 4.13Å; A43-D63 CarbonylContact C-O 3.55Å; A43-D63 WeakPolarHBondContact CA-O 3.25Å; A43-D63 WeakPolarHBondContact CB-O 3.44Å; A43-T64 HydrophobicContact CB-CG2 4.34Å; A43-F77 HydrophobicContact CB-CD2 3.47Å; A43-F77 VanDerWaalsContact CB-CD2 3.47Å; A43-F77 HydrophobicContact CB-CE2 3.68Å; A43-F77 HydrophobicContact CB-CG 4.16Å
44D91.4Very high90.7Very high98 Ų9878.4 Ų78.452%0.52441%0.412SS..EExtended strand (participates in β ladder)trans-131.3159.8171.5-164.66000108.3W62 D63D44-W62 CarbonylContact O-C 3.54Å; D44-W62 WeakPolarHBondContact O-CA 3.19Å; D44-D63 PolarHBondContact N-O 3.04Å; D44-D63 PolarHBondContact O-N 2.93Å
45F94.6Very high90.5Very high84 Ų8478.8 Ų78.837%0.36840%0.403SS..EExtended strand (participates in β ladder)trans-140.5149.8178.976.4-89.7000113.3T47 Q60 I61 W62F45-T47 HydrophobicContact CD2-CG2 4.23Å; F45-T47 HydrophobicContact CE2-CG2 4.11Å; F45-Q60 HydrophobicContact CB-CG 4.26Å; F45-Q60 HydrophobicContact CD2-CG 3.53Å; F45-Q60 HydrophobicContact CE2-CG 4.12Å; F45-Q60 VanDerWaalsContact CE2-NE2 3.29Å; F45-Q60 HydrophobicContact CG-CG 4.05Å; F45-I61 WeakPolarHBondContact CA-O 3.22Å; F45-I61 VanDerWaalsContact CB-O 3.3Å; F45-I61 WeakPolarHBondContact CB-O 3.48Å; F45-W62 HydrophobicContact CB-CD2 3.75Å; F45-W62 HydrophobicContact CB-CE3 3.99Å; F45-W62 HydrophobicContact CB-CG 4Å; F45-W62 HydrophobicContact CB-CZ3 4.45Å; F45-W62 HydrophobicContact CD1-CD2 4.41Å; F45-W62 HydrophobicContact CD1-CE3 4.18Å; F45-W62 AromaticContact CD1-CH2 3.62Å; F45-W62 HydrophobicContact CD1-CH2 3.62Å; F45-W62 AromaticContact CD1-CZ2 3.86Å; F45-W62 HydrophobicContact CD1-CZ2 3.86Å; F45-W62 AromaticContact CD1-CZ3 3.79Å; F45-W62 HydrophobicContact CD1-CZ3 3.79Å; F45-W62 HydrophobicContact CE1-CH2 4.07Å; F45-W62 HydrophobicContact CE1-CZ2 4.34Å; F45-W62 HydrophobicContact CG-CD2 4.33Å; F45-W62 HydrophobicContact CG-CE3 4.48Å; F45-W62 HydrophobicContact CG-CH2 4.36Å; F45-W62 HydrophobicContact CG-CZ2 4.21Å; F45-W62 HydrophobicContact CG-CZ3 4.49Å
46L97.3Very high90.6Very high42 Ų4277.6 Ų77.622%0.2240%0.396CS..EExtended strand (participates in β ladder)trans-121.4150168.6-66.4-179.2000109.9M25 V29 N30 I61M25-L46 HydrophobicContact CE-CD1 4.09Å; M25-L46 HydrophobicContact CE-CG 4.01Å; M25-L46 HydrophobicContact CG-CB 4.3Å; M25-L46 HydrophobicContact CG-CD1 4.1Å; M25-L46 HydrophobicContact CG-CG 4.36Å; M25-L46 HydrophobicContact SD-CB 4.2Å; M25-L46 HydrophobicContact SD-CD1 4.39Å; M25-L46 HydrophobicContact SD-CG 4.11Å; V29-L46 HydrophobicContact CB-CB 4.32Å; V29-L46 HydrophobicContact CB-CD1 3.98Å; V29-L46 HydrophobicContact CG1-CB 4.13Å; V29-L46 HydrophobicContact CG1-CD1 4.16Å; V29-L46 HydrophobicContact CG2-CB 3.97Å; V29-L46 HydrophobicContact CG2-CD1 4.3Å; N30-L46 WeakPolarHBondContact ND2-CD1 3.33Å; L46-I61 PolarHBondContact N-O 2.94Å; L46-I61 PolarHBondContact O-N 2.64Å
47T97.3Very high90.9Very high76 Ų7670.6 Ų70.647%0.46636%0.364SS..EExtended strand (participates in β ladder)trans-107.6143.7173.552.10000110.9F45 T58 M59 Q60F45-T47 HydrophobicContact CD2-CG2 4.23Å; F45-T47 HydrophobicContact CE2-CG2 4.11Å; T47-T58 HydrophobicContact CG2-CG2 4.46Å; T47-M59 CarbonylContact C-O 3.58Å; T47-M59 VanDerWaalsContact CA-O 3.27Å; T47-M59 WeakPolarHBondContact CA-O 3.02Å; T47-Q60 HydrophobicContact CG2-CB 4.34Å; T47-Q60 HydrophobicContact CG2-CG 4.26Å
48K97.1Very high91.4Very high35 Ų3565.2 Ų65.215%0.15235%0.345CS..EExtended strand (participates in β ladder)trans-141.7132.2170.8177.8162.3161.8-166.20110.1Y28 V29 V50 M59 E163Y28-K48 HydrophobicContact CD1-CD 3.97Å; Y28-K48 HydrophobicContact CE1-CB 4.37Å; Y28-K48 HydrophobicContact CE1-CD 3.53Å; Y28-K48 HydrophobicContact CE1-CG 4.25Å; Y28-K48 VanDerWaalsContact CZ-NZ 3.26Å; Y28-K48 PolarHBondContact O-NZ 3.07Å; V29-K48 HydrophobicContact CG1-CB 4.35Å; V29-K48 HydrophobicContact CG2-CB 4.12Å; V29-K48 HydrophobicContact CG2-CD 4.47Å; K48-V50 HydrophobicContact CG-CG2 4.07Å; K48-M59 PolarHBondContact N-O 3.2Å; K48-M59 PolarHBondContact O-N 3.46Å; K48-E163 IonicContact NZ-OE1 2.7Å; K48-E163 PolarHBondContact NZ-OE1 3.2Å; K48-E163 IonicContact NZ-OE2 3.69Å; K48-E163 PolarHBondContact NZ-OE2 2.8Å
49E96.8Very high91.9Very high102 Ų10257.6 Ų57.648%0.47731%0.312SS..EExtended strand (participates in β ladder)trans-75.7129.9169.2-64.3-62.8140.900109.1L56 V57 T58E49-L56 HydrophobicContact CB-CD1 4.13Å; E49-V57 WeakPolarHBondContact CA-O 3.48Å; E49-T58 WeakPolarHBondContact OE1-CB 3.45Å; E49-T58 WeakPolarHBondContact OE1-CG2 3.16Å; E49-T58 PolarHBondContact OE1-OG1 3.16Å; E49-T58 PolarHBondContact OE2-OG1 3.07Å
50V95.4Very high92.4Very high9 Ų956.8 Ų56.86%0.05530%0.3CS..EExtended strand (participates in β ladder)trans-133.3146.1-178.5-172.50000108.3Y28 K48 V52 V57 M59 Q167 A170Y28-V50 WeakPolarHBondContact OH-CG2 3.48Å; K48-V50 HydrophobicContact CG-CG2 4.07Å; V50-V52 HydrophobicContact CG1-CG2 3.99Å; V50-V57 HydrophobicContact CB-CG2 4.09Å; V50-V57 PolarHBondContact N-O 3.3Å; V50-V57 WeakPolarHBondContact O-CG2 3.43Å; V50-V57 PolarHBondContact O-N 3.12Å; V50-M59 HydrophobicContact CG2-CB 4.48Å; V50-M59 HydrophobicContact CG2-CE 4.22Å; V50-Q167 VanDerWaalsContact CG1-OE1 3.24Å; V50-A170 HydrophobicContact CG1-CB 4.41Å
51V94.3Very high93.1Very high83 Ų8355.5 Ų55.550%0.50329%0.292SS..EExtended strand (participates in β ladder)trans-100.8122.6170.9-178.70000108.5R55 L56 Q167V51-R55 WeakPolarHBondContact CA-O 3.31Å; V51-L56 HydrophobicContact CG2-CD1 4.01Å; V51-Q167 PolarHBondContact O-NE2 2.83Å
52V92.2Very high93.8Very high3 Ų351.3 Ų51.32%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-131122.1177.8-175.80000107.2V50 D54 R55 V57 A170 Q171 L174V50-V52 HydrophobicContact CG1-CG2 3.99Å; V52-D54 VanDerWaalsContact C-N 3.31Å; V52-D54 PolarHBondContact O-N 3.09Å; V52-R55 PolarHBondContact N-O 3.43Å; V52-R55 WeakPolarHBondContact O-CA 3.36Å; V52-R55 WeakPolarHBondContact O-CB 3.5Å; V52-R55 PolarHBondContact O-N 3.3Å; V52-V57 HydrophobicContact CG2-CG2 3.95Å; V52-A170 HydrophobicContact CG2-CB 3.58Å; V52-Q171 HydrophobicContact CG1-CB 4.13Å; V52-L174 HydrophobicContact CB-CD2 3.79Å; V52-L174 HydrophobicContact CG1-CD2 3.71Å
53D88Confident94.2Very high97 Ų9750.9 Ų50.952%0.51927%0.265SS..THydrogen-bonded Turntrans48.149-177.6-49.8-34.9000113.4R55D53-R55 PolarHBondContact O-N 3.07Å
54D87Confident94.3Very high143 Ų14349.7 Ų49.777%0.76526%0.255SS*.THydrogen-bonded Turntrans58.216.6-177.1-58.3-43.8000115.3V52V52-D54 VanDerWaalsContact C-N 3.31Å; V52-D54 PolarHBondContact O-N 3.09Å
55R89.7Confident94.1Very high75 Ų7545.1 Ų45.128%0.28323%0.23SC..EExtended strand (participates in β ladder)trans-106.1128.1171.6-62.5-175.8-77.7178.3-6.7109.7V51 V52 D53 V57 L174 S178V51-R55 WeakPolarHBondContact CA-O 3.31Å; V52-R55 PolarHBondContact N-O 3.43Å; V52-R55 WeakPolarHBondContact O-CA 3.36Å; V52-R55 WeakPolarHBondContact O-CB 3.5Å; V52-R55 PolarHBondContact O-N 3.3Å; D53-R55 PolarHBondContact O-N 3.07Å; R55-V57 HydrophobicContact CB-CG1 4.41Å; R55-V57 PolarHBondContact O-N 3.26Å; R55-L174 VanDerWaalsContact CZ-CD2 3.48Å; R55-L174 VanDerWaalsContact NH2-CD2 3.26Å; R55-L174 VanDerWaalsContact NH2-CG 3.32Å; R55-S178 PolarHBondContact NH1-OG 3.49Å
56L92.3Very high93.3Very high111 Ų11141.7 Ų41.758%0.58122%0.218SC*.EExtended strand (participates in β ladder)trans-78118.9169-173.868000108.6E49 V51E49-L56 HydrophobicContact CB-CD1 4.13Å; V51-L56 HydrophobicContact CG2-CD1 4.01Å
57V94.4Very high92.7Very high0 Ų043.4 Ų43.40%023%0.225CC..EExtended strand (participates in β ladder)trans-120.2139.6179.7-55.90000110.1V7 L9 E49 V50 V52 R55 L174V7-V57 HydrophobicContact CB-CG1 4.15Å; V7-V57 HydrophobicContact CG1-CG1 4.39Å; L9-V57 HydrophobicContact CD1-CB 4.07Å; L9-V57 HydrophobicContact CD1-CG1 4.41Å; L9-V57 HydrophobicContact CD1-CG2 3.89Å; L9-V57 HydrophobicContact CG-CB 4.48Å; E49-V57 WeakPolarHBondContact CA-O 3.48Å; V50-V57 HydrophobicContact CB-CG2 4.09Å; V50-V57 PolarHBondContact N-O 3.3Å; V50-V57 WeakPolarHBondContact O-CG2 3.43Å; V50-V57 PolarHBondContact O-N 3.12Å; V52-V57 HydrophobicContact CG2-CG2 3.95Å; R55-V57 HydrophobicContact CB-CG1 4.41Å; R55-V57 PolarHBondContact O-N 3.26Å; V57-L174 HydrophobicContact CG1-CD1 4.02Å; V57-L174 HydrophobicContact CG1-CD2 4Å
58T96.5Very high91.8Very high26 Ų2647.2 Ų47.216%0.1624%0.238CC..EExtended strand (participates in β ladder)trans-91.6111.8170.8-52.70000107.9V7 L8 L9 T47 E49V7-T58 PolarHBondContact O-N 3.22Å; L8-T58 CarbonylContact C-O 3.54Å; L8-T58 WeakPolarHBondContact CA-O 2.91Å; L8-T58 HydrophobicContact CD1-CG2 3.82Å; L9-T58 PolarHBondContact N-O 2.96Å; T47-T58 HydrophobicContact CG2-CG2 4.46Å; E49-T58 WeakPolarHBondContact OE1-CB 3.45Å; E49-T58 WeakPolarHBondContact OE1-CG2 3.16Å; E49-T58 PolarHBondContact OE1-OG1 3.16Å; E49-T58 PolarHBondContact OE2-OG1 3.07Å
59M97.6Very high91Very high0 Ų054.9 Ų54.90%027%0.266CS..EExtended strand (participates in β ladder)trans-92.5121.4175.2-167.2162.561.400110L9 V11 Y28 T47 K48 V50 I61 F166 I169 A170L9-M59 CarbonylContact O-C 3.59Å; L9-M59 WeakPolarHBondContact O-CA 3.47Å; V11-M59 HydrophobicContact CG2-CG 3.73Å; V11-M59 HydrophobicContact CG2-SD 3.77Å; Y28-M59 HydrophobicContact CD1-CE 4.21Å; Y28-M59 HydrophobicContact CE1-CE 3.28Å; T47-M59 CarbonylContact C-O 3.58Å; T47-M59 VanDerWaalsContact CA-O 3.27Å; T47-M59 WeakPolarHBondContact CA-O 3.02Å; K48-M59 PolarHBondContact N-O 3.2Å; K48-M59 PolarHBondContact O-N 3.46Å; V50-M59 HydrophobicContact CG2-CB 4.48Å; V50-M59 HydrophobicContact CG2-CE 4.22Å; M59-I61 HydrophobicContact CE-CD1 3.88Å; M59-I61 HydrophobicContact CE-CG1 4.12Å; M59-I61 HydrophobicContact CG-CG1 3.94Å; M59-F166 HydrophobicContact CE-CB 4.36Å; M59-F166 HydrophobicContact CE-CD1 3.8Å; M59-I169 HydrophobicContact SD-CG2 4.21Å; M59-A170 HydrophobicContact SD-CB 3.91Å
60Q97.8Very high90.3Very high31 Ų3151.9 Ų51.915%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-99.5108.4172.5-171.8-176.353.200109.2L8 L9 V11 F45 T47L8-Q60 HydrophobicContact CD1-CB 4.23Å; L9-Q60 PolarHBondContact O-N 3.12Å; V11-Q60 PolarHBondContact N-O 3.27Å; F45-Q60 HydrophobicContact CB-CG 4.26Å; F45-Q60 HydrophobicContact CD2-CG 3.53Å; F45-Q60 HydrophobicContact CE2-CG 4.12Å; F45-Q60 VanDerWaalsContact CE2-NE2 3.29Å; F45-Q60 HydrophobicContact CG-CG 4.05Å; T47-Q60 HydrophobicContact CG2-CB 4.34Å; T47-Q60 HydrophobicContact CG2-CG 4.26Å
61I98.1Very high89.3Confident0 Ų053.1 Ų53.10%026%0.257CS..EExtended strand (participates in β ladder)trans-102.2113.5-174.1-51.7165.6000108.2I13 M25 Y28 V29 F45 L46 M59 F166I13-I61 HydrophobicContact CD1-CG2 3.39Å; I13-I61 HydrophobicContact CG1-CG2 3.86Å; M25-I61 HydrophobicContact CB-CG2 4.41Å; M25-I61 HydrophobicContact CG-CB 4.24Å; M25-I61 HydrophobicContact CG-CG2 3.85Å; M25-I61 HydrophobicContact SD-CB 4.44Å; M25-I61 HydrophobicContact SD-CG2 4.21Å; M25-I61 VanDerWaalsContact SD-O 3.34Å; Y28-I61 HydrophobicContact CD1-CD1 3.59Å; Y28-I61 HydrophobicContact CE1-CD1 3.91Å; V29-I61 HydrophobicContact CG2-CD1 3.67Å; F45-I61 WeakPolarHBondContact CA-O 3.22Å; F45-I61 VanDerWaalsContact CB-O 3.3Å; F45-I61 WeakPolarHBondContact CB-O 3.48Å; L46-I61 PolarHBondContact N-O 2.94Å; L46-I61 PolarHBondContact O-N 2.64Å; M59-I61 HydrophobicContact CE-CD1 3.88Å; M59-I61 HydrophobicContact CE-CG1 4.12Å; M59-I61 HydrophobicContact CG-CG1 3.94Å; I61-F166 HydrophobicContact CD1-CD1 4.09Å; I61-F166 HydrophobicContact CD1-CE1 3.79Å; I61-F166 HydrophobicContact CG1-CE1 4.35Å; I61-F166 HydrophobicContact CG2-CE1 4.05Å
62W96.9Very high88.7Confident27 Ų2753.7 Ų53.710%0.10226%0.264CS..EExtended strand (participates in β ladder)trans-95.8114.6178.7-66.678.2000110.5V11 I12 I13 A43 D44 F45 F77V11-W62 PolarHBondContact O-N 2.91Å; I12-W62 HydrophobicContact CD1-CB 3.58Å; I12-W62 HydrophobicContact CD1-CG 3.73Å; I13-W62 PolarHBondContact N-O 3.39Å; A43-W62 HydrophobicContact CB-CE3 4.13Å; D44-W62 CarbonylContact O-C 3.54Å; D44-W62 WeakPolarHBondContact O-CA 3.19Å; F45-W62 HydrophobicContact CB-CD2 3.75Å; F45-W62 HydrophobicContact CB-CE3 3.99Å; F45-W62 HydrophobicContact CB-CG 4Å; F45-W62 HydrophobicContact CB-CZ3 4.45Å; F45-W62 HydrophobicContact CD1-CD2 4.41Å; F45-W62 HydrophobicContact CD1-CE3 4.18Å; F45-W62 AromaticContact CD1-CH2 3.62Å; F45-W62 HydrophobicContact CD1-CH2 3.62Å; F45-W62 AromaticContact CD1-CZ2 3.86Å; F45-W62 HydrophobicContact CD1-CZ2 3.86Å; F45-W62 AromaticContact CD1-CZ3 3.79Å; F45-W62 HydrophobicContact CD1-CZ3 3.79Å; F45-W62 HydrophobicContact CE1-CH2 4.07Å; F45-W62 HydrophobicContact CE1-CZ2 4.34Å; F45-W62 HydrophobicContact CG-CD2 4.33Å; F45-W62 HydrophobicContact CG-CE3 4.48Å; F45-W62 HydrophobicContact CG-CH2 4.36Å; F45-W62 HydrophobicContact CG-CZ2 4.21Å; F45-W62 HydrophobicContact CG-CZ3 4.49Å; W62-F77 HydrophobicContact CD2-CB 4.47Å; W62-F77 HydrophobicContact CE3-CB 4.06Å; W62-F77 AromaticContact CE3-CD1 3.79Å; W62-F77 HydrophobicContact CE3-CD1 3.79Å; W62-F77 HydrophobicContact CE3-CE1 4.4Å; W62-F77 AromaticContact CE3-CG 3.89Å; W62-F77 HydrophobicContact CE3-CG 3.89Å; W62-F77 AromaticContact CH2-CD1 3.53Å; W62-F77 HydrophobicContact CH2-CD1 3.53Å; W62-F77 AromaticContact CH2-CE1 3.81Å; W62-F77 HydrophobicContact CH2-CE1 3.81Å; W62-F77 HydrophobicContact CH2-CG 4.43Å; W62-F77 HydrophobicContact CZ2-CD1 4.4Å; W62-F77 HydrophobicContact CZ3-CB 4.3Å; W62-F77 AromaticContact CZ3-CD1 3.15Å; W62-F77 HydrophobicContact CZ3-CD1 3.15Å; W62-F77 HydrophobicContact CZ3-CD2 4.47Å; W62-F77 AromaticContact CZ3-CE1 3.44Å; W62-F77 HydrophobicContact CZ3-CE1 3.44Å; W62-F77 VanDerWaalsContact CZ3-CE1 3.44Å; W62-F77 AromaticContact CZ3-CG 3.73Å; W62-F77 HydrophobicContact CZ3-CG 3.73Å; W62-F77 HydrophobicContact CZ3-CZ 4.22Å
