G4VRU6_SCHMA Loading...

Putative ras-dva small gtpase

AlphaFold DB , UniProt , Accession G4VRU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M41.8Very low71.3Confident228 Ų22892 Ų92100%1.12346%0.457SS*.  0135.20-70.3178.4-174.600105.1D3M1-D3 PolarHBondContact O-N 2.99Å
2D43.2Very low73.4Confident117 Ų11784.3 Ų84.363%0.62642%0.418SS*.  trans-56.6123.7179.2-119.4-22.3000109.2Q4 E5D2-Q4 PolarHBondContact O-N 3.24Å; D2-E5 PolarHBondContact O-N 3.42Å; D2-E5 VanDerWaalsContact O-N 3.1Å
3D55.6Low75.2Confident126 Ų12678 Ų7867%0.67439%0.387SS*.G310 helixtrans-59.1-21.5179.3-77.1-30.7000111.9M1 E5 Q6M1-D3 PolarHBondContact O-N 2.99Å; D3-E5 PolarHBondContact O-N 3Å; D3-E5 VanDerWaalsContact O-N 3.11Å; D3-Q6 PolarHBondContact O-N 3.45Å; D3-Q6 PolarHBondContact OD1-NE2 3Å; D3-Q6 VanDerWaalsContact OD1-NE2 3.13Å
4Q55Low76.7Confident153 Ų15372.7 Ų72.772%0.71536%0.361SS*.G310 helixtrans-67.1-4.5176.3-64.5-167.8-4.600115D2 R61D2-Q4 PolarHBondContact O-N 3.24Å; Q4-R61 VanDerWaalsContact O-CZ 3.28Å; Q4-R61 PolarHBondContact O-NH1 3.01Å; Q4-R61 PolarHBondContact O-NH2 3.39Å
5E67.8Low78Confident131 Ų13168.3 Ų68.361%0.61234%0.341SS*.G310 helixtrans-105.7-5.1176.4-69.8-167.2163.700114.3D2 D3 R61D2-E5 PolarHBondContact O-N 3.42Å; D2-E5 VanDerWaalsContact O-N 3.1Å; D3-E5 PolarHBondContact O-N 3Å; D3-E5 VanDerWaalsContact O-N 3.11Å; E5-R61 WeakPolarHBondContact O-CD 3.4Å; E5-R61 PolarHBondContact O-NH1 3.36Å
6Q78.7Confident79.1Confident118 Ų11867.8 Ų67.855%0.55134%0.338SS*.SBendtrans-68.7143.9-179.6-61.4-163.627.400111.6D3 R61D3-Q6 PolarHBondContact O-N 3.45Å; D3-Q6 PolarHBondContact OD1-NE2 3Å; D3-Q6 VanDerWaalsContact OD1-NE2 3.13Å; Q6-R61 PolarHBondContact O-NH1 3.3Å
7P81Confident80Confident32 Ų3265.1 Ų65.121%0.20833%0.328CS..  trans-67.9142171.529.9-33.9000110A9 R61 R63P7-A9 VanDerWaalsContact C-N 3.33Å; P7-R61 CarbonylContact C-O 3.58Å; P7-R61 HydrophobicContact CB-CG 4.48Å; P7-R63 HydrophobicContact CB-CB 3.85Å; P7-R63 HydrophobicContact CG-CB 3.97Å
8H84.8Confident80.9Confident51 Ų5167.9 Ų67.924%0.23634%0.34CS..SBendtrans-72.7-30.7176.5-59.488.8000111.9L59 R61 I187 L188 F189 D190H8-L59 PolarHBondContact CE1-O 2.95Å; H8-L59 VanDerWaalsContact CE1-O 3.28Å; H8-R61 PolarHBondContact N-O 3.07Å; H8-R61 WeakPolarHBondContact ND1-CB 3.38Å; H8-R61 PolarHBondContact ND1-N 2.98Å; H8-R61 VanDerWaalsContact ND1-N 3.13Å; H8-R61 PolarHBondContact ND1-O 3.38Å; H8-I187 HydrophobicContact CB-CG2 4.01Å; H8-L188 PolarHBondContact CD2-O 3.29Å; H8-F189 HydrophobicContact CB-CD1 3.76Å; H8-F189 HydrophobicContact CB-CE1 3.85Å; H8-F189 AromaticContact CG-CD1 3.75Å; H8-F189 AromaticContact ND1-CD1 3.99Å; H8-D190 IonicContact CE1-OD2 3.81Å; H8-D190 VanDerWaalsContact NE2-CG 3.35Å; H8-D190 PolarHBondContact NE2-N 2.94Å; H8-D190 IonicContact NE2-OD1 3.55Å; H8-D190 IonicContact NE2-OD2 3.65Å; H8-D190 PolarHBondContact NE2-OD2 3.16Å
9A90.2Very high81.7Confident3 Ų364.3 Ų64.33%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-152.2151.8-173.300000112.4P7 L62 R63 S85 I187P7-A9 VanDerWaalsContact C-N 3.33Å; A9-L62 HydrophobicContact CB-CD2 3.9Å; A9-R63 PolarHBondContact O-N 3.35Å; A9-S85 WeakPolarHBondContact CA-OG 3.36Å; A9-S85 WeakPolarHBondContact CB-OG 3.29Å; A9-I187 HydrophobicContact CB-CD1 3.57Å; A9-I187 HydrophobicContact CB-CG1 4Å; A9-I187 HydrophobicContact CB-CG2 3.75Å
10E91.6Very high82.4Confident50 Ų5062 Ų6223%0.23432%0.315CS..EExtended strand (participates in β ladder)trans-105.5120.9173.2-60.8-174.614100109.4R63 S85 A86E10-R63 CarbonylContact C-O 3.55Å; E10-R63 WeakPolarHBondContact CA-O 3.27Å; E10-R63 HydrophobicContact CG-CB 4.26Å; E10-S85 PolarHBondContact N-OG 3.13Å; E10-S85 VanDerWaalsContact N-OG 3.16Å; E10-S85 WeakPolarHBondContact O-CB 3.46Å; E10-S85 PolarHBondContact O-N 3.28Å; E10-A86 PolarHBondContact O-N 3.33Å
11V94.8Very high83.1Confident3 Ų359.5 Ų59.52%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-108.3116.5177.1-177.80000107.9F13 L62 R63 L64 I65 A86 V88 L175V11-F13 HydrophobicContact CG1-CE2 4.07Å; V11-L62 HydrophobicContact CG2-CB 4.47Å; V11-L62 HydrophobicContact CG2-CD1 4.2Å; V11-L62 HydrophobicContact CG2-CD2 4.4Å; V11-R63 PolarHBondContact N-O 3.46Å; V11-L64 HydrophobicContact CB-CD2 4.01Å; V11-L64 HydrophobicContact CG2-CD2 4.38Å; V11-L64 WeakPolarHBondContact O-CA 3.38Å; V11-I65 PolarHBondContact O-N 3.2Å; V11-A86 WeakPolarHBondContact CA-O 3.46Å; V11-A86 HydrophobicContact CG2-CB 4.34Å; V11-V88 HydrophobicContact CG1-CG2 3.69Å; V11-L175 HydrophobicContact CG1-CD1 4.11Å