63D94.1Very high88.1Confident1 Ų157.7 Ų57.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-85.4134.1166.7179.545000109.5K21 T22 M25 T40 A43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.46Å; T22-D63 WeakPolarHBondContact CA-OD2 3.48Å; T22-D63 VanDerWaalsContact CB-OD2 3.29Å; T22-D63 WeakPolarHBondContact CB-OD2 3.28Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.24Å; T22-D63 PolarHBondContact N-OD1 3.37Å; T22-D63 PolarHBondContact OG1-OD2 3.48Å; M25-D63 HydrophobicContact CE-CB 3.58Å; M25-D63 HydrophobicContact SD-CB 3.67Å; T40-D63 PolarHBondContact OG1-OD2 2.95Å; A43-D63 CarbonylContact C-O 3.55Å; A43-D63 WeakPolarHBondContact CA-O 3.25Å; A43-D63 WeakPolarHBondContact CB-O 3.44Å; D44-D63 PolarHBondContact N-O 3.04Å; D44-D63 PolarHBondContact O-N 2.93Å
64T91Very high87.6Confident1 Ų153.1 Ų53.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-120.4156.2-175.365.90000111.6I12 I13 L14 K21 A43 G66 Y78I12-T64 HydrophobicContact CG2-CG2 4.01Å; I13-T64 PolarHBondContact O-OG1 3.1Å; L14-T64 HydrophobicContact CD2-CG2 3.97Å; L14-T64 VanDerWaalsContact CD2-OG1 3.24Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.43Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; A43-T64 HydrophobicContact CB-CG2 4.34Å; T64-G66 PolarHBondContact O-N 3.1Å; T64-Y78 HydrophobicContact CG2-CE1 4.23Å
65A88.2Confident87.5Confident1 Ų147.5 Ų47.51%0.00823%0.232CC..  trans-60.7125.2173.100000110.9T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.39Å; G42-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 PolarHBondContact O-N 3.13Å; A65-Q67 VanDerWaalsContact C-N 3.33Å; A65-F70 HydrophobicContact CB-CB 3.72Å
66G78.3Confident87.3Confident12 Ų1247.8 Ų47.812%0.12425%0.25CS..  trans-89.94.8173.900000114.4G15 S17 K21 T64G15-G66 WeakPolarHBondContact O-CA 3.34Å; S17-G66 PolarHBondContact N-O 3.28Å; K21-G66 VanDerWaalsContact NZ-CA 3.34Å; T64-G66 PolarHBondContact O-N 3.1Å
67Q84.2Confident87.2Confident78 Ų7845.8 Ų45.836%0.36424%0.237SC..SBendtrans-98128.3-179.2-77.5-71.6-13.900109.1S17 A65 R69 F70 Q71S17-Q67 PolarHBondContact OG-NE2 3.26Å; A65-Q67 VanDerWaalsContact C-N 3.33Å; Q67-R69 VanDerWaalsContact C-N 3.31Å; Q67-R69 HydrophobicContact CB-CG 4.33Å; Q67-R69 PolarHBondContact O-N 2.94Å; Q67-F70 HydrophobicContact CB-CD2 3.87Å; Q67-F70 CarbonylContact O-C 3.58Å; Q67-F70 WeakPolarHBondContact O-CA 3.5Å; Q67-F70 PolarHBondContact O-N 3.18Å; Q67-Q71 PolarHBondContact O-N 3.03Å
68E77.4Confident87.2Confident157 Ų15745.8 Ų45.873%0.73424%0.237SC*.Hα-helixtrans-53.2-46-175.1-145.7-178.7-163.900112.5F70 Q71E68-F70 PolarHBondContact O-N 2.9Å; E68-Q71 WeakPolarHBondContact O-CB 3.26Å; E68-Q71 PolarHBondContact O-N 3.49Å
69R81.4Confident87Confident196 Ų19653.5 Ų53.574%0.7426%0.263SS*.Hα-helixtrans-58-15.3176.163.1178.9-96.7-179.3-2.8115.5Q67Q67-R69 VanDerWaalsContact C-N 3.31Å; Q67-R69 HydrophobicContact CB-CG 4.33Å; Q67-R69 PolarHBondContact O-N 2.94Å
70F81.6Confident86.8Confident38 Ų3856.1 Ų56.117%0.16729%0.29CS..Hα-helixtrans-119.6-1.9179.6-59.2-51.1000113I41 A65 Q67 E68 S72 L73I41-F70 HydrophobicContact CD1-CZ 4.46Å; I41-F70 HydrophobicContact CG1-CD2 4.5Å; I41-F70 HydrophobicContact CG1-CE2 4.18Å; I41-F70 HydrophobicContact CG1-CZ 4.3Å; I41-F70 HydrophobicContact CG2-CD1 4.35Å; I41-F70 HydrophobicContact CG2-CE1 4.4Å; A65-F70 HydrophobicContact CB-CB 3.72Å; Q67-F70 HydrophobicContact CB-CD2 3.87Å; Q67-F70 CarbonylContact O-C 3.58Å; Q67-F70 WeakPolarHBondContact O-CA 3.5Å; Q67-F70 PolarHBondContact O-N 3.18Å; E68-F70 PolarHBondContact O-N 2.9Å; F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.95Å; F70-L73 HydrophobicContact CD1-CD1 4.47Å; F70-L73 WeakPolarHBondContact O-CB 3.41Å; F70-L73 PolarHBondContact O-N 3.27Å; F70-L73 VanDerWaalsContact O-N 3.14Å
71Q74.7Confident86.7Confident36 Ų3655 Ų5517%0.16829%0.287CS..Hα-helixtrans-56.3-41.6-177.5-88.3171.8-19.200112.2Q67 E68 L73 G74 V75 W102Q67-Q71 PolarHBondContact O-N 3.03Å; E68-Q71 WeakPolarHBondContact O-CB 3.26Å; E68-Q71 PolarHBondContact O-N 3.49Å; Q71-L73 PolarHBondContact O-N 3.09Å; Q71-G74 PolarHBondContact O-N 2.82Å; Q71-V75 PolarHBondContact O-N 3.32Å; Q71-W102 HydrophobicContact CG-CH2 3.53Å; Q71-W102 HydrophobicContact CG-CZ2 4.42Å; Q71-W102 HydrophobicContact CG-CZ3 3.92Å
72S80.8Confident86.6Confident94 Ų9456 Ų5666%0.65729%0.292SS*.Hα-helixtrans-57.2-26.6-179.658.90000114.1F70F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.95Å
73L80.7Confident86.7Confident88 Ų8854.8 Ų54.846%0.46129%0.287SS..Hα-helixtrans-74.4-31175.6-64.4174000112.3I41 F70 Q71 F77I41-L73 HydrophobicContact CG2-CD1 4.25Å; F70-L73 HydrophobicContact CD1-CD1 4.47Å; F70-L73 WeakPolarHBondContact O-CB 3.41Å; F70-L73 PolarHBondContact O-N 3.27Å; F70-L73 VanDerWaalsContact O-N 3.14Å; Q71-L73 PolarHBondContact O-N 3.09Å; L73-F77 WeakPolarHBondContact O-CE2 3.41Å
74G77.8Confident86.9Confident1 Ų154.7 Ų54.71%0.0129%0.287CS..Hα-helixtrans-77.2-34.2178.400000113.1Q71 A76 F77 Y78Q71-G74 PolarHBondContact O-N 2.82Å; G74-A76 PolarHBondContact O-N 3.5Å; G74-A76 VanDerWaalsContact O-N 3.15Å; G74-F77 WeakPolarHBondContact O-CB 3.42Å; G74-F77 WeakPolarHBondContact O-CD2 3.27Å; G74-F77 PolarHBondContact O-N 3.36Å; G74-Y78 WeakPolarHBondContact O-CD1 3.35Å; G74-Y78 WeakPolarHBondContact O-CE1 3.46Å
75V83.9Confident87.3Confident25 Ų2554.7 Ų54.715%0.15229%0.286CS..Hα-helixtrans-54.8-35.1-176.9168.30000113Q71 F77 Y78 Q109Q71-V75 PolarHBondContact O-N 3.32Å; V75-F77 PolarHBondContact O-N 3.39Å; V75-Y78 HydrophobicContact CG2-CE2 4.01Å; V75-Y78 PolarHBondContact O-N 3Å; V75-Y78 VanDerWaalsContact O-N 3.12Å; V75-Q109 HydrophobicContact CG1-CB 3.75Å; V75-Q109 HydrophobicContact CG1-CG 3.6Å; V75-Q109 HydrophobicContact CG2-CG 4.41Å
76A86.2Confident87.8Confident81 Ų8154.6 Ų54.667%0.66929%0.286SS*.THydrogen-bonded Turntrans-58.2-20.817800000113.7G74G74-A76 PolarHBondContact O-N 3.5Å; G74-A76 VanDerWaalsContact O-N 3.15Å
77F89.3Confident88.7Confident68 Ų6854 Ų5430%0.29828%0.28SS..THydrogen-bonded Turntrans-95.9-5.8-177.4-57.8-77000113.9K10 A43 W62 L73 G74 V75 R79K10-F77 WeakPolarHBondContact CE-O 3.47Å; K10-F77 PolarHBondContact NZ-O 3.31Å; A43-F77 HydrophobicContact CB-CD2 3.47Å; A43-F77 VanDerWaalsContact CB-CD2 3.47Å; A43-F77 HydrophobicContact CB-CE2 3.68Å; A43-F77 HydrophobicContact CB-CG 4.16Å; W62-F77 HydrophobicContact CD2-CB 4.47Å; W62-F77 HydrophobicContact CE3-CB 4.06Å; W62-F77 AromaticContact CE3-CD1 3.79Å; W62-F77 HydrophobicContact CE3-CD1 3.79Å; W62-F77 HydrophobicContact CE3-CE1 4.4Å; W62-F77 AromaticContact CE3-CG 3.89Å; W62-F77 HydrophobicContact CE3-CG 3.89Å; W62-F77 AromaticContact CH2-CD1 3.53Å; W62-F77 HydrophobicContact CH2-CD1 3.53Å; W62-F77 AromaticContact CH2-CE1 3.81Å; W62-F77 HydrophobicContact CH2-CE1 3.81Å; W62-F77 HydrophobicContact CH2-CG 4.43Å; W62-F77 HydrophobicContact CZ2-CD1 4.4Å; W62-F77 HydrophobicContact CZ3-CB 4.3Å; W62-F77 AromaticContact CZ3-CD1 3.15Å; W62-F77 HydrophobicContact CZ3-CD1 3.15Å; W62-F77 HydrophobicContact CZ3-CD2 4.47Å; W62-F77 AromaticContact CZ3-CE1 3.44Å; W62-F77 HydrophobicContact CZ3-CE1 3.44Å; W62-F77 VanDerWaalsContact CZ3-CE1 3.44Å; W62-F77 AromaticContact CZ3-CG 3.73Å; W62-F77 HydrophobicContact CZ3-CG 3.73Å; W62-F77 HydrophobicContact CZ3-CZ 4.22Å; L73-F77 WeakPolarHBondContact O-CE2 3.41Å; G74-F77 WeakPolarHBondContact O-CB 3.42Å; G74-F77 WeakPolarHBondContact O-CD2 3.27Å; G74-F77 PolarHBondContact O-N 3.36Å; V75-F77 PolarHBondContact O-N 3.39Å; F77-R79 PolarHBondContact O-N 2.78Å
78Y94Very high89.4Confident1 Ų150.3 Ų50.30%0.00426%0.263CS..  trans-71.7-31.4-173-65.71.9000113.3I12 L14 T64 G74 V75 G80 A81 F106 Q109I12-Y78 HydrophobicContact CG2-CD1 3.96Å; I12-Y78 HydrophobicContact CG2-CE1 4.02Å; L14-Y78 HydrophobicContact CD1-CE2 4.25Å; L14-Y78 HydrophobicContact CD2-CE1 3.65Å; L14-Y78 VanDerWaalsContact CD2-OH 3.24Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.38Å; T64-Y78 HydrophobicContact CG2-CE1 4.23Å; G74-Y78 WeakPolarHBondContact O-CD1 3.35Å; G74-Y78 WeakPolarHBondContact O-CE1 3.46Å; V75-Y78 HydrophobicContact CG2-CE2 4.01Å; V75-Y78 PolarHBondContact O-N 3Å; V75-Y78 VanDerWaalsContact O-N 3.12Å; Y78-G80 PolarHBondContact O-N 2.81Å; Y78-A81 VanDerWaalsContact O-CB 3.23Å; Y78-A81 WeakPolarHBondContact O-CB 3.46Å; Y78-A81 PolarHBondContact O-N 3.16Å; Y78-F106 HydrophobicContact CD2-CB 4.45Å; Y78-F106 AromaticContact CD2-CD2 3.81Å; Y78-F106 HydrophobicContact CD2-CD2 3.81Å; Y78-F106 HydrophobicContact CD2-CG 4.49Å; Y78-F106 HydrophobicContact CE2-CD2 4.34Å; Y78-F106 AromaticContact CG-CD2 3.94Å; Y78-F106 HydrophobicContact CG-CD2 3.94Å; Y78-F106 HydrophobicContact CG-CE2 4.29Å; Y78-Q109 HydrophobicContact CD2-CB 3.85Å; Y78-Q109 HydrophobicContact CE2-CB 4.49Å
79R93.5Very high90.4Very high187 Ų18743.3 Ų43.371%0.70623%0.23SC*.THydrogen-bonded Turntrans-60.3136.1-178.3-172.9178.2-69.7142.7-0.2111.4K10 F77 A81K10-R79 PolarHBondContact NZ-O 3.43Å; F77-R79 PolarHBondContact O-N 2.78Å; R79-A81 VanDerWaalsContact C-N 3.25Å; R79-A81 PolarHBondContact O-N 3.44Å
80G92.9Very high91.3Very high55 Ų5534 Ų3457%0.56720%0.195SC*.THydrogen-bonded Turntrans71.119.9-179.500000113.7K10 Y78K10-G80 WeakPolarHBondContact CD-O 3.25Å; Y78-G80 PolarHBondContact O-N 2.81Å
81A96.1Very high92.1Very high9 Ų933.3 Ų33.37%0.07419%0.194CC..  trans-69138.7166.500000110K10 I12 Y78 R79 F106 F118K10-A81 CarbonylContact O-C 3.59Å; K10-A81 WeakPolarHBondContact O-CA 3.4Å; I12-A81 HydrophobicContact CD1-CB 4.44Å; I12-A81 HydrophobicContact CG1-CB 3.57Å; Y78-A81 VanDerWaalsContact O-CB 3.23Å; Y78-A81 WeakPolarHBondContact O-CB 3.46Å; Y78-A81 PolarHBondContact O-N 3.16Å; R79-A81 VanDerWaalsContact C-N 3.25Å; R79-A81 PolarHBondContact O-N 3.44Å; A81-F106 HydrophobicContact CB-CE2 4.03Å; A81-F106 HydrophobicContact CB-CZ 3.82Å; A81-F118 HydrophobicContact CB-CZ 4.27Å; A81-F118 VanDerWaalsContact O-CE2 3.25Å; A81-F118 WeakPolarHBondContact O-CE2 3.16Å; A81-F118 WeakPolarHBondContact O-CZ 3.24Å
82D96.5Very high93.2Very high21 Ų2134.2 Ų34.211%0.11220%0.2CC..SBendtrans-94.9-21.1176.7-56.6-60.6000111.6L9 K10 P119 A173 R176L9-D82 WeakPolarHBondContact CA-OD2 3.25Å; K10-D82 PolarHBondContact N-OD2 2.7Å; K10-D82 PolarHBondContact O-N 3.48Å; D82-P119 WeakPolarHBondContact O-CG 3.43Å; D82-A173 HydrophobicContact CB-CB 3.9Å; D82-R176 WeakPolarHBondContact O-CD 3.29Å
83C97.8Very high94Very high0 Ų031.6 Ų31.60%018%0.181CC..EExtended strand (participates in β ladder)trans-155150.6173.5-179.90000111.2K10 V11 I12 P119 I169 A173K10-C83 PolarHBondContact O-N 2.78Å; V11-C83 WeakPolarHBondContact CA-O 3.33Å; V11-C83 HydrophobicContact CG2-CB 4.5Å; I12-C83 PolarHBondContact N-O 2.95Å; C83-P119 WeakPolarHBondContact CA-O 3.29Å; C83-P119 HydrophobicContact CB-CG 4.18Å; C83-P119 PolarHBondContact SG-O 3.37Å; C83-I169 HydrophobicContact CB-CG2 4.37Å; C83-A173 HydrophobicContact CB-CB 3.85Å
84C98.2Very high94.8Very high0 Ų032 Ų320%018%0.183CC..EExtended strand (participates in β ladder)trans-121.5129.3174.4-175.10000111.2I12 F106 F118 P119 F120 I121I12-C84 CarbonylContact O-C 3.55Å; I12-C84 WeakPolarHBondContact O-CA 3.42Å; C84-F106 HydrophobicContact CB-CD1 4.16Å; C84-F106 HydrophobicContact CB-CD2 4.16Å; C84-F106 HydrophobicContact CB-CE1 3.91Å; C84-F106 HydrophobicContact CB-CE2 3.89Å; C84-F106 HydrophobicContact CB-CG 4.27Å; C84-F106 HydrophobicContact CB-CZ 3.76Å; C84-F118 HydrophobicContact CB-CE1 3.8Å; C84-P119 PolarHBondContact N-O 3.31Å; C84-P119 VanDerWaalsContact N-O 3.1Å; C84-F120 HydrophobicContact CB-CD1 3.59Å; C84-F120 HydrophobicContact CB-CE1 3.55Å; C84-F120 HydrophobicContact CB-CZ 4.49Å; C84-F120 CarbonylContact O-C 3.58Å; C84-F120 VanDerWaalsContact O-CA 3.24Å; C84-F120 WeakPolarHBondContact O-CA 3.45Å; C84-I121 PolarHBondContact O-N 3.35Å
85V98.8Very high95.8Very high0 Ų031.9 Ų31.90%018%0.183CC..EExtended strand (participates in β ladder)trans-102.1121178-171.30000109V11 I12 I13 L14 V87 I121 L123 I169V11-V85 HydrophobicContact CG1-CG2 3.63Å; I12-V85 PolarHBondContact O-N 3.03Å; I13-V85 HydrophobicContact CG1-CB 4.19Å; I13-V85 HydrophobicContact CG1-CG2 4.39Å; I13-V85 HydrophobicContact CG2-CB 4.38Å; L14-V85 PolarHBondContact N-O 3.1Å; V85-V87 HydrophobicContact CG1-CG2 4.02Å; V85-I121 CarbonylContact C-O 3.57Å; V85-I121 WeakPolarHBondContact CA-O 3.23Å; V85-L123 HydrophobicContact CG1-CD1 3.49Å; V85-L123 VanDerWaalsContact CG1-CD1 3.49Å; V85-L123 HydrophobicContact CG1-CG 3.62Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.17Å; V85-I169 HydrophobicContact CG2-CD1 3.41Å; V85-I169 VanDerWaalsContact CG2-CD1 3.41Å; V85-I169 HydrophobicContact CG2-CG1 3.86Å; V85-I169 HydrophobicContact CG2-CG2 4.23Å
86L98.7Very high96.5Very high0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-99.6114.3177.4-66.1177.7000109.4L14 L99 W102 R103 F120 I121 V122 L123 W142L14-L86 HydrophobicContact CB-CD2 4.17Å; L86-L99 HydrophobicContact CB-CD2 4.08Å; L86-W102 HydrophobicContact CD2-CB 3.99Å; L86-R103 HydrophobicContact CD1-CB 3.92Å; L86-R103 HydrophobicContact CD1-CG 4.33Å; L86-F120 HydrophobicContact CD1-CD1 3.96Å; L86-F120 HydrophobicContact CG-CD1 4.07Å; L86-I121 PolarHBondContact N-O 3.26Å; L86-V122 HydrophobicContact CB-CG2 4.1Å; L86-V122 HydrophobicContact CD1-CG2 4.35Å; L86-V122 CarbonylContact O-C 3.57Å; L86-V122 VanDerWaalsContact O-CA 3.31Å; L86-V122 WeakPolarHBondContact O-CA 3.09Å; L86-L123 PolarHBondContact O-N 3.05Å; L86-W142 HydrophobicContact CD1-CH2 4.03Å
87V98.8Very high97.1Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-110.2132.4-175.6-170.70000110.5I13 L14 G15 V19 K21 L24 V85 L123 N125I13-V87 HydrophobicContact CG2-CG2 3.49Å; I13-V87 VanDerWaalsContact CG2-CG2 3.49Å; L14-V87 PolarHBondContact O-N 3.47Å; G15-V87 WeakPolarHBondContact CA-O 3.37Å; V19-V87 HydrophobicContact CB-CG1 4.31Å; V19-V87 HydrophobicContact CG2-CB 3.96Å; V19-V87 HydrophobicContact CG2-CG1 3.78Å; K21-V87 HydrophobicContact CG-CB 4.12Å; K21-V87 HydrophobicContact CG-CG2 4.24Å; L24-V87 HydrophobicContact CD1-CG1 3.63Å; L24-V87 HydrophobicContact CD1-CG2 4.03Å; V85-V87 HydrophobicContact CG1-CG2 4.02Å; V87-L123 WeakPolarHBondContact CA-O 3.32Å; V87-L123 HydrophobicContact CG1-CB 4.46Å; V87-L123 HydrophobicContact CG2-CB 4.3Å; V87-L123 HydrophobicContact CG2-CD1 4.42Å; V87-N125 HydrophobicContact CG1-CB 4.04Å
88F98.8Very high97.5Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-130.2164.4168.475.1-84000110.9V90 F96 L99 V122 L123 G124 N125 V134 A139 Y151F88-V90 HydrophobicContact CE2-CG1 3.96Å; F88-V90 HydrophobicContact CZ-CG1 4.39Å; F88-F96 HydrophobicContact CB-CB 4.39Å; F88-F96 AromaticContact CD1-CD2 3.86Å; F88-F96 HydrophobicContact CD1-CD2 3.86Å; F88-F96 HydrophobicContact CD2-CB 3.78Å; F88-F96 AromaticContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CG 4.28Å; F88-F96 AromaticContact CE1-CD2 3.72Å; F88-F96 HydrophobicContact CE1-CD2 3.72Å; F88-F96 HydrophobicContact CE1-CE2 4.12Å; F88-F96 HydrophobicContact CE2-CB 4.23Å; F88-F96 AromaticContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CG 4.34Å; F88-F96 HydrophobicContact CG-CB 4.12Å; F88-F96 AromaticContact CG-CD2 3.93Å; F88-F96 HydrophobicContact CG-CD2 3.93Å; F88-F96 AromaticContact CZ-CD2 3.69Å; F88-F96 HydrophobicContact CZ-CD2 3.69Å; F88-F96 HydrophobicContact CZ-CE2 4.17Å; F88-L99 HydrophobicContact CB-CD1 4.37Å; F88-L99 HydrophobicContact CB-CD2 4.22Å; F88-L99 HydrophobicContact CB-CG 4.43Å; F88-L99 HydrophobicContact CD1-CD1 3.78Å; F88-L99 HydrophobicContact CE1-CD1 4.44Å; F88-L99 HydrophobicContact CG-CD1 4.35Å; F88-V122 HydrophobicContact CD1-CG1 3.96Å; F88-V122 HydrophobicContact CE1-CG1 3.75Å; F88-L123 PolarHBondContact N-O 3.28Å; F88-G124 VanDerWaalsContact CE1-CA 3.47Å; F88-N125 PolarHBondContact O-N 3.48Å; F88-V134 HydrophobicContact CE2-CB 3.93Å; F88-V134 HydrophobicContact CE2-CG1 3.77Å; F88-V134 HydrophobicContact CE2-CG2 4.22Å; F88-V134 HydrophobicContact CZ-CG1 4.22Å; F88-A139 HydrophobicContact CE1-CB 4.4Å; F88-A139 HydrophobicContact CZ-CB 3.91Å; F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 AromaticContact CZ-CE2 4Å; F88-Y151 HydrophobicContact CZ-CE2 4Å
89D98.6Very high97.7Very high10 Ų1031.1 Ų31.15%0.05317%0.166CC..EExtended strand (participates in β ladder)trans-98.3121.6175.2174.2-11.5000109.1V19 T91 N92 S95 K126V19-D89 HydrophobicContact CB-CB 4.28Å; V19-D89 HydrophobicContact CG1-CB 4.18Å; D89-T91 VanDerWaalsContact CG-OG1 3.25Å; D89-T91 PolarHBondContact O-N 3.2Å; D89-T91 WeakPolarHBondContact OD1-CA 3.49Å; D89-T91 WeakPolarHBondContact OD1-CB 3.31Å; D89-T91 PolarHBondContact OD1-N 3.47Å; D89-T91 PolarHBondContact OD1-OG1 2.73Å; D89-T91 PolarHBondContact OD2-OG1 3.43Å; D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 CarbonylContact O-C 3.45Å; D89-N92 PolarHBondContact O-N 3.01Å; D89-S95 PolarHBondContact N-OG 3.28Å; D89-S95 PolarHBondContact O-OG 3.47Å; D89-K126 HydrophobicContact CB-CD 4.42Å; D89-K126 WeakPolarHBondContact OD2-CD 3.34Å; D89-K126 VanDerWaalsContact OD2-CE 3.23Å; D89-K126 WeakPolarHBondContact OD2-CE 3.41Å; D89-K126 IonicContact OD2-NZ 2.69Å; D89-K126 PolarHBondContact OD2-NZ 2.87Å
90V98.8Very high97.9Very high0 Ų024.7 Ų24.70%015%0.146CC..THydrogen-bonded Turntrans-62.9-16.3-177.4-58.80000113.6F88 N125 I127 R132 N133 V134F88-V90 HydrophobicContact CE2-CG1 3.96Å; F88-V90 HydrophobicContact CZ-CG1 4.39Å; V90-N125 WeakPolarHBondContact CG2-O 3.28Å; V90-N125 PolarHBondContact N-O 3.41Å; V90-I127 HydrophobicContact CG1-CG2 4.01Å; V90-I127 HydrophobicContact CG2-CG2 4.21Å; V90-R132 HydrophobicContact CB-CG 4.47Å; V90-N133 PolarHBondContact O-N 3.25Å; V90-V134 PolarHBondContact O-N 3.34Å
91T98.4Very high98Very high23 Ų2326.1 Ų26.114%0.14115%0.147CC..THydrogen-bonded Turntrans-89.5-13.1175.575.30000113D89 L129 N131 N133D89-T91 VanDerWaalsContact CG-OG1 3.25Å; D89-T91 PolarHBondContact O-N 3.2Å; D89-T91 WeakPolarHBondContact OD1-CA 3.49Å; D89-T91 WeakPolarHBondContact OD1-CB 3.31Å; D89-T91 PolarHBondContact OD1-N 3.47Å; D89-T91 PolarHBondContact OD1-OG1 2.73Å; D89-T91 PolarHBondContact OD2-OG1 3.43Å; T91-L129 HydrophobicContact CG2-CB 3.67Å; T91-L129 HydrophobicContact CG2-CD1 3.86Å; T91-L129 HydrophobicContact CG2-CG 4.4Å; T91-N131 WeakPolarHBondContact CB-O 3.32Å; T91-N131 WeakPolarHBondContact CG2-OD1 3.48Å; T91-N133 PolarHBondContact O-ND2 3.3Å
92N98.2Very high98Very high56 Ų5625.9 Ų25.930%0.29914%0.144SC..  trans-119.497.3-176.7-179.6-1.6000111.9D89 N94 S95D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 CarbonylContact O-C 3.45Å; D89-N92 PolarHBondContact O-N 3.01Å; N92-N94 PolarHBondContact O-N 2.89Å; N92-N94 WeakPolarHBondContact OD1-CB 3.46Å; N92-N94 PolarHBondContact OD1-N 3.38Å; N92-N94 VanDerWaalsContact OD1-N 3.08Å; N92-S95 PolarHBondContact O-N 2.93Å; N92-S95 VanDerWaalsContact O-N 3.15Å; N92-S95 PolarHBondContact O-OG 3.13Å; N92-S95 PolarHBondContact OD1-N 3.14Å
93P98.1Very high98Very high38 Ų3826.5 Ų26.525%0.24715%0.145CC..Hα-helixtrans-60.7-26.1-179.8-26.336.8000115.2F96 K97 N133 V134P93-F96 PolarHBondContact O-N 3.01Å; P93-K97 WeakPolarHBondContact O-CG 3.39Å; P93-K97 PolarHBondContact O-N 2.93Å; P93-K97 VanDerWaalsContact O-N 3.13Å; P93-N133 HydrophobicContact CG-CB 3.53Å; P93-V134 HydrophobicContact CB-CG2 4.29Å; P93-V134 HydrophobicContact CG-CG2 4.34Å
94N98.3Very high97.9Very high96 Ų9629.9 Ų29.951%0.51316%0.163SC..Hα-helixtrans-68.8-40.5178.5-67.9-24.2000110.4N92 F96 K97 S98N92-N94 PolarHBondContact O-N 2.89Å; N92-N94 WeakPolarHBondContact OD1-CB 3.46Å; N92-N94 PolarHBondContact OD1-N 3.38Å; N92-N94 VanDerWaalsContact OD1-N 3.08Å; N94-F96 PolarHBondContact O-N 2.99Å; N94-K97 WeakPolarHBondContact O-CB 3.39Å; N94-K97 PolarHBondContact O-N 3.46Å; N94-S98 PolarHBondContact O-N 3.4Å; N94-S98 PolarHBondContact O-OG 3.43Å
95S98.2Very high97.7Very high0 Ų032.4 Ų32.40%018%0.175CC..Hα-helixtrans-61-28.5176.1720000113.8D16 D89 N92D16-S95 WeakPolarHBondContact OD2-CA 3.15Å; D89-S95 PolarHBondContact N-OG 3.28Å; D89-S95 PolarHBondContact O-OG 3.47Å; N92-S95 PolarHBondContact O-N 2.93Å; N92-S95 VanDerWaalsContact O-N 3.15Å; N92-S95 PolarHBondContact O-OG 3.13Å; N92-S95 PolarHBondContact OD1-N 3.14Å
96F98.7Very high97.6Very high8 Ų832.4 Ų32.44%0.03518%0.175CC..Hα-helixtrans-75.6-40172.9179.8-104.9000112.3F88 P93 N94 S98 L99 V134 R138 A139 W142F88-F96 HydrophobicContact CB-CB 4.39Å; F88-F96 AromaticContact CD1-CD2 3.86Å; F88-F96 HydrophobicContact CD1-CD2 3.86Å; F88-F96 HydrophobicContact CD2-CB 3.78Å; F88-F96 AromaticContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CG 4.28Å; F88-F96 AromaticContact CE1-CD2 3.72Å; F88-F96 HydrophobicContact CE1-CD2 3.72Å; F88-F96 HydrophobicContact CE1-CE2 4.12Å; F88-F96 HydrophobicContact CE2-CB 4.23Å; F88-F96 AromaticContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CG 4.34Å; F88-F96 HydrophobicContact CG-CB 4.12Å; F88-F96 AromaticContact CG-CD2 3.93Å; F88-F96 HydrophobicContact CG-CD2 3.93Å; F88-F96 AromaticContact CZ-CD2 3.69Å; F88-F96 HydrophobicContact CZ-CD2 3.69Å; F88-F96 HydrophobicContact CZ-CE2 4.17Å; P93-F96 PolarHBondContact O-N 3.01Å; N94-F96 PolarHBondContact O-N 2.99Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.09Å; F96-L99 HydrophobicContact CD2-CD1 3.82Å; F96-L99 HydrophobicContact CE2-CD1 4.11Å; F96-L99 WeakPolarHBondContact O-CB 3.31Å; F96-L99 VanDerWaalsContact O-CG 3.29Å; F96-L99 WeakPolarHBondContact O-CG 3.38Å; F96-L99 PolarHBondContact O-N 2.97Å; F96-V134 HydrophobicContact CB-CG1 4.33Å; F96-V134 HydrophobicContact CB-CG2 3.94Å; F96-V134 HydrophobicContact CD1-CG1 4.12Å; F96-V134 HydrophobicContact CD2-CG1 4.13Å; F96-V134 HydrophobicContact CG-CG1 3.91Å; F96-V134 HydrophobicContact CG-CG2 4.39Å; F96-R138 HydrophobicContact CE1-CG 3.95Å; F96-R138 HydrophobicContact CZ-CG 4.4Å; F96-A139 HydrophobicContact CE2-CB 3.94Å; F96-A139 HydrophobicContact CZ-CB 4.36Å; F96-W142 HydrophobicContact CE1-CB 4.47Å; F96-W142 HydrophobicContact CE2-CB 4.41Å; F96-W142 HydrophobicContact CZ-CB 3.63Å; F96-W142 AromaticContact CZ-CG 3.93Å; F96-W142 HydrophobicContact CZ-CG 3.93Å
97K98.1Very high97.5Very high117 Ų11733.7 Ų33.751%0.50918%0.182SC..Hα-helixtrans-64.1-37.4176-68.1174.7-171.11750111.9P93 N94 L99P93-K97 WeakPolarHBondContact O-CG 3.39Å; P93-K97 PolarHBondContact O-N 2.93Å; P93-K97 VanDerWaalsContact O-N 3.13Å; N94-K97 WeakPolarHBondContact O-CB 3.39Å; N94-K97 PolarHBondContact O-N 3.46Å; K97-L99 PolarHBondContact O-N 2.9Å; K97-L99 VanDerWaalsContact O-N 3.15Å
98S97.6Very high97.3Very high33 Ų3339.2 Ų39.223%0.23121%0.21CC..THydrogen-bonded Turntrans-64.9-13.3179.3-53.70000113.5D16 N94 F96 D100 S101 W102D16-S98 WeakPolarHBondContact OD1-CB 3.42Å; D16-S98 PolarHBondContact OD1-OG 3.26Å; D16-S98 PolarHBondContact OD2-OG 2.98Å; D16-S98 VanDerWaalsContact OD2-OG 3.04Å; N94-S98 PolarHBondContact O-N 3.4Å; N94-S98 PolarHBondContact O-OG 3.43Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.09Å; S98-D100 VanDerWaalsContact C-N 3.25Å; S98-D100 PolarHBondContact O-N 2.95Å; S98-S101 PolarHBondContact O-N 2.96Å; S98-S101 VanDerWaalsContact O-N 3.14Å; S98-W102 PolarHBondContact O-N 3.46Å
99L98.2Very high97.1Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-60.7-33.4-178.8-66.1-171.7000113.2L86 F88 F96 K97 W102 R103 V122 W142L86-L99 HydrophobicContact CB-CD2 4.08Å; F88-L99 HydrophobicContact CB-CD1 4.37Å; F88-L99 HydrophobicContact CB-CD2 4.22Å; F88-L99 HydrophobicContact CB-CG 4.43Å; F88-L99 HydrophobicContact CD1-CD1 3.78Å; F88-L99 HydrophobicContact CE1-CD1 4.44Å; F88-L99 HydrophobicContact CG-CD1 4.35Å; F96-L99 HydrophobicContact CD2-CD1 3.82Å; F96-L99 HydrophobicContact CE2-CD1 4.11Å; F96-L99 WeakPolarHBondContact O-CB 3.31Å; F96-L99 VanDerWaalsContact O-CG 3.29Å; F96-L99 WeakPolarHBondContact O-CG 3.38Å; F96-L99 PolarHBondContact O-N 2.97Å; K97-L99 PolarHBondContact O-N 2.9Å; K97-L99 VanDerWaalsContact O-N 3.15Å; L99-W102 PolarHBondContact O-N 3.23Å; L99-R103 VanDerWaalsContact O-CB 3.32Å; L99-R103 WeakPolarHBondContact O-CB 3.27Å; L99-R103 PolarHBondContact O-N 2.85Å; L99-V122 HydrophobicContact CD1-CG1 4.01Å; L99-W142 HydrophobicContact CB-CH2 4.03Å; L99-W142 HydrophobicContact CB-CZ2 3.86Å