12V96.3Very high85.5Confident0 Ų050.9 Ų50.90%026%0.262CS..EExtended strand (participates in β ladder)trans-103.1123.5-174.8-174.70000110.4M14 I65 T67 W80 A84 A86 F87 V88V12-M14 HydrophobicContact CG1-CG 3.74Å; V12-M14 HydrophobicContact CG1-SD 4.29Å; V12-I65 HydrophobicContact CB-CB 4.39Å; V12-I65 HydrophobicContact CG1-CB 4.3Å; V12-I65 HydrophobicContact CG1-CG2 4.34Å; V12-I65 HydrophobicContact CG2-CB 4Å; V12-I65 HydrophobicContact CG2-CG1 4.05Å; V12-T67 HydrophobicContact CG1-CG2 3.62Å; V12-W80 HydrophobicContact CG1-CB 4.1Å; V12-W80 HydrophobicContact CG1-CG 4.1Å; V12-W80 HydrophobicContact CG2-CB 4.14Å; V12-W80 HydrophobicContact CG2-CD2 4.08Å; V12-W80 HydrophobicContact CG2-CE3 3.9Å; V12-W80 HydrophobicContact CG2-CG 4.18Å; V12-A84 HydrophobicContact CB-CB 4.23Å; V12-A84 HydrophobicContact CG2-CB 3.52Å; V12-A86 PolarHBondContact N-O 3.39Å; V12-F87 HydrophobicContact CB-CD1 4.33Å; V12-F87 WeakPolarHBondContact O-CA 3.25Å; V12-V88 PolarHBondContact O-N 2.79Å
13F96.7Very high87.9Confident2 Ų246.6 Ų46.61%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-88120.5173.9-73.3-109.2000109V11 K21 L24 V25 I28 L64 I65 T67 V88 V90V11-F13 HydrophobicContact CG1-CE2 4.07Å; F13-K21 HydrophobicContact CB-CB 4.43Å; F13-L24 HydrophobicContact CE1-CB 4.3Å; F13-V25 HydrophobicContact CB-CG2 4.26Å; F13-V25 HydrophobicContact CD1-CG2 3.74Å; F13-V25 HydrophobicContact CD2-CG2 3.55Å; F13-V25 HydrophobicContact CE1-CG2 3.9Å; F13-V25 HydrophobicContact CE2-CG2 3.75Å; F13-V25 HydrophobicContact CG-CG2 3.56Å; F13-V25 HydrophobicContact CZ-CG2 3.92Å; F13-I28 HydrophobicContact CE1-CD1 4.2Å; F13-I28 HydrophobicContact CZ-CD1 3.74Å; F13-L64 HydrophobicContact CE2-CB 4.27Å; F13-L64 HydrophobicContact CE2-CD2 4.26Å; F13-I65 PolarHBondContact N-O 3.13Å; F13-T67 WeakPolarHBondContact O-CB 3.09Å; F13-T67 WeakPolarHBondContact O-CG2 3.46Å; F13-T67 PolarHBondContact O-OG1 3.37Å; F13-V88 CarbonylContact C-O 3.55Å; F13-V88 WeakPolarHBondContact CA-O 3.47Å; F13-V88 HydrophobicContact CD1-CB 3.82Å; F13-V88 HydrophobicContact CD1-CG1 3.7Å; F13-V88 HydrophobicContact CD2-CB 4.39Å; F13-V88 HydrophobicContact CE1-CB 3.87Å; F13-V88 HydrophobicContact CE1-CG1 3.57Å; F13-V88 HydrophobicContact CE1-CG2 4.18Å; F13-V88 HydrophobicContact CE2-CB 4.4Å; F13-V88 HydrophobicContact CE2-CG2 4.23Å; F13-V88 HydrophobicContact CG-CB 4.1Å; F13-V88 HydrophobicContact CG-CG1 4.46Å; F13-V88 HydrophobicContact CZ-CB 4.15Å; F13-V88 HydrophobicContact CZ-CG1 4.23Å; F13-V88 HydrophobicContact CZ-CG2 3.99Å; F13-V90 HydrophobicContact CD1-CG2 4.24Å
14M96.3Very high89.8Confident4 Ų440.6 Ų40.62%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-129.7153.9-178.9-54.4-175.97500110.6V12 Q81 F87 V88 L89 V90 I105V12-M14 HydrophobicContact CG1-CG 3.74Å; V12-M14 HydrophobicContact CG1-SD 4.29Å; M14-Q81 HydrophobicContact CE-CG 4.47Å; M14-F87 HydrophobicContact SD-CD1 3.91Å; M14-F87 HydrophobicContact SD-CE1 4.13Å; M14-V88 PolarHBondContact N-O 3.36Å; M14-L89 HydrophobicContact CB-CD2 3.87Å; M14-L89 CarbonylContact O-C 3.56Å; M14-L89 WeakPolarHBondContact O-CA 3.4Å; M14-V90 PolarHBondContact O-N 2.92Å; M14-I105 HydrophobicContact CB-CD1 4.11Å; M14-I105 HydrophobicContact CB-CG2 4.37Å; M14-I105 HydrophobicContact CE-CG2 4.03Å; M14-I105 HydrophobicContact SD-CG2 4Å
15G96.4Very high91.6Very high7 Ų733.3 Ų33.37%0.07218%0.177CC..  trans150.6171.4-175.400000111.2K21G15-K21 PolarHBondContact O-NZ 3.29Å
16E95.7Very high92.6Very high60 Ų6028.7 Ų28.728%0.2816%0.156SC..  trans-63.7168.4-178.2-166.1164.5-155.400112.9V19 K21 N95 S97 S98 R101E16-V19 HydrophobicContact CB-CG1 3.95Å; E16-V19 VanDerWaalsContact O-CG2 3.27Å; E16-V19 WeakPolarHBondContact O-CG2 3.4Å; E16-K21 PolarHBondContact O-NZ 3.06Å; E16-N95 PolarHBondContact OE2-ND2 3.3Å; E16-N95 VanDerWaalsContact OE2-ND2 3.12Å; E16-S97 PolarHBondContact OE1-OG 3.15Å; E16-S97 PolarHBondContact OE2-OG 3.02Å; E16-S98 VanDerWaalsContact OE2-CA 3.23Å; E16-S98 WeakPolarHBondContact OE2-CA 3.47Å; E16-S98 PolarHBondContact OE2-N 2.87Å; E16-R101 HydrophobicContact CB-CB 4.34Å; E16-R101 HydrophobicContact CB-CG 4.29Å
17A94.8Very high93.2Very high22 Ų2223.8 Ų23.818%0.18213%0.132CC..THydrogen-bonded Turntrans-55.9149.8168.900000111V19 G69 S70A17-V19 PolarHBondContact O-N 3.16Å; A17-G69 PolarHBondContact N-O 2.83Å; A17-S70 WeakPolarHBondContact CB-OG 3.24Å
18Q95Very high93.6Very high115 Ų11522.7 Ų22.754%0.53712%0.124SC..THydrogen-bonded Turntrans616.1171.6-57.7178.72.600117.2G20 Y41 K128Q18-G20 PolarHBondContact O-N 3.36Å; Q18-Y41 HydrophobicContact CB-CE2 4.47Å; Q18-Y41 HydrophobicContact CG-CD1 3.66Å; Q18-Y41 HydrophobicContact CG-CD2 3.75Å; Q18-Y41 HydrophobicContact CG-CE1 3.51Å; Q18-Y41 HydrophobicContact CG-CE2 3.65Å; Q18-Y41 HydrophobicContact CG-CG 3.76Å; Q18-K128 WeakPolarHBondContact O-CE 3.47Å; Q18-K128 PolarHBondContact O-NZ 3.14Å
19V97.2Very high93.7Very high0 Ų021.3 Ų21.30%012%0.119CC..SBendtrans-70.7-13.1172.7-56.30000113.3E16 A17 K21 V90 A92 S98 N127E16-V19 HydrophobicContact CB-CG1 3.95Å; E16-V19 VanDerWaalsContact O-CG2 3.27Å; E16-V19 WeakPolarHBondContact O-CG2 3.4Å; A17-V19 PolarHBondContact O-N 3.16Å; V19-K21 HydrophobicContact CG2-CD 4.44Å; V19-K21 HydrophobicContact CG2-CG 3.67Å; V19-V90 HydrophobicContact CB-CG1 4.13Å; V19-V90 HydrophobicContact CG2-CB 3.86Å; V19-V90 HydrophobicContact CG2-CG1 3.72Å; V19-A92 HydrophobicContact CB-CB 4.07Å; V19-A92 HydrophobicContact CG1-CB 4.28Å; V19-S98 VanDerWaalsContact CG1-CB 3.47Å; V19-N127 PolarHBondContact O-ND2 3.45Å
20G95.6Very high93.4Very high18 Ų1824 Ų2419%0.18613%0.13CC..SBendtrans9822.3176.100000116.1Q18 T22 A23 L24Q18-G20 PolarHBondContact O-N 3.36Å; G20-T22 PolarHBondContact O-N 3.2Å; G20-A23 WeakPolarHBondContact O-CB 3.47Å; G20-A23 PolarHBondContact O-N 3.32Å; G20-A23 VanDerWaalsContact O-N 3.14Å; G20-L24 WeakPolarHBondContact O-CG 3.29Å; G20-L24 PolarHBondContact O-N 2.89Å
21K95.9Very high92.8Very high10 Ų1022.3 Ų22.34%0.04313%0.125CC..Hα-helixtrans-49.9-56.3176.4-60-170.8-63.3-76.50113F13 G15 E16 V19 A23 L24 V25 T67 V90F13-K21 HydrophobicContact CB-CB 4.43Å; G15-K21 PolarHBondContact O-NZ 3.29Å; E16-K21 PolarHBondContact O-NZ 3.06Å; V19-K21 HydrophobicContact CG2-CD 4.44Å; V19-K21 HydrophobicContact CG2-CG 3.67Å; K21-A23 VanDerWaalsContact C-N 3.3Å; K21-A23 PolarHBondContact O-N 3.37Å; K21-L24 WeakPolarHBondContact O-CB 3.43Å; K21-L24 PolarHBondContact O-N 3.42Å; K21-V25 WeakPolarHBondContact O-CG2 3.46Å; K21-V25 PolarHBondContact O-N 3.19Å; K21-T67 WeakPolarHBondContact CE-O 3Å; K21-V90 HydrophobicContact CG-CB 4.1Å; K21-V90 HydrophobicContact CG-CG2 4.08Å
22T93Very high91.7Very high46 Ų4624 Ų2428%0.28214%0.137SC..Hα-helixtrans-58.5-42.2177.5-52.70000111.9G20 L24 V25 Q26 T44 D66G20-T22 PolarHBondContact O-N 3.2Å; T22-L24 PolarHBondContact O-N 3.08Å; T22-V25 PolarHBondContact O-N 3.49Å; T22-Q26 HydrophobicContact CG2-CG 4.19Å; T22-Q26 WeakPolarHBondContact O-CB 3.38Å; T22-Q26 WeakPolarHBondContact O-CG 3.34Å; T22-Q26 PolarHBondContact O-N 3.04Å; T22-T44 PolarHBondContact OG1-OG1 3.23Å; T22-D66 VanDerWaalsContact CA-OD2 3.22Å; T22-D66 WeakPolarHBondContact CA-OD2 3.39Å; T22-D66 WeakPolarHBondContact CB-OD2 3.31Å; T22-D66 VanDerWaalsContact CG2-OD2 3.3Å; T22-D66 WeakPolarHBondContact CG2-OD2 3.44Å; T22-D66 PolarHBondContact N-OD1 3.49Å; T22-D66 PolarHBondContact OG1-OD1 3.17Å; T22-D66 PolarHBondContact OG1-OD2 2.9Å
23A93.9Very high90.4Very high28 Ų2828.2 Ų28.223%0.23117%0.167CC..Hα-helixtrans-61.5-45.1177.900000111.5G20 K21 Q26 R27 W37 A162G20-A23 WeakPolarHBondContact O-CB 3.47Å; G20-A23 PolarHBondContact O-N 3.32Å; G20-A23 VanDerWaalsContact O-N 3.14Å; K21-A23 VanDerWaalsContact C-N 3.3Å; K21-A23 PolarHBondContact O-N 3.37Å; A23-Q26 PolarHBondContact O-N 3.47Å; A23-R27 VanDerWaalsContact O-CG 3.24Å; A23-R27 WeakPolarHBondContact O-CG 3.45Å; A23-R27 PolarHBondContact O-N 2.83Å; A23-W37 HydrophobicContact CB-CH2 3.95Å; A23-W37 HydrophobicContact CB-CZ3 3.99Å; A23-A162 HydrophobicContact CB-CB 3.63Å