100D97.5Very high97Very high52 Ų5243.2 Ų43.228%0.27823%0.23SC..Hα-helixtrans-58.4-51.3173.7-75.7-69.7000110.4S98 W102 R103 D104 W142 K146S98-D100 VanDerWaalsContact C-N 3.25Å; S98-D100 PolarHBondContact O-N 2.95Å; D100-W102 PolarHBondContact O-N 3.14Å; D100-R103 PolarHBondContact O-N 3.07Å; D100-D104 WeakPolarHBondContact O-CB 3.41Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.02Å; D100-W142 PolarHBondContact OD1-NE1 2.92Å; D100-W142 PolarHBondContact OD2-NE1 3.47Å; D100-K146 WeakPolarHBondContact OD1-CE 3.41Å; D100-K146 IonicContact OD1-NZ 3.31Å; D100-K146 PolarHBondContact OD1-NZ 3.4Å
101S95.6Very high96.8Very high85 Ų8547.2 Ų47.259%0.59426%0.258SS*.Hα-helixtrans-61.3-43.9178.3-53.70000112.7S98 R103 D104 E105S98-S101 PolarHBondContact O-N 2.96Å; S98-S101 VanDerWaalsContact O-N 3.14Å; S101-R103 PolarHBondContact O-N 3.5Å; S101-D104 PolarHBondContact O-N 3.04Å; S101-E105 VanDerWaalsContact O-CB 3.25Å; S101-E105 WeakPolarHBondContact O-CB 3.25Å; S101-E105 PolarHBondContact O-N 3.44Å
102W96.1Very high96.6Very high5 Ų547 Ų472%0.01926%0.257CS..Hα-helixtrans-63.6-41178.6-76.7113.4000112.6L14 G15 D16 Q71 L86 S98 L99 D100 F106L14-W102 HydrophobicContact CB-CD2 4.37Å; L14-W102 HydrophobicContact CB-CE3 4.05Å; L14-W102 HydrophobicContact CD1-CE3 4.27Å; L14-W102 HydrophobicContact CD2-CE3 4.48Å; L14-W102 HydrophobicContact CD2-CZ3 4.45Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 VanDerWaalsContact O-CZ2 3.3Å; G15-W102 WeakPolarHBondContact O-CZ2 3.39Å; D16-W102 PolarHBondContact OD1-NE1 3.19Å; Q71-W102 HydrophobicContact CG-CH2 3.53Å; Q71-W102 HydrophobicContact CG-CZ2 4.42Å; Q71-W102 HydrophobicContact CG-CZ3 3.92Å; L86-W102 HydrophobicContact CD2-CB 3.99Å; S98-W102 PolarHBondContact O-N 3.46Å; L99-W102 PolarHBondContact O-N 3.23Å; D100-W102 PolarHBondContact O-N 3.14Å; W102-F106 WeakPolarHBondContact O-CB 3.3Å; W102-F106 PolarHBondContact O-N 3.3Å
103R97Very high96.3Very high34 Ų3453.1 Ų53.113%0.12828%0.276CS..Hα-helixtrans-65.9-48.3177.4-176.8-176.2170.1-78.7-1.1111.1L86 L99 D100 S101 F106 L107 F120L86-R103 HydrophobicContact CD1-CB 3.92Å; L86-R103 HydrophobicContact CD1-CG 4.33Å; L99-R103 VanDerWaalsContact O-CB 3.32Å; L99-R103 WeakPolarHBondContact O-CB 3.27Å; L99-R103 PolarHBondContact O-N 2.85Å; D100-R103 PolarHBondContact O-N 3.07Å; S101-R103 PolarHBondContact O-N 3.5Å; R103-F106 PolarHBondContact O-N 3.12Å; R103-L107 HydrophobicContact CG-CD1 4.44Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 2.71Å; R103-F120 HydrophobicContact CG-CD1 4.43Å; R103-F120 HydrophobicContact CG-CE1 3.95Å; R103-F120 HydrophobicContact CG-CE2 4.18Å; R103-F120 HydrophobicContact CG-CZ 3.81Å
104D95.7Very high96.1Very high71 Ų7154.2 Ų54.238%0.3828%0.28SS..Hα-helixtrans-68.7-41-175.4-66.6-10.2000111.1D100 S101 F106 L107 I108D100-D104 WeakPolarHBondContact O-CB 3.41Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.02Å; S101-D104 PolarHBondContact O-N 3.04Å; D104-F106 PolarHBondContact O-N 3.31Å; D104-L107 PolarHBondContact O-N 3.32Å; D104-I108 WeakPolarHBondContact O-CD1 3.18Å; D104-I108 VanDerWaalsContact O-CG1 3.31Å; D104-I108 WeakPolarHBondContact O-CG1 3.24Å; D104-I108 PolarHBondContact O-N 3.45Å; D104-I108 VanDerWaalsContact O-N 3.09Å
105E94.2Very high95.9Very high53 Ų5352.2 Ų52.225%0.24827%0.272CS..Hα-helixtrans-59.2-46.9171.8-179.2177.9-129.900111.3S101 L107 I108 Q109S101-E105 VanDerWaalsContact O-CB 3.25Å; S101-E105 WeakPolarHBondContact O-CB 3.25Å; S101-E105 PolarHBondContact O-N 3.44Å; E105-L107 PolarHBondContact O-N 2.95Å; E105-I108 PolarHBondContact O-N 3.03Å; E105-Q109 HydrophobicContact CG-CG 4.08Å; E105-Q109 WeakPolarHBondContact O-CB 3.24Å; E105-Q109 VanDerWaalsContact O-CG 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.35Å; E105-Q109 PolarHBondContact O-N 2.81Å
106F96Very high95.6Very high0 Ų059.4 Ų59.40%031%0.306CS..Hα-helixtrans-57.8-48.1177.9175.8-87.9000111.7I12 L14 Y78 A81 C84 W102 R103 D104 I108 Q109 A110 F118 F120I12-F106 HydrophobicContact CB-CE2 4.24Å; I12-F106 HydrophobicContact CG1-CE2 4.17Å; L14-F106 HydrophobicContact CD1-CB 3.75Å; L14-F106 HydrophobicContact CD1-CD2 3.93Å; L14-F106 HydrophobicContact CD1-CG 4.2Å; Y78-F106 HydrophobicContact CD2-CB 4.45Å; Y78-F106 AromaticContact CD2-CD2 3.81Å; Y78-F106 HydrophobicContact CD2-CD2 3.81Å; Y78-F106 HydrophobicContact CD2-CG 4.49Å; Y78-F106 HydrophobicContact CE2-CD2 4.34Å; Y78-F106 AromaticContact CG-CD2 3.94Å; Y78-F106 HydrophobicContact CG-CD2 3.94Å; Y78-F106 HydrophobicContact CG-CE2 4.29Å; A81-F106 HydrophobicContact CB-CE2 4.03Å; A81-F106 HydrophobicContact CB-CZ 3.82Å; C84-F106 HydrophobicContact CB-CD1 4.16Å; C84-F106 HydrophobicContact CB-CD2 4.16Å; C84-F106 HydrophobicContact CB-CE1 3.91Å; C84-F106 HydrophobicContact CB-CE2 3.89Å; C84-F106 HydrophobicContact CB-CG 4.27Å; C84-F106 HydrophobicContact CB-CZ 3.76Å; W102-F106 WeakPolarHBondContact O-CB 3.3Å; W102-F106 PolarHBondContact O-N 3.3Å; R103-F106 PolarHBondContact O-N 3.12Å; D104-F106 PolarHBondContact O-N 3.31Å; F106-I108 VanDerWaalsContact C-N 3.32Å; F106-I108 PolarHBondContact O-N 2.83Å; F106-Q109 PolarHBondContact O-N 2.84Å; F106-A110 HydrophobicContact CD1-CB 4.23Å; F106-A110 HydrophobicContact CD2-CB 4.34Å; F106-A110 HydrophobicContact CE1-CB 3.83Å; F106-A110 HydrophobicContact CE2-CB 3.96Å; F106-A110 HydrophobicContact CG-CB 4.49Å; F106-A110 HydrophobicContact CZ-CB 3.69Å; F106-A110 WeakPolarHBondContact O-CB 3.34Å; F106-A110 PolarHBondContact O-N 2.77Å; F106-F118 HydrophobicContact CD1-CE1 4.33Å; F106-F118 AromaticContact CE1-CD1 3.66Å; F106-F118 HydrophobicContact CE1-CD1 3.66Å; F106-F118 AromaticContact CE1-CE1 3.24Å; F106-F118 HydrophobicContact CE1-CE1 3.24Å; F106-F118 HydrophobicContact CE1-CE2 4.18Å; F106-F118 HydrophobicContact CE1-CG 4.3Å; F106-F118 AromaticContact CE1-CZ 3.54Å; F106-F118 HydrophobicContact CE1-CZ 3.54Å; F106-F118 HydrophobicContact CZ-CD1 4.38Å; F106-F118 AromaticContact CZ-CE1 3.51Å; F106-F118 HydrophobicContact CZ-CE1 3.51Å; F106-F118 HydrophobicContact CZ-CE2 4.26Å; F106-F118 AromaticContact CZ-CZ 3.44Å; F106-F118 HydrophobicContact CZ-CZ 3.44Å; F106-F118 VanDerWaalsContact CZ-CZ 3.44Å; F106-F120 AromaticContact CD1-CE1 3.7Å; F106-F120 HydrophobicContact CD1-CE1 3.7Å; F106-F120 AromaticContact CD1-CZ 3.52Å; F106-F120 HydrophobicContact CD1-CZ 3.52Å; F106-F120 HydrophobicContact CE1-CE1 4.23Å; F106-F120 HydrophobicContact CE1-CZ 4Å; F106-F120 HydrophobicContact CG-CE1 4.25Å; F106-F120 HydrophobicContact CG-CZ 4.43Å
107L96.8Very high95.3Very high27 Ų2763.5 Ų63.514%0.14133%0.328CS..Hα-helixtrans-61.2-41.1-178.8-73.6178.4000112.1R103 D104 E105 S111 P112 P115 F118 F120R103-L107 HydrophobicContact CG-CD1 4.44Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 2.71Å; D104-L107 PolarHBondContact O-N 3.32Å; E105-L107 PolarHBondContact O-N 2.95Å; L107-S111 WeakPolarHBondContact O-CA 3.46Å; L107-S111 PolarHBondContact O-N 2.8Å; L107-S111 VanDerWaalsContact O-N 3.16Å; L107-P112 HydrophobicContact CD2-CG 3.98Å; L107-P112 WeakPolarHBondContact O-CD 3.49Å; L107-P115 HydrophobicContact CD2-CB 4.06Å; L107-F118 HydrophobicContact CD2-CB 4.23Å; L107-F120 HydrophobicContact CD1-CE2 4.45Å; L107-F120 HydrophobicContact CD1-CZ 4.49Å; L107-F120 HydrophobicContact CD2-CE2 3.75Å; L107-F120 HydrophobicContact CD2-CZ 3.71Å; L107-F120 HydrophobicContact CG-CE2 4.17Å; L107-F120 HydrophobicContact CG-CZ 3.87Å
108I95.2Very high95.2Very high115 Ų11558.5 Ų58.559%0.5931%0.306SS*.Hα-helixtrans-63.3-50.4176.3-67.7165000110.3D104 E105 F106 S111D104-I108 WeakPolarHBondContact O-CD1 3.18Å; D104-I108 VanDerWaalsContact O-CG1 3.31Å; D104-I108 WeakPolarHBondContact O-CG1 3.24Å; D104-I108 PolarHBondContact O-N 3.45Å; D104-I108 VanDerWaalsContact O-N 3.09Å; E105-I108 PolarHBondContact O-N 3.03Å; F106-I108 VanDerWaalsContact C-N 3.32Å; F106-I108 PolarHBondContact O-N 2.83Å; I108-S111 PolarHBondContact O-OG 2.83Å
109Q94.8Very high95.2Very high85 Ų8557.8 Ų57.840%0.39730%0.301SS..Hα-helixtrans-81.8-36.8-169.2-62.9-62.3-24.300114.1V75 Y78 E105 F106 S111V75-Q109 HydrophobicContact CG1-CB 3.75Å; V75-Q109 HydrophobicContact CG1-CG 3.6Å; V75-Q109 HydrophobicContact CG2-CG 4.41Å; Y78-Q109 HydrophobicContact CD2-CB 3.85Å; Y78-Q109 HydrophobicContact CE2-CB 4.49Å; E105-Q109 HydrophobicContact CG-CG 4.08Å; E105-Q109 WeakPolarHBondContact O-CB 3.24Å; E105-Q109 VanDerWaalsContact O-CG 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.35Å; E105-Q109 PolarHBondContact O-N 2.81Å; F106-Q109 PolarHBondContact O-N 2.84Å; Q109-S111 VanDerWaalsContact C-N 3.29Å
110A95.3Very high95.3Very high9 Ų958 Ų587%0.07430%0.302CS..Hα-helixtrans-69.1-33172.300000111.1F106F106-A110 HydrophobicContact CD1-CB 4.23Å; F106-A110 HydrophobicContact CD2-CB 4.34Å; F106-A110 HydrophobicContact CE1-CB 3.83Å; F106-A110 HydrophobicContact CE2-CB 3.96Å; F106-A110 HydrophobicContact CG-CB 4.49Å; F106-A110 HydrophobicContact CZ-CB 3.69Å; F106-A110 WeakPolarHBondContact O-CB 3.34Å; F106-A110 PolarHBondContact O-N 2.77Å
111S94.5Very high95.3Very high85 Ų8555.6 Ų55.659%0.59429%0.289SS*.  trans45.856-174.2-60.50000112L107 I108 Q109L107-S111 WeakPolarHBondContact O-CA 3.46Å; L107-S111 PolarHBondContact O-N 2.8Å; L107-S111 VanDerWaalsContact O-N 3.16Å; I108-S111 PolarHBondContact O-OG 2.83Å; Q109-S111 VanDerWaalsContact C-N 3.29Å
112P94Very high95.5Very high19 Ų1951.5 Ų51.512%0.12326%0.26CS..  trans-61.8149.9178.328.9-34.9000110.4L107 D114 P115 F118L107-P112 HydrophobicContact CD2-CG 3.98Å; L107-P112 WeakPolarHBondContact O-CD 3.49Å; P112-D114 PolarHBondContact O-N 2.78Å; P112-P115 HydrophobicContact CG-CB 4.13Å; P112-P115 HydrophobicContact CG-CG 4.15Å; P112-P115 WeakPolarHBondContact O-CD 3.5Å; P112-P115 WeakPolarHBondContact O-CG 3.42Å; P112-F118 HydrophobicContact CB-CD2 3.45Å; P112-F118 VanDerWaalsContact CB-CD2 3.45Å; P112-F118 HydrophobicContact CB-CE2 4.05Å; P112-F118 HydrophobicContact CB-CG 4.26Å; P112-F118 HydrophobicContact CG-CB 4.25Å; P112-F118 HydrophobicContact CG-CD2 3.85Å; P112-F118 HydrophobicContact CG-CG 4.19Å
113R92.2Very high95.6Very high184 Ų18451.3 Ų51.369%0.69426%0.26SS*.SBendtrans-59.6-35.2-179.7-70.2-178.4177.7169.6-0.7113.1
114D93.4Very high95.7Very high60 Ų6049.7 Ų49.732%0.32125%0.253SS..  trans-125.188.8175-176.1-7.1000108.7P112 E116 N117 F118P112-D114 PolarHBondContact O-N 2.78Å; D114-E116 VanDerWaalsContact C-N 3.33Å; D114-E116 PolarHBondContact OD1-N 2.89Å; D114-N117 PolarHBondContact OD1-N 3.11Å; D114-N117 VanDerWaalsContact OD1-N 3.08Å; D114-N117 PolarHBondContact OD1-ND2 2.94Å; D114-N117 WeakPolarHBondContact OD2-CB 3.32Å; D114-N117 PolarHBondContact OD2-ND2 2.95Å; D114-F118 PolarHBondContact O-N 2.86Å
115P94.1Very high95.8Very high54 Ų5446.5 Ų46.535%0.35124%0.236SC..SBendtrans-68.1-27.9177.8-20.132.7000114.2L107 P112L107-P115 HydrophobicContact CD2-CB 4.06Å; P112-P115 HydrophobicContact CG-CB 4.13Å; P112-P115 HydrophobicContact CG-CG 4.15Å; P112-P115 WeakPolarHBondContact O-CD 3.5Å; P112-P115 WeakPolarHBondContact O-CG 3.42Å
116E92.3Very high96Very high152 Ų15246.4 Ų46.471%0.7124%0.235SC*.SBendtrans-73.8-37.2-175.6-64.5-172.1162.400111D114 N147D114-E116 VanDerWaalsContact C-N 3.33Å; D114-E116 PolarHBondContact OD1-N 2.89Å; E116-N147 PolarHBondContact O-ND2 3.22Å; E116-N147 VanDerWaalsContact O-ND2 3.07Å
117N92.9Very high96.2Very high94 Ų9448.3 Ų48.350%0.50325%0.245SC..SBendtrans-10517.3177.2-51.5-62.2000113.1D114D114-N117 PolarHBondContact OD1-N 3.11Å; D114-N117 VanDerWaalsContact OD1-N 3.08Å; D114-N117 PolarHBondContact OD1-ND2 2.94Å; D114-N117 WeakPolarHBondContact OD2-CB 3.32Å; D114-N117 PolarHBondContact OD2-ND2 2.95Å
118F96.7Very high96.2Very high11 Ų1149.4 Ų49.45%0.04825%0.251CS..  trans-63.4127.9174.6-171.9-86.9000110.8A81 C84 F106 L107 P112 D114 F120A81-F118 HydrophobicContact CB-CZ 4.27Å; A81-F118 VanDerWaalsContact O-CE2 3.25Å; A81-F118 WeakPolarHBondContact O-CE2 3.16Å; A81-F118 WeakPolarHBondContact O-CZ 3.24Å; C84-F118 HydrophobicContact CB-CE1 3.8Å; F106-F118 HydrophobicContact CD1-CE1 4.33Å; F106-F118 AromaticContact CE1-CD1 3.66Å; F106-F118 HydrophobicContact CE1-CD1 3.66Å; F106-F118 AromaticContact CE1-CE1 3.24Å; F106-F118 HydrophobicContact CE1-CE1 3.24Å; F106-F118 HydrophobicContact CE1-CE2 4.18Å; F106-F118 HydrophobicContact CE1-CG 4.3Å; F106-F118 AromaticContact CE1-CZ 3.54Å; F106-F118 HydrophobicContact CE1-CZ 3.54Å; F106-F118 HydrophobicContact CZ-CD1 4.38Å; F106-F118 AromaticContact CZ-CE1 3.51Å; F106-F118 HydrophobicContact CZ-CE1 3.51Å; F106-F118 HydrophobicContact CZ-CE2 4.26Å; F106-F118 AromaticContact CZ-CZ 3.44Å; F106-F118 HydrophobicContact CZ-CZ 3.44Å; F106-F118 VanDerWaalsContact CZ-CZ 3.44Å; L107-F118 HydrophobicContact CD2-CB 4.23Å; P112-F118 HydrophobicContact CB-CD2 3.45Å; P112-F118 VanDerWaalsContact CB-CD2 3.45Å; P112-F118 HydrophobicContact CB-CE2 4.05Å; P112-F118 HydrophobicContact CB-CG 4.26Å; P112-F118 HydrophobicContact CG-CB 4.25Å; P112-F118 HydrophobicContact CG-CD2 3.85Å; P112-F118 HydrophobicContact CG-CG 4.19Å; D114-F118 PolarHBondContact O-N 2.86Å; F118-F120 HydrophobicContact CB-CE2 4.13Å; F118-F120 AromaticContact CD1-CD2 3.93Å; F118-F120 HydrophobicContact CD1-CD2 3.93Å; F118-F120 HydrophobicContact CD1-CE1 4.41Å; F118-F120 AromaticContact CD1-CE2 3.58Å; F118-F120 HydrophobicContact CD1-CE2 3.58Å; F118-F120 HydrophobicContact CD1-CG 4.48Å; F118-F120 AromaticContact CD1-CZ 3.85Å; F118-F120 HydrophobicContact CD1-CZ 3.85Å; F118-F120 HydrophobicContact CE1-CZ 4.45Å; F118-F120 HydrophobicContact CG-CE2 4.28Å; F118-F120 WeakPolarHBondContact O-CD2 3.3Å; F118-F120 PolarHBondContact O-N 2.63Å; F118-F120 VanDerWaalsContact O-N 3.16Å