24L94.8Very high89.2Confident0 Ų031.1 Ų31.10%018%0.178CC..Hα-helixtrans-59.7-49.9174.6-68.2170.2000111.9F13 G20 K21 T22 Q26 R27 I28 V90 V125 N127 A160 A162 M168 I171F13-L24 HydrophobicContact CE1-CB 4.3Å; G20-L24 WeakPolarHBondContact O-CG 3.29Å; G20-L24 PolarHBondContact O-N 2.89Å; K21-L24 WeakPolarHBondContact O-CB 3.43Å; K21-L24 PolarHBondContact O-N 3.42Å; T22-L24 PolarHBondContact O-N 3.08Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 2.86Å; L24-R27 WeakPolarHBondContact O-CB 3.38Å; L24-R27 PolarHBondContact O-N 3.25Å; L24-R27 VanDerWaalsContact O-N 3.16Å; L24-I28 WeakPolarHBondContact O-CG1 3.34Å; L24-I28 PolarHBondContact O-N 3.34Å; L24-V90 HydrophobicContact CD1-CB 4.4Å; L24-V90 HydrophobicContact CD1-CG1 3.62Å; L24-V90 HydrophobicContact CD1-CG2 3.8Å; L24-V125 HydrophobicContact CD1-CG1 3.97Å; L24-N127 HydrophobicContact CD1-CB 4.31Å; L24-A160 HydrophobicContact CD2-CB 4.15Å; L24-A162 HydrophobicContact CD2-CB 3.83Å; L24-A162 HydrophobicContact CG-CB 4.12Å; L24-M168 HydrophobicContact CD2-CE 3.42Å; L24-M168 VanDerWaalsContact CD2-CE 3.42Å; L24-M168 HydrophobicContact CD2-SD 3.81Å; L24-I171 HydrophobicContact CD2-CD1 4.42Å
25V92.4Very high87.7Confident0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-58.7-46.3179.1171.60000110.6F13 K21 T22 R27 I28 I29 F49 L64 D66F13-V25 HydrophobicContact CB-CG2 4.26Å; F13-V25 HydrophobicContact CD1-CG2 3.74Å; F13-V25 HydrophobicContact CD2-CG2 3.55Å; F13-V25 HydrophobicContact CE1-CG2 3.9Å; F13-V25 HydrophobicContact CE2-CG2 3.75Å; F13-V25 HydrophobicContact CG-CG2 3.56Å; F13-V25 HydrophobicContact CZ-CG2 3.92Å; K21-V25 WeakPolarHBondContact O-CG2 3.46Å; K21-V25 PolarHBondContact O-N 3.19Å; T22-V25 PolarHBondContact O-N 3.49Å; V25-R27 VanDerWaalsContact C-N 3.34Å; V25-R27 PolarHBondContact O-N 3.3Å; V25-I28 PolarHBondContact O-N 3.14Å; V25-I29 HydrophobicContact CG1-CD1 3.48Å; V25-I29 VanDerWaalsContact CG1-CD1 3.48Å; V25-I29 HydrophobicContact CG1-CG1 4.44Å; V25-I29 VanDerWaalsContact O-CD1 3.26Å; V25-I29 WeakPolarHBondContact O-CD1 3.19Å; V25-I29 WeakPolarHBondContact O-CG1 3.49Å; V25-I29 PolarHBondContact O-N 2.94Å; V25-F49 HydrophobicContact CG1-CD2 3.69Å; V25-F49 HydrophobicContact CG1-CE2 4.03Å; V25-L64 HydrophobicContact CG1-CB 4.28Å; V25-L64 HydrophobicContact CG1-CD1 4.46Å; V25-D66 HydrophobicContact CG1-CB 4.36Å; V25-D66 HydrophobicContact CG2-CB 4.18Å
26Q90.2Very high86.4Confident34 Ų3444 Ų4416%0.15924%0.238CC..Hα-helixtrans-62.4-39.2177.4-69.2-64.1-36.600112.3T22 A23 L24 I29 K30T22-Q26 HydrophobicContact CG2-CG 4.19Å; T22-Q26 WeakPolarHBondContact O-CB 3.38Å; T22-Q26 WeakPolarHBondContact O-CG 3.34Å; T22-Q26 PolarHBondContact O-N 3.04Å; A23-Q26 PolarHBondContact O-N 3.47Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 2.86Å; Q26-I29 PolarHBondContact O-N 3.02Å; Q26-K30 VanDerWaalsContact O-CB 3.25Å; Q26-K30 WeakPolarHBondContact O-CB 3.48Å; Q26-K30 WeakPolarHBondContact O-CG 3.47Å; Q26-K30 PolarHBondContact O-N 2.86Å
27R90.2Very high85.5Confident15 Ų1545.7 Ų45.76%0.05724%0.242CC..Hα-helixtrans-63.1-45.6174.2-72.7-65.4-176.3-171.84.7112A23 L24 V25 I29 K30 G31 Y34 A162 R163 M168A23-R27 VanDerWaalsContact O-CG 3.24Å; A23-R27 WeakPolarHBondContact O-CG 3.45Å; A23-R27 PolarHBondContact O-N 2.83Å; L24-R27 WeakPolarHBondContact O-CB 3.38Å; L24-R27 PolarHBondContact O-N 3.25Å; L24-R27 VanDerWaalsContact O-N 3.16Å; V25-R27 VanDerWaalsContact C-N 3.34Å; V25-R27 PolarHBondContact O-N 3.3Å; R27-I29 VanDerWaalsContact C-N 3.3Å; R27-I29 PolarHBondContact O-N 3.1Å; R27-K30 PolarHBondContact O-N 3.38Å; R27-G31 WeakPolarHBondContact O-CA 3.44Å; R27-G31 PolarHBondContact O-N 2.72Å; R27-Y34 PolarHBondContact NH1-O 3.45Å; R27-A162 WeakPolarHBondContact CD-O 3.44Å; R27-A162 HydrophobicContact CG-CB 4.46Å; R27-A162 WeakPolarHBondContact CG-O 3.33Å; R27-A162 PolarHBondContact NE-O 2.97Å; R27-R163 PolarHBondContact NH2-O 2.93Å; R27-M168 HydrophobicContact CB-CG 3.87Å; R27-M168 HydrophobicContact CB-SD 3.58Å; R27-M168 VanDerWaalsContact CB-SD 3.58Å; R27-M168 HydrophobicContact CG-SD 4.38Å
28I89.6Confident84.7Confident8 Ų850.1 Ų50.14%0.04126%0.262CS..Hα-helixtrans-60.7-39.5176.7-70.2167.6000111.5F13 L24 V25 F53 L64 M168 L172F13-I28 HydrophobicContact CE1-CD1 4.2Å; F13-I28 HydrophobicContact CZ-CD1 3.74Å; L24-I28 WeakPolarHBondContact O-CG1 3.34Å; L24-I28 PolarHBondContact O-N 3.34Å; V25-I28 PolarHBondContact O-N 3.14Å; I28-F53 HydrophobicContact CG2-CE1 4.08Å; I28-F53 HydrophobicContact CG2-CZ 3.57Å; I28-L64 HydrophobicContact CB-CD1 4.28Å; I28-L64 HydrophobicContact CG2-CD1 3.59Å; I28-M168 HydrophobicContact CG1-CB 4.13Å; I28-M168 HydrophobicContact CG1-CG 4.44Å; I28-M168 HydrophobicContact CG1-SD 4.1Å; I28-L172 HydrophobicContact CG2-CD1 4.29Å; I28-L172 HydrophobicContact CG2-CD2 4.45Å
29I86.5Confident84Confident22 Ų2251 Ų5111%0.11327%0.271CS..Hα-helixtrans-76.9-43-178.2-65156.9000112.1V25 Q26 R27 F49 R51 L64V25-I29 HydrophobicContact CG1-CD1 3.48Å; V25-I29 VanDerWaalsContact CG1-CD1 3.48Å; V25-I29 HydrophobicContact CG1-CG1 4.44Å; V25-I29 VanDerWaalsContact O-CD1 3.26Å; V25-I29 WeakPolarHBondContact O-CD1 3.19Å; V25-I29 WeakPolarHBondContact O-CG1 3.49Å; V25-I29 PolarHBondContact O-N 2.94Å; Q26-I29 PolarHBondContact O-N 3.02Å; R27-I29 VanDerWaalsContact C-N 3.3Å; R27-I29 PolarHBondContact O-N 3.1Å; I29-F49 HydrophobicContact CD1-CB 3.25Å; I29-F49 HydrophobicContact CD1-CD1 3.7Å; I29-F49 HydrophobicContact CD1-CD2 3.48Å; I29-F49 VanDerWaalsContact CD1-CD2 3.48Å; I29-F49 HydrophobicContact CD1-CE1 4.38Å; I29-F49 HydrophobicContact CD1-CE2 4.19Å; I29-F49 HydrophobicContact CD1-CG 3.18Å; I29-F49 HydrophobicContact CG1-CB 4Å; I29-F49 HydrophobicContact CG1-CG 4.38Å; I29-R51 PolarHBondContact O-NE 3Å; I29-R51 PolarHBondContact O-NH1 3.2Å; I29-L64 HydrophobicContact CG1-CD1 4.03Å
30K84.7Confident83.4Confident61 Ų6157.4 Ų57.427%0.26530%0.299SS..Hα-helixtrans-90.9-22.7-171.4-61.9178172.8155.20112.8Q26 R27 Y34Q26-K30 VanDerWaalsContact O-CB 3.25Å; Q26-K30 WeakPolarHBondContact O-CB 3.48Å; Q26-K30 WeakPolarHBondContact O-CG 3.47Å; Q26-K30 PolarHBondContact O-N 2.86Å; R27-K30 PolarHBondContact O-N 3.38Å; K30-Y34 HydrophobicContact CB-CD2 4.2Å; K30-Y34 HydrophobicContact CB-CG 3.91Å; K30-Y34 HydrophobicContact CD-CD1 4.01Å; K30-Y34 HydrophobicContact CD-CD2 3.33Å; K30-Y34 HydrophobicContact CD-CE1 4.07Å; K30-Y34 HydrophobicContact CD-CE2 3.38Å; K30-Y34 HydrophobicContact CD-CG 3.65Å; K30-Y34 HydrophobicContact CG-CD2 4.38Å; K30-Y34 HydrophobicContact CG-CG 4.45Å; K30-Y34 VanDerWaalsContact NZ-CZ 3.32Å; K30-Y34 PolarHBondContact NZ-OH 3.4Å; K30-Y34 VanDerWaalsContact NZ-OH 3.15Å
31G78Confident82.8Confident13 Ų1360.6 Ų60.613%0.13431%0.306CS..  trans75.9-170.1179.500000113.9R27 S33 Y34R27-G31 WeakPolarHBondContact O-CA 3.44Å; R27-G31 PolarHBondContact O-N 2.72Å; G31-S33 PolarHBondContact O-N 3.11Å; G31-Y34 WeakPolarHBondContact O-CB 3.34Å; G31-Y34 PolarHBondContact O-N 3.18Å
32S73.1Confident82.3Confident39 Ų3966 Ų6627%0.27333%0.331SS..THydrogen-bonded Turntrans-66.9-19.2-17652.10000114.5Y34 L210S32-Y34 PolarHBondContact O-N 2.92Å; S32-L210 PolarHBondContact OG-O 3.15Å
33S68.2Low81.8Confident88 Ų8866.7 Ų66.762%0.61534%0.336SS*.THydrogen-bonded Turntrans-79-6177.761.40000113.9G31 F35G31-S33 PolarHBondContact O-N 3.11Å; S33-F35 WeakPolarHBondContact O-CD2 3.35Å; S33-F35 WeakPolarHBondContact O-CE2 3.25Å; S33-F35 PolarHBondContact O-N 2.81Å
34Y71.1Confident81.2Confident64 Ų6466.5 Ų66.525%0.25133%0.332SS..  trans-76108.9170.6-169.7-121.6000108.5R27 K30 G31 S32 L36R27-Y34 PolarHBondContact NH1-O 3.45Å; K30-Y34 HydrophobicContact CB-CD2 4.2Å; K30-Y34 HydrophobicContact CB-CG 3.91Å; K30-Y34 HydrophobicContact CD-CD1 4.01Å; K30-Y34 HydrophobicContact CD-CD2 3.33Å; K30-Y34 HydrophobicContact CD-CE1 4.07Å; K30-Y34 HydrophobicContact CD-CE2 3.38Å; K30-Y34 HydrophobicContact CD-CG 3.65Å; K30-Y34 HydrophobicContact CG-CD2 4.38Å; K30-Y34 HydrophobicContact CG-CG 4.45Å; K30-Y34 VanDerWaalsContact NZ-CZ 3.32Å; K30-Y34 PolarHBondContact NZ-OH 3.4Å; K30-Y34 VanDerWaalsContact NZ-OH 3.15Å; G31-Y34 WeakPolarHBondContact O-CB 3.34Å; G31-Y34 PolarHBondContact O-N 3.18Å; S32-Y34 PolarHBondContact O-N 2.92Å; Y34-L36 WeakPolarHBondContact CE1-O 3.49Å; Y34-L36 HydrophobicContact CE2-CB 4.02Å; Y34-L36 PolarHBondContact OH-O 3.05Å
35F65.8Low80.5Confident150 Ų15072.2 Ų72.266%0.65836%0.361SS*.  trans-104.3-8178.1-64-74.8000113.2S33 W37S33-F35 WeakPolarHBondContact O-CD2 3.35Å; S33-F35 WeakPolarHBondContact O-CE2 3.25Å; S33-F35 PolarHBondContact O-N 2.81Å; F35-W37 PolarHBondContact O-N 3.01Å; F35-W37 VanDerWaalsContact O-N 3.14Å
36L69.1Low80.2Confident130 Ų13076 Ų7668%0.68138%0.379SS*.  trans-80.4101.2-178.3-61.7177.3000109.5Y34Y34-L36 WeakPolarHBondContact CE1-O 3.49Å; Y34-L36 HydrophobicContact CE2-CB 4.02Å; Y34-L36 PolarHBondContact OH-O 3.05Å