119P97.6Very high96.3Very high18 Ų1847 Ų4712%0.11724%0.239CC..  trans-73.2113.8-17529.3-34.6000110.7D82 C83 C84 D172 R176D82-P119 WeakPolarHBondContact O-CG 3.43Å; C83-P119 WeakPolarHBondContact CA-O 3.29Å; C83-P119 HydrophobicContact CB-CG 4.18Å; C83-P119 PolarHBondContact SG-O 3.37Å; C84-P119 PolarHBondContact N-O 3.31Å; C84-P119 VanDerWaalsContact N-O 3.1Å; P119-D172 HydrophobicContact CB-CB 3.94Å; P119-R176 HydrophobicContact CG-CB 4.31Å
120F98.6Very high96.1Very high6 Ų647.1 Ų47.13%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-107.8151.5167.2-71.4-88.5000110.1C84 L86 R103 F106 L107 F118 I149 P150C84-F120 HydrophobicContact CB-CD1 3.59Å; C84-F120 HydrophobicContact CB-CE1 3.55Å; C84-F120 HydrophobicContact CB-CZ 4.49Å; C84-F120 CarbonylContact O-C 3.58Å; C84-F120 VanDerWaalsContact O-CA 3.24Å; C84-F120 WeakPolarHBondContact O-CA 3.45Å; L86-F120 HydrophobicContact CD1-CD1 3.96Å; L86-F120 HydrophobicContact CG-CD1 4.07Å; R103-F120 HydrophobicContact CG-CD1 4.43Å; R103-F120 HydrophobicContact CG-CE1 3.95Å; R103-F120 HydrophobicContact CG-CE2 4.18Å; R103-F120 HydrophobicContact CG-CZ 3.81Å; F106-F120 AromaticContact CD1-CE1 3.7Å; F106-F120 HydrophobicContact CD1-CE1 3.7Å; F106-F120 AromaticContact CD1-CZ 3.52Å; F106-F120 HydrophobicContact CD1-CZ 3.52Å; F106-F120 HydrophobicContact CE1-CE1 4.23Å; F106-F120 HydrophobicContact CE1-CZ 4Å; F106-F120 HydrophobicContact CG-CE1 4.25Å; F106-F120 HydrophobicContact CG-CZ 4.43Å; L107-F120 HydrophobicContact CD1-CE2 4.45Å; L107-F120 HydrophobicContact CD1-CZ 4.49Å; L107-F120 HydrophobicContact CD2-CE2 3.75Å; L107-F120 HydrophobicContact CD2-CZ 3.71Å; L107-F120 HydrophobicContact CG-CE2 4.17Å; L107-F120 HydrophobicContact CG-CZ 3.87Å; F118-F120 HydrophobicContact CB-CE2 4.13Å; F118-F120 AromaticContact CD1-CD2 3.93Å; F118-F120 HydrophobicContact CD1-CD2 3.93Å; F118-F120 HydrophobicContact CD1-CE1 4.41Å; F118-F120 AromaticContact CD1-CE2 3.58Å; F118-F120 HydrophobicContact CD1-CE2 3.58Å; F118-F120 HydrophobicContact CD1-CG 4.48Å; F118-F120 AromaticContact CD1-CZ 3.85Å; F118-F120 HydrophobicContact CD1-CZ 3.85Å; F118-F120 HydrophobicContact CE1-CZ 4.45Å; F118-F120 HydrophobicContact CG-CE2 4.28Å; F118-F120 WeakPolarHBondContact O-CD2 3.3Å; F118-F120 PolarHBondContact O-N 2.63Å; F118-F120 VanDerWaalsContact O-N 3.16Å; F120-I149 HydrophobicContact CB-CD1 3.78Å; F120-I149 HydrophobicContact CB-CG1 4.01Å; F120-I149 HydrophobicContact CB-CG2 4.1Å; F120-I149 HydrophobicContact CG-CD1 4.37Å; F120-I149 WeakPolarHBondContact O-CG2 3.08Å; F120-P150 WeakPolarHBondContact O-CD 3.49Å
121I98.7Very high96.1Very high0 Ų051.1 Ų51.10%028%0.284CS..EExtended strand (participates in β ladder)trans-133.7136.4168-69.1170000108.8C84 V85 L86 L123 P150 F152 K168 I169C84-I121 PolarHBondContact O-N 3.35Å; V85-I121 CarbonylContact C-O 3.57Å; V85-I121 WeakPolarHBondContact CA-O 3.23Å; L86-I121 PolarHBondContact N-O 3.26Å; I121-L123 HydrophobicContact CG2-CD2 3.91Å; I121-P150 HydrophobicContact CG1-CB 4.18Å; I121-P150 HydrophobicContact CG1-CG 4.27Å; I121-F152 HydrophobicContact CG2-CD2 4.03Å; I121-F152 HydrophobicContact CG2-CE2 4.32Å; I121-K168 HydrophobicContact CD1-CB 4.37Å; I121-K168 HydrophobicContact CD1-CG 4Å; I121-I169 HydrophobicContact CB-CG1 4.15Å; I121-I169 HydrophobicContact CD1-CB 3.9Å; I121-I169 HydrophobicContact CD1-CG1 3.32Å; I121-I169 HydrophobicContact CG1-CG1 4.29Å; I121-I169 HydrophobicContact CG2-CG1 4.21Å
122V98.9Very high96.3Very high0 Ų051.1 Ų51.10%027%0.27CS..EExtended strand (participates in β ladder)trans-104.8129.2179.71770000110.3L86 F88 L99 W142 I149 P150 Y151 F152L86-V122 HydrophobicContact CB-CG2 4.1Å; L86-V122 HydrophobicContact CD1-CG2 4.35Å; L86-V122 CarbonylContact O-C 3.57Å; L86-V122 VanDerWaalsContact O-CA 3.31Å; L86-V122 WeakPolarHBondContact O-CA 3.09Å; F88-V122 HydrophobicContact CD1-CG1 3.96Å; F88-V122 HydrophobicContact CE1-CG1 3.75Å; L99-V122 HydrophobicContact CD1-CG1 4.01Å; V122-W142 HydrophobicContact CG2-CE3 4.36Å; V122-W142 HydrophobicContact CG2-CZ3 3.65Å; V122-I149 HydrophobicContact CB-CG2 4.27Å; V122-I149 HydrophobicContact CG2-CG2 3.53Å; V122-P150 PolarHBondContact N-O 3.3Å; V122-Y151 HydrophobicContact CB-CD2 4.05Å; V122-Y151 HydrophobicContact CG1-CD2 3.76Å; V122-Y151 HydrophobicContact CG1-CE2 4.14Å; V122-Y151 WeakPolarHBondContact O-CA 3.14Å; V122-Y151 WeakPolarHBondContact O-CD2 3.49Å; V122-F152 PolarHBondContact O-N 3.03Å
123L98.9Very high96.5Very high1 Ų155 Ų551%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-114.2113.4175.8-53.6-174.9000110.4L24 V85 L86 V87 F88 I121 N125 F152 V154 A165L24-L123 HydrophobicContact CD1-CD1 3.98Å; V85-L123 HydrophobicContact CG1-CD1 3.49Å; V85-L123 VanDerWaalsContact CG1-CD1 3.49Å; V85-L123 HydrophobicContact CG1-CG 3.62Å; L86-L123 PolarHBondContact O-N 3.05Å; V87-L123 WeakPolarHBondContact CA-O 3.32Å; V87-L123 HydrophobicContact CG1-CB 4.46Å; V87-L123 HydrophobicContact CG2-CB 4.3Å; V87-L123 HydrophobicContact CG2-CD1 4.42Å; F88-L123 PolarHBondContact N-O 3.28Å; I121-L123 HydrophobicContact CG2-CD2 3.91Å; L123-N125 PolarHBondContact O-N 3Å; L123-F152 WeakPolarHBondContact CA-O 3.39Å; L123-F152 HydrophobicContact CD2-CB 3.79Å; L123-F152 HydrophobicContact CD2-CD2 4.31Å; L123-F152 HydrophobicContact CD2-CG 4.42Å; L123-V154 HydrophobicContact CB-CG2 4.02Å; L123-V154 HydrophobicContact CD2-CG1 4.26Å; L123-A165 HydrophobicContact CD2-CB 3.67Å
124G98.9Very high96.8Very high0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-84.596.816700000109.3F88 F152 E153 V154F88-G124 VanDerWaalsContact CE1-CA 3.47Å; G124-F152 PolarHBondContact N-O 3.38Å; G124-E153 WeakPolarHBondContact O-CA 3.48Å; G124-V154 PolarHBondContact O-N 2.89Å
125N98.9Very high97Very high4 Ų446.3 Ų46.32%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-88.9165.4-174.6-169.432.4000112.8V19 L24 V87 F88 V90 L123 V154 A156V19-N125 PolarHBondContact O-ND2 3.49Å; L24-N125 HydrophobicContact CD1-CB 4.25Å; V87-N125 HydrophobicContact CG1-CB 4.04Å; F88-N125 PolarHBondContact O-N 3.48Å; V90-N125 WeakPolarHBondContact CG2-O 3.28Å; V90-N125 PolarHBondContact N-O 3.41Å; L123-N125 PolarHBondContact O-N 3Å; N125-V154 CarbonylContact C-O 3.56Å; N125-V154 VanDerWaalsContact CA-O 3.3Å; N125-V154 WeakPolarHBondContact CA-O 3.5Å; N125-V154 HydrophobicContact CB-CG2 3.92Å; N125-V154 PolarHBondContact OD1-O 2.85Å; N125-A156 PolarHBondContact OD1-N 2.87Å; N125-A156 VanDerWaalsContact OD1-N 3.07Å
126K98.4Very high97.2Very high51 Ų5146 Ų4622%0.22226%0.26CS..  trans68.834.5177.4-45.8-167.9-163.8166.80114.3G18 V19 D89 D128 L129 V154G18-K126 WeakPolarHBondContact O-CE 3.48Å; G18-K126 PolarHBondContact O-NZ 3.49Å; V19-K126 WeakPolarHBondContact O-CE 3.43Å; D89-K126 HydrophobicContact CB-CD 4.42Å; D89-K126 WeakPolarHBondContact OD2-CD 3.34Å; D89-K126 VanDerWaalsContact OD2-CE 3.23Å; D89-K126 WeakPolarHBondContact OD2-CE 3.41Å; D89-K126 IonicContact OD2-NZ 2.69Å; D89-K126 PolarHBondContact OD2-NZ 2.87Å; K126-D128 WeakPolarHBondContact CA-OD1 3.19Å; K126-D128 PolarHBondContact O-N 3.12Å; K126-L129 HydrophobicContact CB-CD1 3.78Å; K126-L129 HydrophobicContact CB-CG 4.01Å; K126-L129 HydrophobicContact CD-CD1 3.77Å; K126-L129 HydrophobicContact CG-CD1 4.42Å; K126-L129 WeakPolarHBondContact O-CB 3.3Å; K126-L129 PolarHBondContact O-N 3.4Å; K126-V154 PolarHBondContact N-O 3.01Å; K126-V154 VanDerWaalsContact N-O 3.09Å
127I98.5Very high97.5Very high40 Ų4046.9 Ų46.921%0.20526%0.261CS..THydrogen-bonded Turntrans-65.2-14.6175.367.9179.6000113.8V90 L129 E153 V154 I160V90-I127 HydrophobicContact CG1-CG2 4.01Å; V90-I127 HydrophobicContact CG2-CG2 4.21Å; I127-L129 PolarHBondContact O-N 3.15Å; I127-E153 HydrophobicContact CD1-CB 4.17Å; I127-E153 HydrophobicContact CG2-CB 3.88Å; I127-E153 HydrophobicContact CG2-CG 4.24Å; I127-V154 WeakPolarHBondContact CG1-O 3.42Å; I127-V154 PolarHBondContact N-O 2.83Å; I127-I160 HydrophobicContact CD1-CB 4.33Å; I127-I160 HydrophobicContact CD1-CG2 3.87Å
128D98.1Very high97.7Very high50 Ų5047.9 Ų47.927%0.26726%0.258SS..THydrogen-bonded Turntrans-67.7-17.5170.658.9-77.7000112.9K126 S155 K157 E158K126-D128 WeakPolarHBondContact CA-OD1 3.19Å; K126-D128 PolarHBondContact O-N 3.12Å; D128-S155 VanDerWaalsContact CG-OG 3.23Å; D128-S155 WeakPolarHBondContact OD1-CB 3.42Å; D128-S155 PolarHBondContact OD1-OG 3.19Å; D128-K157 WeakPolarHBondContact OD2-CD 3.5Å; D128-E158 HydrophobicContact CB-CG 3.61Å
129L96.4Very high97.8Very high63 Ų6347.3 Ų47.333%0.3326%0.255SS..SBendtrans-83.1126176.1-57.8-176.9000110.5T91 K126 I127 N131T91-L129 HydrophobicContact CG2-CB 3.67Å; T91-L129 HydrophobicContact CG2-CD1 3.86Å; T91-L129 HydrophobicContact CG2-CG 4.4Å; K126-L129 HydrophobicContact CB-CD1 3.78Å; K126-L129 HydrophobicContact CB-CG 4.01Å; K126-L129 HydrophobicContact CD-CD1 3.77Å; K126-L129 HydrophobicContact CG-CD1 4.42Å; K126-L129 WeakPolarHBondContact O-CB 3.3Å; K126-L129 PolarHBondContact O-N 3.4Å; I127-L129 PolarHBondContact O-N 3.15Å; L129-N131 WeakPolarHBondContact CB-OD1 3.37Å; L129-N131 PolarHBondContact O-N 2.97Å
130G91.5Very high97.9Very high89 Ų8951.3 Ų51.392%0.91827%0.272SS*.SBendtrans-71.9-5.3-176.400000115.8
131N95.5Very high97.9Very high93 Ų9358.5 Ų58.550%0.49730%0.304SS..  trans-103.949.4-175.663.1-44.8000112.7T91 L129 N133T91-N131 WeakPolarHBondContact CB-O 3.32Å; T91-N131 WeakPolarHBondContact CG2-OD1 3.48Å; L129-N131 WeakPolarHBondContact CB-OD1 3.37Å; L129-N131 PolarHBondContact O-N 2.97Å; N131-N133 PolarHBondContact O-N 3.15Å; N131-N133 PolarHBondContact O-ND2 3.04Å
132R98.1Very high97.9Very high85 Ų8559.6 Ų59.632%0.32131%0.308SS..  trans-58.2134.6176.2175.4-178.2-69-101.311.3111.8V90 V134 E153V90-R132 HydrophobicContact CB-CG 4.47Å; R132-V134 VanDerWaalsContact CD-O 3.28Å; R132-V134 WeakPolarHBondContact CD-O 3.45Å; R132-V134 WeakPolarHBondContact CG-O 3.25Å; R132-V134 PolarHBondContact NH1-O 3.02Å; R132-E153 IonicContact CZ-OE1 3.09Å; R132-E153 VanDerWaalsContact CZ-OE1 3.26Å; R132-E153 IonicContact CZ-OE2 2.8Å; R132-E153 IonicContact NH1-OE1 2.64Å; R132-E153 PolarHBondContact NH1-OE1 3.22Å; R132-E153 IonicContact NH1-OE2 3.72Å; R132-E153 IonicContact NH2-OE1 3.37Å; R132-E153 PolarHBondContact NH2-OE1 3.14Å; R132-E153 IonicContact NH2-OE2 2.74Å; R132-E153 PolarHBondContact NH2-OE2 3.07Å
133N98.1Very high97.8Very high99 Ų9959.8 Ų59.853%0.52931%0.309SS..  trans-124.6-6.7174.5-77.5-89000113.7V90 T91 P93 N131V90-N133 PolarHBondContact O-N 3.25Å; T91-N133 PolarHBondContact O-ND2 3.3Å; P93-N133 HydrophobicContact CG-CB 3.53Å; N131-N133 PolarHBondContact O-N 3.15Å; N131-N133 PolarHBondContact O-ND2 3.04Å
134V98.3Very high97.8Very high0 Ų063 Ų630%033%0.332CS..SBendtrans-115116.8170.5-174.50000108.9F88 V90 P93 F96 R132F88-V134 HydrophobicContact CE2-CB 3.93Å; F88-V134 HydrophobicContact CE2-CG1 3.77Å; F88-V134 HydrophobicContact CE2-CG2 4.22Å; F88-V134 HydrophobicContact CZ-CG1 4.22Å; V90-V134 PolarHBondContact O-N 3.34Å; P93-V134 HydrophobicContact CB-CG2 4.29Å; P93-V134 HydrophobicContact CG-CG2 4.34Å; F96-V134 HydrophobicContact CB-CG1 4.33Å; F96-V134 HydrophobicContact CB-CG2 3.94Å; F96-V134 HydrophobicContact CD1-CG1 4.12Å; F96-V134 HydrophobicContact CD2-CG1 4.13Å; F96-V134 HydrophobicContact CG-CG1 3.91Å; F96-V134 HydrophobicContact CG-CG2 4.39Å; R132-V134 VanDerWaalsContact CD-O 3.28Å; R132-V134 WeakPolarHBondContact CD-O 3.45Å; R132-V134 WeakPolarHBondContact CG-O 3.25Å; R132-V134 PolarHBondContact NH1-O 3.02Å
135S97.9Very high97.7Very high62 Ų6266.6 Ų66.643%0.43436%0.357SS..  trans-74.4146.3178.965.90000111.6K137 R138 A139S135-K137 PolarHBondContact O-N 2.95Å; S135-R138 WeakPolarHBondContact O-CB 3.49Å; S135-R138 PolarHBondContact O-N 2.81Å; S135-R138 VanDerWaalsContact OG-CB 3.32Å; S135-R138 WeakPolarHBondContact OG-CB 3.22Å; S135-R138 PolarHBondContact OG-N 3.48Å; S135-A139 PolarHBondContact O-N 3.13Å; S135-A139 VanDerWaalsContact O-N 3.11Å
136T98.1Very high97.6Very high49 Ų4968.6 Ų68.630%0.30137%0.366SS..Hα-helixtrans-52.3-44.4175-460000111.3R138 A139 Q140 Y151 E153T136-R138 VanDerWaalsContact C-N 3.32Å; T136-R138 PolarHBondContact O-N 2.77Å; T136-A139 PolarHBondContact O-N 3.38Å; T136-Q140 HydrophobicContact CG2-CG 4.43Å; T136-Q140 WeakPolarHBondContact O-CB 3.48Å; T136-Q140 WeakPolarHBondContact O-CG 3.32Å; T136-Q140 PolarHBondContact O-N 2.88Å; T136-Y151 HydrophobicContact CG2-CE1 4.12Å; T136-E153 WeakPolarHBondContact CB-OE1 3.43Å; T136-E153 PolarHBondContact OG1-OE1 2.87Å
137K98.2Very high97.4Very high170 Ų17071 Ų7174%0.73938%0.381SS*.Hα-helixtrans-59.3-40177.6-175.1175.2-178.7177.50112.9S135 F141S135-K137 PolarHBondContact O-N 2.95Å; K137-F141 WeakPolarHBondContact O-CB 3.3Å; K137-F141 PolarHBondContact O-N 2.86Å
138R98.3Very high97.3Very high114 Ų11474.6 Ų74.643%0.4340%0.4SS..Hα-helixtrans-67.2-43.4177.9179.5178.8178.1169.52.7111.3F96 S135 T136 W142F96-R138 HydrophobicContact CE1-CG 3.95Å; F96-R138 HydrophobicContact CZ-CG 4.4Å; S135-R138 WeakPolarHBondContact O-CB 3.49Å; S135-R138 PolarHBondContact O-N 2.81Å; S135-R138 VanDerWaalsContact OG-CB 3.32Å; S135-R138 WeakPolarHBondContact OG-CB 3.22Å; S135-R138 PolarHBondContact OG-N 3.48Å; T136-R138 VanDerWaalsContact C-N 3.32Å; T136-R138 PolarHBondContact O-N 2.77Å; R138-W142 PolarHBondContact O-N 2.87Å
139A98.5Very high97.3Very high0 Ų072.9 Ų72.90%039%0.391CS..Hα-helixtrans-64.3-47.2177.800000111.7F88 F96 S135 T136 F141 W142 C143 Y151F88-A139 HydrophobicContact CE1-CB 4.4Å; F88-A139 HydrophobicContact CZ-CB 3.91Å; F96-A139 HydrophobicContact CE2-CB 3.94Å; F96-A139 HydrophobicContact CZ-CB 4.36Å; S135-A139 PolarHBondContact O-N 3.13Å; S135-A139 VanDerWaalsContact O-N 3.11Å; T136-A139 PolarHBondContact O-N 3.38Å; A139-F141 PolarHBondContact O-N 3.37Å; A139-W142 PolarHBondContact O-N 3.01Å; A139-C143 PolarHBondContact O-N 2.7Å; A139-C143 PolarHBondContact O-SG 3.07Å; A139-Y151 HydrophobicContact CB-CD1 4.37Å; A139-Y151 HydrophobicContact CB-CD2 4.43Å; A139-Y151 HydrophobicContact CB-CE1 3.74Å; A139-Y151 HydrophobicContact CB-CE2 3.86Å; A139-Y151 VanDerWaalsContact CB-CZ 3.45Å
140Q98.5Very high97.4Very high101 Ų10171.7 Ų71.747%0.47239%0.387SS..Hα-helixtrans-59.1-44176.2-73.7172.6-28.400112.3T136 W142 C143 S144 Y151T136-Q140 HydrophobicContact CG2-CG 4.43Å; T136-Q140 WeakPolarHBondContact O-CB 3.48Å; T136-Q140 WeakPolarHBondContact O-CG 3.32Å; T136-Q140 PolarHBondContact O-N 2.88Å; Q140-W142 VanDerWaalsContact C-N 3.33Å; Q140-W142 PolarHBondContact O-N 3.05Å; Q140-C143 WeakPolarHBondContact O-CB 3.47Å; Q140-C143 PolarHBondContact O-N 2.86Å; Q140-C143 VanDerWaalsContact O-N 3.13Å; Q140-S144 PolarHBondContact O-N 3.03Å; Q140-Y151 HydrophobicContact CG-CD1 3.68Å; Q140-Y151 HydrophobicContact CG-CE1 4.2Å
141F98.5Very high97.7Very high157 Ų15769.2 Ų69.269%0.68935%0.35SS*.Hα-helixtrans-60.1-42.6177.8179.1-95.7000112.5K137 A139 C143 S144 S145K137-F141 WeakPolarHBondContact O-CB 3.3Å; K137-F141 PolarHBondContact O-N 2.86Å; A139-F141 PolarHBondContact O-N 3.37Å; F141-C143 VanDerWaalsContact C-N 3.33Å; F141-S144 PolarHBondContact O-N 2.81Å; F141-S145 PolarHBondContact O-N 2.91Å
142W98.5Very high97.9Very high23 Ų2367.2 Ų67.29%0.08734%0.337CS..Hα-helixtrans-64.4-38.9175-17796.9000111.7L86 F96 L99 D100 V122 R138 A139 Q140 S145 K146 I149L86-W142 HydrophobicContact CD1-CH2 4.03Å; F96-W142 HydrophobicContact CE1-CB 4.47Å; F96-W142 HydrophobicContact CE2-CB 4.41Å; F96-W142 HydrophobicContact CZ-CB 3.63Å; F96-W142 AromaticContact CZ-CG 3.93Å; F96-W142 HydrophobicContact CZ-CG 3.93Å; L99-W142 HydrophobicContact CB-CH2 4.03Å; L99-W142 HydrophobicContact CB-CZ2 3.86Å; D100-W142 PolarHBondContact OD1-NE1 2.92Å; D100-W142 PolarHBondContact OD2-NE1 3.47Å; V122-W142 HydrophobicContact CG2-CE3 4.36Å; V122-W142 HydrophobicContact CG2-CZ3 3.65Å; R138-W142 PolarHBondContact O-N 2.87Å; A139-W142 PolarHBondContact O-N 3.01Å; Q140-W142 VanDerWaalsContact C-N 3.33Å; Q140-W142 PolarHBondContact O-N 3.05Å; W142-S145 PolarHBondContact O-N 3.04Å; W142-S145 PolarHBondContact O-OG 3.27Å; W142-K146 HydrophobicContact CD2-CG 4.05Å; W142-K146 HydrophobicContact CE3-CG 4.15Å; W142-K146 HydrophobicContact CH2-CG 4.01Å; W142-K146 HydrophobicContact CZ2-CD 4.39Å; W142-K146 HydrophobicContact CZ2-CG 3.92Å; W142-K146 HydrophobicContact CZ3-CB 4.44Å; W142-K146 HydrophobicContact CZ3-CG 4.12Å; W142-K146 VanDerWaalsContact O-CG 3.28Å; W142-K146 WeakPolarHBondContact O-CG 3.33Å; W142-K146 PolarHBondContact O-N 2.74Å; W142-I149 HydrophobicContact CZ3-CD1 4.21Å
143C98.5Very high97.9Very high4 Ų465 Ų653%0.02733%0.331CS..Hα-helixtrans-65.2-43.1178.5-64.20000111.8A139 Q140 F141 S145 K146 D148 I149A139-C143 PolarHBondContact O-N 2.7Å; A139-C143 PolarHBondContact O-SG 3.07Å; Q140-C143 WeakPolarHBondContact O-CB 3.47Å; Q140-C143 PolarHBondContact O-N 2.86Å; Q140-C143 VanDerWaalsContact O-N 3.13Å; F141-C143 VanDerWaalsContact C-N 3.33Å; C143-S145 VanDerWaalsContact C-N 3.32Å; C143-S145 PolarHBondContact O-N 3.37Å; C143-K146 PolarHBondContact O-N 2.98Å; C143-K146 VanDerWaalsContact O-N 3.12Å; C143-D148 WeakPolarHBondContact O-CA 3.21Å; C143-D148 PolarHBondContact O-N 2.61Å; C143-I149 HydrophobicContact CB-CB 4.27Å; C143-I149 VanDerWaalsContact CB-O 3.26Å; C143-I149 WeakPolarHBondContact CB-O 3.5Å; C143-I149 PolarHBondContact O-N 2.95Å; C143-I149 VanDerWaalsContact O-N 3.12Å
144S97.9Very high97.9Very high69 Ų6960.3 Ų60.348%0.48331%0.306SS..Hα-helixtrans-62.5-36.2173.9-70.90000113.1Q140 F141 K146 D148Q140-S144 PolarHBondContact O-N 3.03Å; F141-S144 PolarHBondContact O-N 2.81Å; S144-K146 PolarHBondContact O-N 2.65Å; S144-D148 WeakPolarHBondContact CA-OD1 3.49Å; S144-D148 WeakPolarHBondContact CB-OD1 2.92Å; S144-D148 PolarHBondContact OG-OD1 2.9Å
145S97.3Very high98Very high75 Ų7560.3 Ų60.352%0.52431%0.306SS..THydrogen-bonded Turntrans-73.6-7.3176.673.60000114.2F141 W142 C143F141-S145 PolarHBondContact O-N 2.91Å; W142-S145 PolarHBondContact O-N 3.04Å; W142-S145 PolarHBondContact O-OG 3.27Å; C143-S145 VanDerWaalsContact C-N 3.32Å; C143-S145 PolarHBondContact O-N 3.37Å
146K95.7Very high98Very high47 Ų4757.5 Ų57.520%0.20429%0.286CS..THydrogen-bonded Turntrans-113.637.3-178.3-64.7-67.3-173.7170.20112.7D100 W142 C143 S144 I149D100-K146 WeakPolarHBondContact OD1-CE 3.41Å; D100-K146 IonicContact OD1-NZ 3.31Å; D100-K146 PolarHBondContact OD1-NZ 3.4Å; W142-K146 HydrophobicContact CD2-CG 4.05Å; W142-K146 HydrophobicContact CE3-CG 4.15Å; W142-K146 HydrophobicContact CH2-CG 4.01Å; W142-K146 HydrophobicContact CZ2-CD 4.39Å; W142-K146 HydrophobicContact CZ2-CG 3.92Å; W142-K146 HydrophobicContact CZ3-CB 4.44Å; W142-K146 HydrophobicContact CZ3-CG 4.12Å; W142-K146 VanDerWaalsContact O-CG 3.28Å; W142-K146 WeakPolarHBondContact O-CG 3.33Å; W142-K146 PolarHBondContact O-N 2.74Å; C143-K146 PolarHBondContact O-N 2.98Å; C143-K146 VanDerWaalsContact O-N 3.12Å; S144-K146 PolarHBondContact O-N 2.65Å; K146-I149 HydrophobicContact CB-CD1 3.56Å; K146-I149 HydrophobicContact CB-CG1 4.24Å; K146-I149 WeakPolarHBondContact O-CD1 3.19Å; K146-I149 VanDerWaalsContact O-CG1 3.29Å; K146-I149 WeakPolarHBondContact O-CG1 3.48Å
147N94.4Very high98Very high102 Ų10259.4 Ų59.455%0.54529%0.29SS..THydrogen-bonded Turntrans7344.7-177.8-148.436000112.8E116 I149E116-N147 PolarHBondContact O-ND2 3.22Å; E116-N147 VanDerWaalsContact O-ND2 3.07Å; N147-I149 VanDerWaalsContact C-N 3.31Å; N147-I149 PolarHBondContact O-N 3.02Å
148D96.7Very high98Very high114 Ų11456.3 Ų56.361%0.6128%0.278SS*.SBendtrans50.544.7176.2-68.7-53.6000114.8C143 S144C143-D148 WeakPolarHBondContact O-CA 3.21Å; C143-D148 PolarHBondContact O-N 2.61Å; S144-D148 WeakPolarHBondContact CA-OD1 3.49Å; S144-D148 WeakPolarHBondContact CB-OD1 2.92Å; S144-D148 PolarHBondContact OG-OD1 2.9Å
149I98.1Very high98Very high14 Ų1453.3 Ų53.37%0.07228%0.278CS..  trans-54.4128.2176.7-69.5173.1000110.1F120 V122 W142 C143 K146 N147 Y151F120-I149 HydrophobicContact CB-CD1 3.78Å; F120-I149 HydrophobicContact CB-CG1 4.01Å; F120-I149 HydrophobicContact CB-CG2 4.1Å; F120-I149 HydrophobicContact CG-CD1 4.37Å; F120-I149 WeakPolarHBondContact O-CG2 3.08Å; V122-I149 HydrophobicContact CB-CG2 4.27Å; V122-I149 HydrophobicContact CG2-CG2 3.53Å; W142-I149 HydrophobicContact CZ3-CD1 4.21Å; C143-I149 HydrophobicContact CB-CB 4.27Å; C143-I149 VanDerWaalsContact CB-O 3.26Å; C143-I149 WeakPolarHBondContact CB-O 3.5Å; C143-I149 PolarHBondContact O-N 2.95Å; C143-I149 VanDerWaalsContact O-N 3.12Å; K146-I149 HydrophobicContact CB-CD1 3.56Å; K146-I149 HydrophobicContact CB-CG1 4.24Å; K146-I149 WeakPolarHBondContact O-CD1 3.19Å; K146-I149 VanDerWaalsContact O-CG1 3.29Å; K146-I149 WeakPolarHBondContact O-CG1 3.48Å; N147-I149 VanDerWaalsContact C-N 3.31Å; N147-I149 PolarHBondContact O-N 3.02Å; I149-Y151 PolarHBondContact O-N 3.06Å
150P98.4Very high98Very high38 Ų3856.7 Ų56.725%0.24730%0.295CS..  trans-59.9134.7174.5-24.633.5000112F120 I121 V122 F152 K168F120-P150 WeakPolarHBondContact O-CD 3.49Å; I121-P150 HydrophobicContact CG1-CB 4.18Å; I121-P150 HydrophobicContact CG1-CG 4.27Å; V122-P150 PolarHBondContact N-O 3.3Å; P150-F152 HydrophobicContact CB-CE2 4.12Å; P150-K168 HydrophobicContact CB-CG 4.46Å
151Y98.7Very high98Very high37 Ų3755.1 Ų55.115%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-120.2130-178.6174.9-121.4000111.7F88 V122 T136 A139 Q140 I149 E153F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 AromaticContact CZ-CE2 4Å; F88-Y151 HydrophobicContact CZ-CE2 4Å; V122-Y151 HydrophobicContact CB-CD2 4.05Å; V122-Y151 HydrophobicContact CG1-CD2 3.76Å; V122-Y151 HydrophobicContact CG1-CE2 4.14Å; V122-Y151 WeakPolarHBondContact O-CA 3.14Å; V122-Y151 WeakPolarHBondContact O-CD2 3.49Å; T136-Y151 HydrophobicContact CG2-CE1 4.12Å; A139-Y151 HydrophobicContact CB-CD1 4.37Å; A139-Y151 HydrophobicContact CB-CD2 4.43Å; A139-Y151 HydrophobicContact CB-CE1 3.74Å; A139-Y151 HydrophobicContact CB-CE2 3.86Å; A139-Y151 VanDerWaalsContact CB-CZ 3.45Å; Q140-Y151 HydrophobicContact CG-CD1 3.68Å; Q140-Y151 HydrophobicContact CG-CE1 4.2Å; I149-Y151 PolarHBondContact O-N 3.06Å; Y151-E153 HydrophobicContact CE1-CG 3.83Å; Y151-E153 VanDerWaalsContact OH-CG 3.25Å; Y151-E153 WeakPolarHBondContact OH-CG 3.29Å; Y151-E153 PolarHBondContact OH-OE1 3.06Å
152F98.8Very high98Very high51 Ų5147.8 Ų47.822%0.22426%0.258CS..EExtended strand (participates in β ladder)trans-125.3135.1173.5-63.9-98.6000111.1I121 V122 L123 G124 P150 V154 A165 K168I121-F152 HydrophobicContact CG2-CD2 4.03Å; I121-F152 HydrophobicContact CG2-CE2 4.32Å; V122-F152 PolarHBondContact O-N 3.03Å; L123-F152 WeakPolarHBondContact CA-O 3.39Å; L123-F152 HydrophobicContact CD2-CB 3.79Å; L123-F152 HydrophobicContact CD2-CD2 4.31Å; L123-F152 HydrophobicContact CD2-CG 4.42Å; G124-F152 PolarHBondContact N-O 3.38Å; P150-F152 HydrophobicContact CB-CE2 4.12Å; F152-V154 HydrophobicContact CB-CG1 4Å; F152-A165 HydrophobicContact CB-CB 4.01Å; F152-A165 HydrophobicContact CD1-CB 4.16Å; F152-A165 HydrophobicContact CD2-CB 4.15Å; F152-A165 HydrophobicContact CG-CB 3.85Å; F152-K168 HydrophobicContact CE2-CB 3.96Å; F152-K168 HydrophobicContact CE2-CG 3.92Å; F152-K168 HydrophobicContact CZ-CB 3.77Å; F152-K168 HydrophobicContact CZ-CG 3.94Å
153E98.7Very high98Very high39 Ų3950.1 Ų50.118%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-87.5123.1164-78.4-160170.800109.4G124 I127 R132 T136 Y151 N161G124-E153 WeakPolarHBondContact O-CA 3.48Å; I127-E153 HydrophobicContact CD1-CB 4.17Å; I127-E153 HydrophobicContact CG2-CB 3.88Å; I127-E153 HydrophobicContact CG2-CG 4.24Å; R132-E153 IonicContact CZ-OE1 3.09Å; R132-E153 VanDerWaalsContact CZ-OE1 3.26Å; R132-E153 IonicContact CZ-OE2 2.8Å; R132-E153 IonicContact NH1-OE1 2.64Å; R132-E153 PolarHBondContact NH1-OE1 3.22Å; R132-E153 IonicContact NH1-OE2 3.72Å; R132-E153 IonicContact NH2-OE1 3.37Å; R132-E153 PolarHBondContact NH2-OE1 3.14Å; R132-E153 IonicContact NH2-OE2 2.74Å; R132-E153 PolarHBondContact NH2-OE2 3.07Å; T136-E153 WeakPolarHBondContact CB-OE1 3.43Å; T136-E153 PolarHBondContact OG1-OE1 2.87Å; Y151-E153 HydrophobicContact CE1-CG 3.83Å; Y151-E153 VanDerWaalsContact OH-CG 3.25Å; Y151-E153 WeakPolarHBondContact OH-CG 3.29Å; Y151-E153 PolarHBondContact OH-OE1 3.06Å; E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.36Å; E153-N161 PolarHBondContact O-ND2 3.15Å