37W77.1Confident80Confident97 Ų9778.1 Ų78.137%0.36739%0.392SS..  trans-96131.9165-172.5-99000108.9A23 F35 D39 A162 R163A23-W37 HydrophobicContact CB-CH2 3.95Å; A23-W37 HydrophobicContact CB-CZ3 3.99Å; F35-W37 PolarHBondContact O-N 3.01Å; F35-W37 VanDerWaalsContact O-N 3.14Å; W37-D39 PolarHBondContact NE1-OD1 3.14Å; W37-A162 HydrophobicContact CH2-CB 3.97Å; W37-A162 HydrophobicContact CZ3-CB 4.02Å; W37-A162 VanDerWaalsContact CZ3-O 3.25Å; W37-A162 WeakPolarHBondContact CZ3-O 3.45Å; W37-R163 HydrophobicContact CD2-CB 4.29Å; W37-R163 HydrophobicContact CD2-CG 4.02Å; W37-R163 HydrophobicContact CE3-CB 4.34Å; W37-R163 HydrophobicContact CE3-CG 4.46Å; W37-R163 HydrophobicContact CG-CG 4.4Å; W37-R163 HydrophobicContact CH2-CB 3.84Å; W37-R163 HydrophobicContact CZ2-CB 3.8Å; W37-R163 HydrophobicContact CZ2-CG 4.15Å; W37-R163 HydrophobicContact CZ3-CB 4.14Å
38D78.4Confident80Confident115 Ų11580.1 Ų80.162%0.61541%0.408SS*.  trans-119.6117.6173.9-172.1-3.4000107.7K40D38-K40 PolarHBondContact O-N 3.32Å; D38-K40 WeakPolarHBondContact OD1-CB 3.45Å; D38-K40 PolarHBondContact OD1-N 2.95Å
39D79.4Confident79.9Confident133 Ų13381.9 Ų81.971%0.71142%0.415SS*.  trans-74.5-11.9178.4-70.1-43.5000112.1W37 Y41W37-D39 PolarHBondContact NE1-OD1 3.14Å; D39-Y41 PolarHBondContact O-N 2.77Å
40K84.9Confident80Confident135 Ų13584.2 Ų84.259%0.58743%0.43SS*.  trans-71.4120.2178.6-170.4-170.8174.5-153.70110.6D38 E42D38-K40 PolarHBondContact O-N 3.32Å; D38-K40 WeakPolarHBondContact OD1-CB 3.45Å; D38-K40 PolarHBondContact OD1-N 2.95Å; K40-E42 IonicContact NZ-OE1 2.7Å; K40-E42 PolarHBondContact NZ-OE1 2.71Å
41Y83.2Confident80Confident85 Ų8582.8 Ų82.833%0.33342%0.423SS..  trans-78.5123.6172.5179.9-115.8000112Q18 D39 P43 S70Q18-Y41 HydrophobicContact CB-CE2 4.47Å; Q18-Y41 HydrophobicContact CG-CD1 3.66Å; Q18-Y41 HydrophobicContact CG-CD2 3.75Å; Q18-Y41 HydrophobicContact CG-CE1 3.51Å; Q18-Y41 HydrophobicContact CG-CE2 3.65Å; Q18-Y41 HydrophobicContact CG-CG 3.76Å; D39-Y41 PolarHBondContact O-N 2.77Å; Y41-P43 HydrophobicContact CD1-CG 4.39Å; Y41-P43 HydrophobicContact CE1-CB 4.36Å; Y41-P43 HydrophobicContact CE1-CG 3.75Å; Y41-S70 PolarHBondContact OH-OG 3.42Å
42E84Confident80.4Confident123 Ų12384.3 Ų84.358%0.57543%0.427SS*.  trans-118.5119.9168-63.3-167161.700109.3K40 T44K40-E42 IonicContact NZ-OE1 2.7Å; K40-E42 PolarHBondContact NZ-OE1 2.71Å; E42-T44 PolarHBondContact O-N 2.66Å
43P83.6Confident80.9Confident61 Ų6182.7 Ų82.740%0.39642%0.415SS..  trans-59.3122.1178.3-24.632.7000112.7Y41 Y71Y41-P43 HydrophobicContact CD1-CG 4.39Å; Y41-P43 HydrophobicContact CE1-CB 4.36Å; Y41-P43 HydrophobicContact CE1-CG 3.75Å; P43-Y71 HydrophobicContact CB-CE2 3.91Å
44T80.1Confident81.6Confident23 Ų2379 Ų7914%0.14139%0.388CS..  trans-70.4142.9172.6-43.10000110.4T22 E42 S68T22-T44 PolarHBondContact OG1-OG1 3.23Å; E42-T44 PolarHBondContact O-N 2.66Å; T44-S68 WeakPolarHBondContact O-CA 3.33Å; T44-S68 WeakPolarHBondContact O-CB 3.26Å; T44-S68 PolarHBondContact O-OG 3.3Å
45I82Confident82Confident120 Ų12076.3 Ų76.362%0.61538%0.378SS*.  trans-88.8-74168.6-62.1175.5000108.4S68I45-S68 VanDerWaalsContact O-CB 3.25Å; I45-S68 WeakPolarHBondContact O-CB 3.5Å; I45-S68 PolarHBondContact O-N 3.07Å
46E84.6Confident82.6Confident80 Ų8071.4 Ų71.437%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-163.4137.4164.7-174.9176.191.900105.4I65 D66 W80E46-I65 HydrophobicContact CG-CG2 4.19Å; E46-D66 VanDerWaalsContact CA-O 3.31Å; E46-D66 WeakPolarHBondContact CA-O 3.42Å; E46-W80 PolarHBondContact OE2-NE1 3.19Å
47D86.3Confident83.1Confident79 Ų7967.1 Ų67.142%0.42236%0.357SS..EExtended strand (participates in β ladder)trans-135.7154.3173.8-154.7-10.2000110F49 D66D47-F49 HydrophobicContact CB-CE2 3.77Å; D47-F49 HydrophobicContact CB-CZ 4.02Å; D47-F49 WeakPolarHBondContact OD2-CZ 3.35Å; D47-D66 PolarHBondContact N-O 2.9Å; D47-D66 PolarHBondContact O-N 3.01Å
48S89.5Confident83.3Confident56 Ų5664.3 Ų64.339%0.39235%0.348SS..EExtended strand (participates in β ladder)trans-135.3134.1-179720000111.3L64S48-L64 WeakPolarHBondContact CA-O 3.22Å