154V98.9Very high98Very high1 Ų155.2 Ų55.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-131.2154.9-172.1-59.60000112.2L24 L123 G124 N125 K126 I127 F152 I160 N161 A165L24-V154 HydrophobicContact CD1-CG2 4.33Å; L24-V154 HydrophobicContact CD2-CB 4.32Å; L24-V154 HydrophobicContact CD2-CG2 3.7Å; L123-V154 HydrophobicContact CB-CG2 4.02Å; L123-V154 HydrophobicContact CD2-CG1 4.26Å; G124-V154 PolarHBondContact O-N 2.89Å; N125-V154 CarbonylContact C-O 3.56Å; N125-V154 VanDerWaalsContact CA-O 3.3Å; N125-V154 WeakPolarHBondContact CA-O 3.5Å; N125-V154 HydrophobicContact CB-CG2 3.92Å; N125-V154 PolarHBondContact OD1-O 2.85Å; K126-V154 PolarHBondContact N-O 3.01Å; K126-V154 VanDerWaalsContact N-O 3.09Å; I127-V154 WeakPolarHBondContact CG1-O 3.42Å; I127-V154 PolarHBondContact N-O 2.83Å; F152-V154 HydrophobicContact CB-CG1 4Å; V154-I160 VanDerWaalsContact CA-O 3.3Å; V154-I160 WeakPolarHBondContact CA-O 3.34Å; V154-N161 HydrophobicContact CG1-CB 4Å; V154-A165 HydrophobicContact CG1-CB 4.16Å
155S98.7Very high98Very high0 Ų051.9 Ų51.90%027%0.27CS..BIsolated β-bridgetrans-125111.7163175.80000109.4D128 K157 E158 A159 I160D128-S155 VanDerWaalsContact CG-OG 3.23Å; D128-S155 WeakPolarHBondContact OD1-CB 3.42Å; D128-S155 PolarHBondContact OD1-OG 3.19Å; S155-K157 PolarHBondContact O-N 3.29Å; S155-K157 PolarHBondContact OG-N 2.97Å; S155-E158 PolarHBondContact OG-N 2.92Å; S155-A159 CarbonylContact O-C 3.48Å; S155-A159 VanDerWaalsContact O-CA 3.29Å; S155-A159 WeakPolarHBondContact O-CA 3.37Å; S155-A159 PolarHBondContact O-N 2.81Å; S155-I160 PolarHBondContact N-O 3.49Å; S155-I160 PolarHBondContact O-N 3.08Å; S155-I160 VanDerWaalsContact O-N 3.11Å
156A98.5Very high98.1Very high2 Ų248.4 Ų48.42%0.01725%0.246CC..THydrogen-bonded Turntrans-60.5-32.1169.800000112.2L24 Q27 F33 N125L24-A156 HydrophobicContact CD2-CB 3.77Å; L24-A156 HydrophobicContact CG-CB 3.99Å; Q27-A156 VanDerWaalsContact CG-O 3.26Å; Q27-A156 WeakPolarHBondContact CG-O 3.37Å; Q27-A156 PolarHBondContact NE2-O 2.75Å; F33-A156 HydrophobicContact CD2-CB 4.27Å; F33-A156 HydrophobicContact CE2-CB 4.43Å; N125-A156 PolarHBondContact OD1-N 2.87Å; N125-A156 VanDerWaalsContact OD1-N 3.07Å
157K98.2Very high98.2Very high90 Ų9049.3 Ų49.339%0.39125%0.251SS..THydrogen-bonded Turntrans-72.8-50.9-178.3-179.6-173.9170.9-157.20111.9F33 D128 S155 A159F33-K157 HydrophobicContact CD1-CB 4.13Å; F33-K157 HydrophobicContact CD1-CG 3.87Å; F33-K157 HydrophobicContact CD2-CB 4.14Å; F33-K157 HydrophobicContact CE1-CB 3.88Å; F33-K157 HydrophobicContact CE1-CD 4.24Å; F33-K157 HydrophobicContact CE1-CG 3.61Å; F33-K157 HydrophobicContact CE2-CB 3.9Å; F33-K157 HydrophobicContact CG-CB 4.25Å; F33-K157 HydrophobicContact CG-CG 4.43Å; F33-K157 HydrophobicContact CZ-CB 3.77Å; F33-K157 HydrophobicContact CZ-CD 4.49Å; F33-K157 HydrophobicContact CZ-CG 3.99Å; D128-K157 WeakPolarHBondContact OD2-CD 3.5Å; S155-K157 PolarHBondContact O-N 3.29Å; S155-K157 PolarHBondContact OG-N 2.97Å; K157-A159 VanDerWaalsContact C-N 3.34Å
158E98.1Very high98.4Very high105 Ų10547.2 Ų47.249%0.49124%0.237SC..THydrogen-bonded Turntrans-93.46.9-175.1-55-57.914900112.6D128 S155 I160D128-E158 HydrophobicContact CB-CG 3.61Å; S155-E158 PolarHBondContact OG-N 2.92Å; E158-I160 HydrophobicContact CB-CD1 3.79Å; E158-I160 HydrophobicContact CB-CG1 3.84Å; E158-I160 PolarHBondContact O-N 3.17Å; E158-I160 VanDerWaalsContact O-N 3.15Å
159A98.2Very high98.4Very high51 Ų5141.8 Ų41.842%0.42121%0.208SC..THydrogen-bonded Turntrans6016.4-176.300000115.5Q27 S155 K157 N161Q27-A159 HydrophobicContact CG-CB 4.44Å; S155-A159 CarbonylContact O-C 3.48Å; S155-A159 VanDerWaalsContact O-CA 3.29Å; S155-A159 WeakPolarHBondContact O-CA 3.37Å; S155-A159 PolarHBondContact O-N 2.81Å; K157-A159 VanDerWaalsContact C-N 3.34Å; A159-N161 PolarHBondContact O-N 2.72Å
160I98.7Very high98.4Very high71 Ų7141.1 Ų41.136%0.36420%0.204SC..BIsolated β-bridgetrans-72.3127.4-174-59.2168.5000109.8I127 V154 S155 E158 V162I127-I160 HydrophobicContact CD1-CB 4.33Å; I127-I160 HydrophobicContact CD1-CG2 3.87Å; V154-I160 VanDerWaalsContact CA-O 3.3Å; V154-I160 WeakPolarHBondContact CA-O 3.34Å; S155-I160 PolarHBondContact N-O 3.49Å; S155-I160 PolarHBondContact O-N 3.08Å; S155-I160 VanDerWaalsContact O-N 3.11Å; E158-I160 HydrophobicContact CB-CD1 3.79Å; E158-I160 HydrophobicContact CB-CG1 3.84Å; E158-I160 PolarHBondContact O-N 3.17Å; E158-I160 VanDerWaalsContact O-N 3.15Å; I160-V162 PolarHBondContact O-N 3.4Å
161N98.6Very high98.3Very high67 Ų6742.3 Ų42.336%0.35821%0.206SC..THydrogen-bonded Turntrans58.56.2176.8-63.7-26.1000116.2E153 V154 A159 Q164 A165E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.36Å; E153-N161 PolarHBondContact O-ND2 3.15Å; V154-N161 HydrophobicContact CG1-CB 4Å; A159-N161 PolarHBondContact O-N 2.72Å; N161-Q164 VanDerWaalsContact C-OE1 3.29Å; N161-A165 VanDerWaalsContact O-CB 3.3Å; N161-A165 WeakPolarHBondContact O-CB 3.3Å; N161-A165 PolarHBondContact O-N 3.05Å
162V98.7Very high98.3Very high4 Ų441.4 Ų41.42%0.02420%0.204CC..Hα-helixtrans-65.3-47-176.3178.40000110.8L24 Q27 Y28 I160 Q164 A165 F166L24-V162 HydrophobicContact CD2-CG2 4.09Å; Q27-V162 HydrophobicContact CG-CG1 4.38Å; Q27-V162 HydrophobicContact CG-CG2 4.32Å; Y28-V162 HydrophobicContact CD2-CG1 4.32Å; I160-V162 PolarHBondContact O-N 3.4Å; V162-Q164 PolarHBondContact O-N 3Å; V162-A165 PolarHBondContact O-N 3.32Å; V162-F166 HydrophobicContact CG1-CD2 3.98Å; V162-F166 HydrophobicContact CG1-CE2 4.14Å; V162-F166 WeakPolarHBondContact O-CD2 3.47Å; V162-F166 PolarHBondContact O-N 2.59Å; V162-F166 VanDerWaalsContact O-N 3.12Å
163E98.1Very high98.1Very high71 Ų7139 Ų3933%0.33219%0.193SC..Hα-helixtrans-65.7-42-179-161.170.2-156.400111.5Y28 K31 K48 F166 Q167Y28-E163 WeakPolarHBondContact CD2-OE2 2.98Å; Y28-E163 VanDerWaalsContact CE2-CD 3.43Å; Y28-E163 HydrophobicContact CE2-CG 4.45Å; Y28-E163 VanDerWaalsContact CE2-OE1 3.24Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.41Å; Y28-E163 WeakPolarHBondContact CE2-OE2 3.46Å; K31-E163 IonicContact NZ-OE2 2.61Å; K31-E163 PolarHBondContact NZ-OE2 3.5Å; K48-E163 IonicContact NZ-OE1 2.7Å; K48-E163 PolarHBondContact NZ-OE1 3.2Å; K48-E163 IonicContact NZ-OE2 3.69Å; K48-E163 PolarHBondContact NZ-OE2 2.8Å; E163-F166 PolarHBondContact O-N 2.93Å; E163-Q167 WeakPolarHBondContact O-CB 3.47Å; E163-Q167 PolarHBondContact O-N 2.92Å
164Q98.3Very high97.9Very high111 Ų11137.1 Ų37.152%0.51919%0.185SC..Hα-helixtrans-62.8-44.9179.8-64.578.94.300111.5N161 V162 Q167 K168N161-Q164 VanDerWaalsContact C-OE1 3.29Å; V162-Q164 PolarHBondContact O-N 3Å; Q164-Q167 PolarHBondContact O-N 3.29Å; Q164-K168 PolarHBondContact O-N 3.46Å; Q164-K168 VanDerWaalsContact O-N 3.09Å
165A98.7Very high97.5Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-61.4-48.1177.400000111.7L123 F152 V154 N161 V162 Q167 K168 I169L123-A165 HydrophobicContact CD2-CB 3.67Å; F152-A165 HydrophobicContact CB-CB 4.01Å; F152-A165 HydrophobicContact CD1-CB 4.16Å; F152-A165 HydrophobicContact CD2-CB 4.15Å; F152-A165 HydrophobicContact CG-CB 3.85Å; V154-A165 HydrophobicContact CG1-CB 4.16Å; N161-A165 VanDerWaalsContact O-CB 3.3Å; N161-A165 WeakPolarHBondContact O-CB 3.3Å; N161-A165 PolarHBondContact O-N 3.05Å; V162-A165 PolarHBondContact O-N 3.32Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 3Å; A165-K168 PolarHBondContact O-N 2.83Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.4Å; A165-I169 PolarHBondContact O-N 3.05Å
166F98.5Very high97Very high1 Ų141.9 Ų41.90%0.00421%0.206CC..Hα-helixtrans-71.3-26.9179.4-84.3-89.4000113.8I13 L24 Y28 M59 I61 V162 E163 I169 A170I13-F166 HydrophobicContact CD1-CE1 4.25Å; I13-F166 HydrophobicContact CD1-CZ 3.96Å; L24-F166 HydrophobicContact CB-CE2 4.37Å; Y28-F166 HydrophobicContact CD1-CB 3.98Å; Y28-F166 AromaticContact CD1-CD1 3.57Å; Y28-F166 HydrophobicContact CD1-CD1 3.57Å; Y28-F166 HydrophobicContact CD1-CD2 4.21Å; Y28-F166 HydrophobicContact CD1-CE1 4.04Å; Y28-F166 AromaticContact CD1-CG 3.66Å; Y28-F166 HydrophobicContact CD1-CG 3.66Å; Y28-F166 HydrophobicContact CD2-CB 3.42Å; Y28-F166 VanDerWaalsContact CD2-CB 3.42Å; Y28-F166 HydrophobicContact CD2-CD1 4.39Å; Y28-F166 AromaticContact CD2-CD2 3.78Å; Y28-F166 HydrophobicContact CD2-CD2 3.78Å; Y28-F166 AromaticContact CD2-CG 3.62Å; Y28-F166 HydrophobicContact CD2-CG 3.62Å; Y28-F166 HydrophobicContact CE1-CB 3.78Å; Y28-F166 AromaticContact CE1-CD1 3.83Å; Y28-F166 HydrophobicContact CE1-CD1 3.83Å; Y28-F166 AromaticContact CE1-CG 3.93Å; Y28-F166 HydrophobicContact CE1-CG 3.93Å; Y28-F166 HydrophobicContact CE2-CB 3.18Å; Y28-F166 HydrophobicContact CE2-CD2 4.45Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.8Å; Y28-F166 AromaticContact CG-CD1 3.87Å; Y28-F166 HydrophobicContact CG-CD1 3.87Å; Y28-F166 AromaticContact CG-CD2 3.63Å; Y28-F166 HydrophobicContact CG-CD2 3.63Å; Y28-F166 HydrophobicContact CG-CE1 4.32Å; Y28-F166 HydrophobicContact CG-CE2 4.1Å; Y28-F166 AromaticContact CG-CG 3.49Å; Y28-F166 HydrophobicContact CG-CG 3.49Å; Y28-F166 VanDerWaalsContact CG-CG 3.49Å; Y28-F166 HydrophobicContact CG-CZ 4.42Å; M59-F166 HydrophobicContact CE-CB 4.36Å; M59-F166 HydrophobicContact CE-CD1 3.8Å; I61-F166 HydrophobicContact CD1-CD1 4.09Å; I61-F166 HydrophobicContact CD1-CE1 3.79Å; I61-F166 HydrophobicContact CG1-CE1 4.35Å; I61-F166 HydrophobicContact CG2-CE1 4.05Å; V162-F166 HydrophobicContact CG1-CD2 3.98Å; V162-F166 HydrophobicContact CG1-CE2 4.14Å; V162-F166 WeakPolarHBondContact O-CD2 3.47Å; V162-F166 PolarHBondContact O-N 2.59Å; V162-F166 VanDerWaalsContact O-N 3.12Å; E163-F166 PolarHBondContact O-N 2.93Å; F166-I169 HydrophobicContact CB-CD1 4.47Å; F166-I169 HydrophobicContact CD1-CD1 3.86Å; F166-I169 HydrophobicContact CD2-CD1 4.43Å; F166-I169 HydrophobicContact CE1-CD1 4.19Å; F166-I169 HydrophobicContact CG-CD1 4Å; F166-I169 PolarHBondContact O-N 2.99Å; F166-A170 PolarHBondContact O-N 2.82Å
167Q97.9Very high96.3Very high67 Ų6744.2 Ų44.231%0.31322%0.217SC..Hα-helixtrans-64.6-42.6169.4-171.866.815.700111.1V50 V51 E163 Q164 A165 I169 A170 Q171V50-Q167 VanDerWaalsContact CG1-OE1 3.24Å; V51-Q167 PolarHBondContact O-NE2 2.83Å; E163-Q167 WeakPolarHBondContact O-CB 3.47Å; E163-Q167 PolarHBondContact O-N 2.92Å; Q164-Q167 PolarHBondContact O-N 3.29Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 3Å; Q167-I169 VanDerWaalsContact C-N 3.35Å; Q167-A170 PolarHBondContact O-N 3.33Å; Q167-Q171 PolarHBondContact O-N 2.84Å
168K98.1Very high95.4Very high58 Ų5841.6 Ų41.625%0.25221%0.21SC..Hα-helixtrans-64.6-39.3175-175.853.9174.6161.80111.8I121 P150 F152 Q164 A165 A170 Q171 D172I121-K168 HydrophobicContact CD1-CB 4.37Å; I121-K168 HydrophobicContact CD1-CG 4Å; P150-K168 HydrophobicContact CB-CG 4.46Å; F152-K168 HydrophobicContact CE2-CB 3.96Å; F152-K168 HydrophobicContact CE2-CG 3.92Å; F152-K168 HydrophobicContact CZ-CB 3.77Å; F152-K168 HydrophobicContact CZ-CG 3.94Å; Q164-K168 PolarHBondContact O-N 3.46Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; A165-K168 PolarHBondContact O-N 2.83Å; K168-A170 VanDerWaalsContact C-N 3.35Å; K168-A170 PolarHBondContact O-N 3.13Å; K168-Q171 PolarHBondContact O-N 3.29Å; K168-D172 WeakPolarHBondContact CD-OD1 3.44Å; K168-D172 WeakPolarHBondContact CE-OD1 3.32Å; K168-D172 WeakPolarHBondContact CE-OD2 3.14Å; K168-D172 IonicContact NZ-OD1 3.04Å; K168-D172 PolarHBondContact NZ-OD1 3.47Å; K168-D172 IonicContact NZ-OD2 3.07Å; K168-D172 PolarHBondContact O-N 2.96Å
169I98.3Very high94.3Very high0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-56.6-48172.1-66.4159.4000111.5V11 M59 C83 V85 I121 A165 F166 Q167 Q171 D172 A173V11-I169 HydrophobicContact CB-CG2 4.31Å; V11-I169 HydrophobicContact CG1-CG2 3.66Å; V11-I169 HydrophobicContact CG2-CG2 3.63Å; M59-I169 HydrophobicContact SD-CG2 4.21Å; C83-I169 HydrophobicContact CB-CG2 4.37Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.17Å; V85-I169 HydrophobicContact CG2-CD1 3.41Å; V85-I169 VanDerWaalsContact CG2-CD1 3.41Å; V85-I169 HydrophobicContact CG2-CG1 3.86Å; V85-I169 HydrophobicContact CG2-CG2 4.23Å; I121-I169 HydrophobicContact CB-CG1 4.15Å; I121-I169 HydrophobicContact CD1-CB 3.9Å; I121-I169 HydrophobicContact CD1-CG1 3.32Å; I121-I169 HydrophobicContact CG1-CG1 4.29Å; I121-I169 HydrophobicContact CG2-CG1 4.21Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.4Å; A165-I169 PolarHBondContact O-N 3.05Å; F166-I169 HydrophobicContact CB-CD1 4.47Å; F166-I169 HydrophobicContact CD1-CD1 3.86Å; F166-I169 HydrophobicContact CD2-CD1 4.43Å; F166-I169 HydrophobicContact CE1-CD1 4.19Å; F166-I169 HydrophobicContact CG-CD1 4Å; F166-I169 PolarHBondContact O-N 2.99Å; Q167-I169 VanDerWaalsContact C-N 3.35Å; I169-Q171 VanDerWaalsContact C-N 3.33Å; I169-Q171 PolarHBondContact O-N 2.66Å; I169-D172 PolarHBondContact O-N 2.98Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.45Å; I169-A173 PolarHBondContact O-N 3.4Å
170A97.6Very high93.1Very high0 Ų042.5 Ų42.50%021%0.205CC..Hα-helixtrans-65.7-36.9179.900000112L9 V50 V52 M59 F166 Q167 K168 L174L9-A170 WeakPolarHBondContact CD1-O 3.26Å; V50-A170 HydrophobicContact CG1-CB 4.41Å; V52-A170 HydrophobicContact CG2-CB 3.58Å; M59-A170 HydrophobicContact SD-CB 3.91Å; F166-A170 PolarHBondContact O-N 2.82Å; Q167-A170 PolarHBondContact O-N 3.33Å; K168-A170 VanDerWaalsContact C-N 3.35Å; K168-A170 PolarHBondContact O-N 3.13Å; A170-L174 WeakPolarHBondContact O-CB 3.33Å; A170-L174 PolarHBondContact O-N 2.88Å; A170-L174 VanDerWaalsContact O-N 3.1Å
171Q97Very high91.5Very high62 Ų6240.3 Ų40.329%0.2920%0.201SC..Hα-helixtrans-62.4-53.8174.4-176-1782.900112V52 Q167 K168 I169 A173 L174 E175V52-Q171 HydrophobicContact CG1-CB 4.13Å; Q167-Q171 PolarHBondContact O-N 2.84Å; K168-Q171 PolarHBondContact O-N 3.29Å; I169-Q171 VanDerWaalsContact C-N 3.33Å; I169-Q171 PolarHBondContact O-N 2.66Å; Q171-A173 VanDerWaalsContact C-N 3.32Å; Q171-A173 PolarHBondContact O-N 2.99Å; Q171-L174 PolarHBondContact O-N 3.14Å; Q171-L174 VanDerWaalsContact O-N 3.1Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.33Å; Q171-E175 PolarHBondContact NE2-OE1 3.01Å; Q171-E175 WeakPolarHBondContact O-CG 3.33Å; Q171-E175 PolarHBondContact O-N 3.04Å
172D96.7Very high89.5Confident18 Ų1843 Ų4310%0.09622%0.215CC..Hα-helixtrans-66.1-37.1-175.1-64.9-2.7000111.6P119 K168 I169 R176P119-D172 HydrophobicContact CB-CB 3.94Å; K168-D172 WeakPolarHBondContact CD-OD1 3.44Å; K168-D172 WeakPolarHBondContact CE-OD1 3.32Å; K168-D172 WeakPolarHBondContact CE-OD2 3.14Å; K168-D172 IonicContact NZ-OD1 3.04Å; K168-D172 PolarHBondContact NZ-OD1 3.47Å; K168-D172 IonicContact NZ-OD2 3.07Å; K168-D172 PolarHBondContact O-N 2.96Å; I169-D172 PolarHBondContact O-N 2.98Å; D172-R176 PolarHBondContact O-N 3.18Å
173A95.8Very high87.6Confident0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-64-39.2173.300000112.4L9 D82 C83 I169 Q171 R176 E177L9-A173 HydrophobicContact CB-CB 4.27Å; L9-A173 HydrophobicContact CD1-CB 4.09Å; L9-A173 HydrophobicContact CD2-CB 4.18Å; L9-A173 HydrophobicContact CG-CB 4.41Å; D82-A173 HydrophobicContact CB-CB 3.9Å; C83-A173 HydrophobicContact CB-CB 3.85Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.45Å; I169-A173 PolarHBondContact O-N 3.4Å; Q171-A173 VanDerWaalsContact C-N 3.32Å; Q171-A173 PolarHBondContact O-N 2.99Å; A173-R176 PolarHBondContact O-N 3.09Å; A173-E177 PolarHBondContact O-N 3.35Å
174L93.8Very high85.5Confident0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-74.3-36.1-178.7-174.260.4000112.9V7 L9 V52 R55 V57 A170 Q171 R176 E177 S178V7-L174 HydrophobicContact CG1-CD1 3.76Å; L9-L174 HydrophobicContact CD1-CB 4.06Å; L9-L174 HydrophobicContact CD2-CB 4.46Å; L9-L174 HydrophobicContact CD2-CD1 4.32Å; V52-L174 HydrophobicContact CB-CD2 3.79Å; V52-L174 HydrophobicContact CG1-CD2 3.71Å; R55-L174 VanDerWaalsContact CZ-CD2 3.48Å; R55-L174 VanDerWaalsContact NH2-CD2 3.26Å; R55-L174 VanDerWaalsContact NH2-CG 3.32Å; V57-L174 HydrophobicContact CG1-CD1 4.02Å; V57-L174 HydrophobicContact CG1-CD2 4Å; A170-L174 WeakPolarHBondContact O-CB 3.33Å; A170-L174 PolarHBondContact O-N 2.88Å; A170-L174 VanDerWaalsContact O-N 3.1Å; Q171-L174 PolarHBondContact O-N 3.14Å; Q171-L174 VanDerWaalsContact O-N 3.1Å; L174-R176 VanDerWaalsContact C-N 3.31Å; L174-E177 PolarHBondContact O-N 3.07Å; L174-S178 WeakPolarHBondContact O-CB 3.43Å; L174-S178 PolarHBondContact O-N 3.36Å; L174-S178 VanDerWaalsContact O-N 3.08Å; L174-S178 PolarHBondContact O-OG 2.88Å
175E92Very high83.3Confident83 Ų8353.4 Ų53.439%0.38826%0.262SS..Hα-helixtrans-60.9-42.6172.7-73.7175.8-166.900110.4Q171 S178 Q179Q171-E175 WeakPolarHBondContact CG-OE1 3.33Å; Q171-E175 PolarHBondContact NE2-OE1 3.01Å; Q171-E175 WeakPolarHBondContact O-CG 3.33Å; Q171-E175 PolarHBondContact O-N 3.04Å; E175-S178 PolarHBondContact O-N 3.48Å; E175-Q179 WeakPolarHBondContact O-CG 3.33Å; E175-Q179 PolarHBondContact O-N 3.38Å
176R86.9Confident81Confident18 Ų1856.4 Ų56.47%0.06829%0.293CS..Hα-helixtrans-62.5-49.7173.8-175.6-174.4-179.782.312.4113D82 P119 D172 A173 L174 S178 Q179 E180D82-R176 WeakPolarHBondContact O-CD 3.29Å; P119-R176 HydrophobicContact CG-CB 4.31Å; D172-R176 PolarHBondContact O-N 3.18Å; A173-R176 PolarHBondContact O-N 3.09Å; L174-R176 VanDerWaalsContact C-N 3.31Å; R176-S178 PolarHBondContact O-N 3.29Å; R176-Q179 PolarHBondContact O-N 3.3Å; R176-Q179 VanDerWaalsContact O-N 3.1Å; R176-E180 IonicContact CZ-OE1 3.26Å; R176-E180 VanDerWaalsContact CZ-OE1 3.31Å; R176-E180 IonicContact NE-OE1 2.7Å; R176-E180 PolarHBondContact NE-OE1 2.81Å; R176-E180 VanDerWaalsContact NE-OE1 3.09Å; R176-E180 IonicContact NH2-OE1 3.88Å; R176-E180 PolarHBondContact NH2-OE1 3.4Å; R176-E180 PolarHBondContact O-N 3.21Å
177E83.2Confident78.6Confident51 Ų5163.1 Ų63.124%0.23833%0.329CS..Hα-helixtrans-58.2-38.3-180-169.6-86.6166.700111.4V7 L9 A173 L174 Q179 E180 G181V7-E177 HydrophobicContact CG1-CG 4.43Å; L9-E177 HydrophobicContact CD2-CB 4.3Å; A173-E177 PolarHBondContact O-N 3.35Å; L174-E177 PolarHBondContact O-N 3.07Å; E177-Q179 PolarHBondContact O-N 3.29Å; E177-E180 PolarHBondContact O-N 3.26Å; E177-G181 PolarHBondContact O-N 2.58Å
178S80.6Confident75.9Confident36 Ų3667.7 Ų67.725%0.25235%0.348SS..Hα-helixtrans-65.5-39178.3-55.80000111.8R55 L174 E175 R176 L182R55-S178 PolarHBondContact NH1-OG 3.49Å; L174-S178 WeakPolarHBondContact O-CB 3.43Å; L174-S178 PolarHBondContact O-N 3.36Å; L174-S178 VanDerWaalsContact O-N 3.08Å; L174-S178 PolarHBondContact O-OG 2.88Å; E175-S178 PolarHBondContact O-N 3.48Å; R176-S178 PolarHBondContact O-N 3.29Å; S178-L182 WeakPolarHBondContact O-CD1 3.21Å; S178-L182 PolarHBondContact O-N 2.96Å; S178-L182 VanDerWaalsContact O-N 3.16Å
179Q74.3Confident73.4Confident120 Ų12070.4 Ų70.456%0.56137%0.372SS*.Hα-helixtrans-67.1-48176.5-70.5169.7-6.700111.8E175 R176 E177 G181 L182 D183E175-Q179 WeakPolarHBondContact O-CG 3.33Å; E175-Q179 PolarHBondContact O-N 3.38Å; R176-Q179 PolarHBondContact O-N 3.3Å; R176-Q179 VanDerWaalsContact O-N 3.1Å; E177-Q179 PolarHBondContact O-N 3.29Å; Q179-G181 PolarHBondContact O-N 2.83Å; Q179-L182 WeakPolarHBondContact O-CB 3.23Å; Q179-L182 PolarHBondContact O-N 3.38Å; Q179-D183 PolarHBondContact O-N 3.15Å
180E72.3Confident71.1Confident54 Ų5477.9 Ų77.925%0.25241%0.412SS..Hα-helixtrans-62.7-33.2178.5-67.7-170.1178.600112.1R176 E177 L184R176-E180 IonicContact CZ-OE1 3.26Å; R176-E180 VanDerWaalsContact CZ-OE1 3.31Å; R176-E180 IonicContact NE-OE1 2.7Å; R176-E180 PolarHBondContact NE-OE1 2.81Å; R176-E180 VanDerWaalsContact NE-OE1 3.09Å; R176-E180 IonicContact NH2-OE1 3.88Å; R176-E180 PolarHBondContact NH2-OE1 3.4Å; R176-E180 PolarHBondContact O-N 3.21Å; E177-E180 PolarHBondContact O-N 3.26Å; E180-L184 WeakPolarHBondContact O-CG 3.42Å; E180-L184 PolarHBondContact O-N 3.25Å
181G65.4Low68.7Low26 Ų2686.3 Ų86.327%0.26845%0.451SS..Hα-helixtrans-65.7-39.2172.900000113.2E177 Q179 Y185E177-G181 PolarHBondContact O-N 2.58Å; Q179-G181 PolarHBondContact O-N 2.83Å; G181-Y185 WeakPolarHBondContact O-CD2 3.44Å
182L58.1Low66.3Low124 Ų12490.4 Ų90.465%0.64947%0.474SS*.Hα-helixtrans-68.9-42.7177.2-101.6130.3000112.1S178 Q179 L184 Y185 G186S178-L182 WeakPolarHBondContact O-CD1 3.21Å; S178-L182 PolarHBondContact O-N 2.96Å; S178-L182 VanDerWaalsContact O-N 3.16Å; Q179-L182 WeakPolarHBondContact O-CB 3.23Å; Q179-L182 PolarHBondContact O-N 3.38Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 2.85Å; L182-Y185 PolarHBondContact O-N 3.11Å; L182-G186 PolarHBondContact O-N 2.75Å
183D57.4Low63.6Low106 Ų10699.9 Ų99.957%0.56751%0.508SS*.Hα-helixtrans-60.4-37.2179.1-65.8-24000111.7Q179 Y185 G186 D187Q179-D183 PolarHBondContact O-N 3.15Å; D183-Y185 PolarHBondContact O-N 2.95Å; D183-G186 PolarHBondContact O-N 3.39Å; D183-D187 PolarHBondContact O-N 3.09Å
184L54.6Low61Low104 Ų104107 Ų10755%0.54555%0.545SS..Hα-helixtrans-63.5-26175.4-74.3166000113.7E180 L182 F188E180-L184 WeakPolarHBondContact O-CG 3.42Å; E180-L184 PolarHBondContact O-N 3.25Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 2.85Å; L184-F188 WeakPolarHBondContact O-CE2 3.27Å
185Y52.3Low58.6Low193 Ų193113.9 Ų113.976%0.75758%0.582SS**Hα-helixtrans-91.6-25.2173.8-71.9-75.8000112.7G181 L182 D183 D187G181-Y185 WeakPolarHBondContact O-CD2 3.44Å; L182-Y185 PolarHBondContact O-N 3.11Å; D183-Y185 PolarHBondContact O-N 2.95Å; Y185-D187 VanDerWaalsContact C-N 3.31Å
186G50.4Low56.4Low64 Ų64118.9 Ų118.966%0.6661%0.605SS**Hα-helixtrans-70.4-24.9177.500000114L182 D183L182-G186 PolarHBondContact O-N 2.75Å; D183-G186 PolarHBondContact O-N 3.39Å
187D47.5Very low54.2Low141 Ų141126.3 Ų126.375%0.75464%0.641SS**THydrogen-bonded Turntrans-97.122.5-172.2-112.42.8000115D183 Y185 P189D183-D187 PolarHBondContact O-N 3.09Å; Y185-D187 VanDerWaalsContact C-N 3.31Å; D187-P189 WeakPolarHBondContact O-CD 3.38Å
188F42.4Very low52.1Low164 Ų164133.3 Ų133.372%0.71968%0.676SS**  trans-88.793.8163.3-75.8-82.5000109.3L184 D190L184-F188 WeakPolarHBondContact O-CE2 3.27Å; F188-D190 PolarHBondContact O-N 2.93Å
189P45.5Very low50.1Low114 Ų114136.6 Ų136.674%0.7470%0.699SS**  trans-59.3138.9168.825.8-32.7000108.6D187 Q191D187-P189 WeakPolarHBondContact O-CD 3.38Å; P189-Q191 PolarHBondContact O-N 3.4Å
190D49.4Very low48.5Very low157 Ų157140.3 Ų140.384%0.8472%0.716SS**SBendtrans-30125.8-174.6-77.3-51.4000113.4F188 I192F188-D190 PolarHBondContact O-N 2.93Å; D190-I192 PolarHBondContact O-N 3.28Å; D190-I192 VanDerWaalsContact O-N 3.11Å
191Q46.3Very low46.9Very low177 Ų177141.1 Ų141.183%0.82774%0.739SS**  trans-33.6118.1175-68.3173.60.100110.8P189 R193P189-Q191 PolarHBondContact O-N 3.4Å; Q191-R193 VanDerWaalsContact C-N 3.3Å; Q191-R193 PolarHBondContact O-N 2.69Å
192I46.5Very low45.7Very low149 Ų149150.3 Ų150.376%0.76477%0.772SS**  trans-57.599.2171-60.1173.1000106.7D190 L194D190-I192 PolarHBondContact O-N 3.28Å; D190-I192 VanDerWaalsContact O-N 3.11Å; I192-L194 VanDerWaalsContact C-N 3.26Å; I192-L194 HydrophobicContact CG2-CD2 4.03Å; I192-L194 HydrophobicContact CG2-CG 4.07Å; I192-L194 PolarHBondContact O-N 2.74Å
193R40.9Very low44.8Very low217 Ų217152.5 Ų152.582%0.81978%0.779SS**  trans-70.590169.6-71.4-173.4-179.5-177.72.3107.1Q191 N195Q191-R193 VanDerWaalsContact C-N 3.3Å; Q191-R193 PolarHBondContact O-N 2.69Å; R193-N195 PolarHBondContact O-N 3.19Å
194L41.6Very low44Very low148 Ų148153 Ų15378%0.77579%0.79SS**  trans-66.590164.9-68.1170.2000107I192 E196I192-L194 VanDerWaalsContact C-N 3.26Å; I192-L194 HydrophobicContact CG2-CD2 4.03Å; I192-L194 HydrophobicContact CG2-CG 4.07Å; I192-L194 PolarHBondContact O-N 2.74Å; L194-E196 PolarHBondContact O-N 3.49Å
195N43.1Very low43.4Very low145 Ų145159 Ų15978%0.77581%0.808SS**  trans-62.4104.2167-82.6-9.2000107.6R193 Q197R193-N195 PolarHBondContact O-N 3.19Å; N195-Q197 VanDerWaalsContact C-N 3.26Å; N195-Q197 PolarHBondContact O-N 3.48Å
196E45Very low42.8Very low188 Ų188154.7 Ų154.788%0.87981%0.805SS**  trans-6279.8170-70.2-179.2135.100110.7L194L194-E196 PolarHBondContact O-N 3.49Å
197Q41.3Very low42.2Very low174 Ų174157 Ų15781%0.81381%0.81SS**  trans-146.569168.2-73.7-163.8-21.700112.3N195N195-Q197 VanDerWaalsContact C-N 3.26Å; N195-Q197 PolarHBondContact O-N 3.48Å
198M39.2Very low41.9Very low198 Ų198157.7 Ų157.798%0.97581%0.814SS**  trans-145.153.6149.5-69.3-163.98600110.5
199S39.5Very low42.6Very low106 Ų106159.1 Ų159.174%0.74184%0.842SS**  trans-106.559.3168.154.70000110.5
200Q39Very low42.4Very low198 Ų198161.4 Ų161.493%0.92585%0.847SS**  trans-16182.7166.1-110.9164.667.600110.8
201G39.3Very low42.1Very low71 Ų71161.6 Ų161.673%0.73285%0.848SS**  trans-166.333.7178.600000113.1Q203G201-Q203 PolarHBondContact O-N 3.13Å
202K39.4Very low41.8Very low218 Ų218160.8 Ų160.895%0.94885%0.849SS**  trans-7677.9166-78-173.4177.1-179.60108.2
203Q39.6Very low41.6Very low170 Ų170161.5 Ų161.579%0.79485%0.854SS**  trans-74.6122161.9-80.4-177.7-10.600108.1G201 Y205G201-Q203 PolarHBondContact O-N 3.13Å; Q203-Y205 PolarHBondContact O-N 3.19Å
204S40.9Very low41.6Very low116 Ų116158 Ų15881%0.81186%0.856SS**  trans-57.7114.4177.746.50000111.6S206S204-S206 PolarHBondContact O-N 3.46Å
205Y41.7Very low41.6Very low232 Ų232158.7 Ų158.791%0.9186%0.861SS**  trans-80100.4162.8-72.1-87.2000108.4Q203Q203-Y205 PolarHBondContact O-N 3.19Å
206S40.2Very low41.5Very low102 Ų102159.6 Ų159.671%0.71387%0.868SS**  trans-80.7115.1164.6159.60000107.5S204S204-S206 PolarHBondContact O-N 3.46Å
207C38.9Very low41.2Very low113 Ų113157.5 Ų157.576%0.76487%0.867SS**  trans-86.1110.7177.2-164.70000108.2
208N39.2Very low41.2Very low155 Ų155156.1 Ų156.183%0.82987%0.871SS**  trans-100.8107165.2-92.3-0.9000107.7
209C57.7Low41.4Very low194 Ų194152.3 Ų152.3100%1.31186%0.862SS**  trans-124.80155-73.70000107.2

Retrieved 209 of 209 residues in 185.4 ms (Link to these results)

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