49F89Confident83.6Confident45 Ų4559.9 Ų59.920%0.19732%0.324CS..EExtended strand (participates in β ladder)trans-130.9136.5-176.5-56.5-87.9000109.9V25 I29 D47 R63 L64V25-F49 HydrophobicContact CG1-CD2 3.69Å; V25-F49 HydrophobicContact CG1-CE2 4.03Å; I29-F49 HydrophobicContact CD1-CB 3.25Å; I29-F49 HydrophobicContact CD1-CD1 3.7Å; I29-F49 HydrophobicContact CD1-CD2 3.48Å; I29-F49 VanDerWaalsContact CD1-CD2 3.48Å; I29-F49 HydrophobicContact CD1-CE1 4.38Å; I29-F49 HydrophobicContact CD1-CE2 4.19Å; I29-F49 HydrophobicContact CD1-CG 3.18Å; I29-F49 HydrophobicContact CG1-CB 4Å; I29-F49 HydrophobicContact CG1-CG 4.38Å; D47-F49 HydrophobicContact CB-CE2 3.77Å; D47-F49 HydrophobicContact CB-CZ 4.02Å; D47-F49 WeakPolarHBondContact OD2-CZ 3.35Å; F49-R63 CarbonylContact O-C 3.52Å; F49-R63 WeakPolarHBondContact O-CA 3.27Å; F49-L64 PolarHBondContact N-O 3.08Å; F49-L64 PolarHBondContact O-N 3.45Å
50V87.7Confident84Confident72 Ų7253.7 Ų53.744%0.43629%0.291SS..EExtended strand (participates in β ladder)trans-99.6127.2173.3-179.60000108.9R61 L62 R63V50-R61 HydrophobicContact CG1-CG 3.46Å; V50-R61 VanDerWaalsContact CG1-CG 3.46Å; V50-L62 CarbonylContact C-O 3.56Å; V50-L62 WeakPolarHBondContact CA-O 3.22Å; V50-R63 HydrophobicContact CG2-CB 4.34Å; V50-R63 HydrophobicContact CG2-CG 4.42Å
51R85.2Confident84.1Confident31 Ų3148.2 Ų48.212%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-131134.2179.1-167.866177.116010110.2I29 F53 L62 S284I29-R51 PolarHBondContact O-NE 3Å; I29-R51 PolarHBondContact O-NH1 3.2Å; R51-F53 HydrophobicContact CB-CE2 3.66Å; R51-F53 HydrophobicContact CB-CZ 3.69Å; R51-F53 HydrophobicContact CG-CD1 4.45Å; R51-F53 HydrophobicContact CG-CD2 4.38Å; R51-F53 HydrophobicContact CG-CE1 3.65Å; R51-F53 HydrophobicContact CG-CE2 3.58Å; R51-F53 HydrophobicContact CG-CZ 3.17Å; R51-L62 PolarHBondContact N-O 2.98Å; R51-L62 PolarHBondContact O-N 3.3Å; R51-S284 PolarHBondContact NH2-OG 2.74Å
52E86.2Confident84.4Confident45 Ų4544.9 Ų44.921%0.2125%0.254CS..EExtended strand (participates in β ladder)trans-98.3131.7174.4-66.2-178.7179.400110.1L59 C60 R61 P283 S284E52-L59 HydrophobicContact CB-CD1 4.17Å; E52-C60 CarbonylContact C-O 3.43Å; E52-C60 WeakPolarHBondContact CA-O 3.22Å; E52-R61 HydrophobicContact CG-CB 4.07Å; E52-R61 HydrophobicContact CG-CG 3.82Å; E52-R61 IonicContact OE1-CZ 3.28Å; E52-R61 IonicContact OE1-NE 3.13Å; E52-R61 PolarHBondContact OE1-NE 2.95Å; E52-R61 IonicContact OE1-NH2 3.7Å; E52-R61 PolarHBondContact OE1-NH2 3.06Å; E52-P283 HydrophobicContact CB-CB 3.71Å; E52-P283 WeakPolarHBondContact O-CA 3.01Å; E52-S284 PolarHBondContact O-N 3.2Å
53F83.5Confident84.8Confident5 Ų542.9 Ų42.92%0.02224%0.242CC..EExtended strand (participates in β ladder)trans-124159.6173.5-50.7-87000109.4I28 R51 V55 L59 C60 L62 L172 S284 I286I28-F53 HydrophobicContact CG2-CE1 4.08Å; I28-F53 HydrophobicContact CG2-CZ 3.57Å; R51-F53 HydrophobicContact CB-CE2 3.66Å; R51-F53 HydrophobicContact CB-CZ 3.69Å; R51-F53 HydrophobicContact CG-CD1 4.45Å; R51-F53 HydrophobicContact CG-CD2 4.38Å; R51-F53 HydrophobicContact CG-CE1 3.65Å; R51-F53 HydrophobicContact CG-CE2 3.58Å; R51-F53 HydrophobicContact CG-CZ 3.17Å; F53-V55 HydrophobicContact CB-CG2 4.26Å; F53-L59 CarbonylContact O-C 3.59Å; F53-C60 HydrophobicContact CB-CB 4.37Å; F53-C60 PolarHBondContact N-O 2.9Å; F53-C60 PolarHBondContact O-N 2.83Å; F53-L62 HydrophobicContact CD2-CD1 4.06Å; F53-L62 HydrophobicContact CD2-CG 4.29Å; F53-L62 HydrophobicContact CE2-CB 4.35Å; F53-L62 HydrophobicContact CE2-CD1 4.02Å; F53-L62 HydrophobicContact CE2-CG 4.37Å; F53-L172 HydrophobicContact CD1-CD1 3.85Å; F53-L172 HydrophobicContact CE1-CD1 3.49Å; F53-L172 VanDerWaalsContact CE1-CD1 3.49Å; F53-L172 HydrophobicContact CE2-CD2 4.36Å; F53-L172 HydrophobicContact CZ-CD1 3.92Å; F53-L172 HydrophobicContact CZ-CD2 4.18Å; F53-S284 CarbonylContact C-O 3.57Å; F53-S284 WeakPolarHBondContact CA-O 3.31Å; F53-S284 WeakPolarHBondContact CB-O 3.35Å; F53-I286 HydrophobicContact CB-CD1 4.21Å; F53-I286 HydrophobicContact CD1-CD1 4.14Å; F53-I286 HydrophobicContact CG-CD1 4.36Å
54I83.3Confident85.2Confident11 Ų1140 Ų406%0.05622%0.223CC..EExtended strand (participates in β ladder)trans-119.5114.2171.2-66.4168.2000107.7K58 L59 L192 P283 S284 I285 I286I54-K58 CarbonylContact C-O 3.58Å; I54-K58 WeakPolarHBondContact CA-O 3.5Å; I54-L59 HydrophobicContact CG1-CD1 4.04Å; I54-L192 HydrophobicContact CD1-CD2 3.76Å; I54-L192 HydrophobicContact CG1-CD2 3.97Å; I54-L192 HydrophobicContact CG2-CD1 3.83Å; I54-L192 HydrophobicContact CG2-CD2 4.43Å; I54-L192 HydrophobicContact CG2-CG 4.38Å; I54-P283 HydrophobicContact CD1-CB 4.1Å; I54-P283 HydrophobicContact CD1-CG 3.68Å; I54-P283 HydrophobicContact CG1-CB 4.08Å; I54-P283 HydrophobicContact CG1-CG 4.18Å; I54-S284 PolarHBondContact N-O 3.23Å; I54-I285 HydrophobicContact CB-CB 4.13Å; I54-I285 HydrophobicContact CB-CG1 3.56Å; I54-I285 HydrophobicContact CB-CG2 4.4Å; I54-I285 HydrophobicContact CD1-CD1 4.24Å; I54-I285 HydrophobicContact CD1-CG1 3.66Å; I54-I285 HydrophobicContact CG1-CG1 4.12Å; I54-I285 HydrophobicContact CG2-CB 4.5Å; I54-I285 HydrophobicContact CG2-CG1 3.92Å; I54-I285 HydrophobicContact CG2-CG2 4.28Å; I54-I285 CarbonylContact O-C 3.39Å; I54-I285 VanDerWaalsContact O-CA 3.27Å; I54-I285 WeakPolarHBondContact O-CA 3.25Å; I54-I286 PolarHBondContact O-N 3.41Å
55V79.5Confident85.9Confident6 Ų639 Ų394%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-129.6129.9-178.5-161.90000108.6F53 G57 K58 W176 I286F53-V55 HydrophobicContact CB-CG2 4.26Å; V55-G57 PolarHBondContact O-N 3.29Å; V55-G57 VanDerWaalsContact O-N 3.13Å; V55-K58 PolarHBondContact N-O 3.22Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 2.9Å; V55-W176 HydrophobicContact CB-CD2 3.87Å; V55-W176 HydrophobicContact CB-CE3 3.75Å; V55-W176 HydrophobicContact CB-CG 4.39Å; V55-W176 HydrophobicContact CB-CH2 4.3Å; V55-W176 HydrophobicContact CB-CZ2 4.45Å; V55-W176 HydrophobicContact CB-CZ3 3.97Å; V55-W176 HydrophobicContact CG1-CB 4.2Å; V55-W176 HydrophobicContact CG1-CD2 3.46Å; V55-W176 VanDerWaalsContact CG1-CD2 3.46Å; V55-W176 HydrophobicContact CG1-CE3 3.91Å; V55-W176 HydrophobicContact CG1-CG 3.57Å; V55-W176 HydrophobicContact CG1-CZ2 4.3Å; V55-W176 HydrophobicContact CG1-CZ3 4.45Å; V55-W176 HydrophobicContact CG2-CE3 4.4Å; V55-W176 WeakPolarHBondContact O-CH2 3.34Å; V55-I286 HydrophobicContact CB-CB 4.42Å; V55-I286 HydrophobicContact CG1-CB 4.13Å; V55-I286 HydrophobicContact CG1-CG2 4.34Å; V55-I286 HydrophobicContact CG2-CB 3.83Å; V55-I286 HydrophobicContact CG2-CD1 3.8Å; V55-I286 HydrophobicContact CG2-CG1 4.04Å
56G78.9Confident86.3Confident47 Ų4733.4 Ų33.449%0.48519%0.188SC..THydrogen-bonded Turntrans5533.4-178.700000114.3K58G56-K58 VanDerWaalsContact C-N 3.27Å; G56-K58 PolarHBondContact O-N 3.15Å
57G79.6Confident86.6Confident40 Ų4029.9 Ų29.941%0.41217%0.172SC..THydrogen-bonded Turntrans75.17.2-17700000115.4V55 L192V55-G57 PolarHBondContact O-N 3.29Å; V55-G57 VanDerWaalsContact O-N 3.13Å; G57-L192 VanDerWaalsContact O-CG 3.29Å; G57-L192 WeakPolarHBondContact O-CG 3.38Å; G57-L192 PolarHBondContact O-N 2.75Å
58K81.1Confident86.6Confident39 Ų3926.9 Ų26.917%0.1716%0.157CC..EExtended strand (participates in β ladder)trans-104.8141.8175.5-57.6-166.3-171168.60111.7I54 V55 G56 C60 W176 F189 D190 L191I54-K58 CarbonylContact C-O 3.58Å; I54-K58 WeakPolarHBondContact CA-O 3.5Å; V55-K58 PolarHBondContact N-O 3.22Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 2.9Å; G56-K58 VanDerWaalsContact C-N 3.27Å; G56-K58 PolarHBondContact O-N 3.15Å; K58-C60 PolarHBondContact O-N 2.85Å; K58-W176 HydrophobicContact CB-CH2 4.27Å; K58-W176 HydrophobicContact CD-CH2 3.94Å; K58-W176 HydrophobicContact CG-CH2 4.22Å; K58-F189 HydrophobicContact CB-CB 3.93Å; K58-F189 HydrophobicContact CD-CB 4Å; K58-D190 CarbonylContact C-O 3.58Å; K58-D190 VanDerWaalsContact CA-O 3.22Å; K58-D190 WeakPolarHBondContact CA-O 3.45Å; K58-D190 WeakPolarHBondContact CB-O 3.38Å; K58-L191 HydrophobicContact CG-CD2 4.37Å
59L84.9Confident86.2Confident22 Ų2225.2 Ų25.212%0.11515%0.149CC..EExtended strand (participates in β ladder)trans-82.2106.7171.6-176.965.9000109.6H8 E52 F53 I54 D190 L192 P283H8-L59 PolarHBondContact CE1-O 2.95Å; H8-L59 VanDerWaalsContact CE1-O 3.28Å; E52-L59 HydrophobicContact CB-CD1 4.17Å; F53-L59 CarbonylContact O-C 3.59Å; I54-L59 HydrophobicContact CG1-CD1 4.04Å; L59-D190 HydrophobicContact CB-CB 4.47Å; L59-D190 PolarHBondContact N-O 3.26Å; L59-L192 HydrophobicContact CB-CD2 4.3Å; L59-P283 HydrophobicContact CD1-CB 4.02Å; L59-P283 HydrophobicContact CD1-CG 4.29Å
60C86Confident85.6Confident3 Ų325.4 Ų25.42%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-97.9101.8179.6-550000109.7E52 F53 K58 F189E52-C60 CarbonylContact C-O 3.43Å; E52-C60 WeakPolarHBondContact CA-O 3.22Å; F53-C60 HydrophobicContact CB-CB 4.37Å; F53-C60 PolarHBondContact N-O 2.9Å; F53-C60 PolarHBondContact O-N 2.83Å; K58-C60 PolarHBondContact O-N 2.85Å; C60-F189 HydrophobicContact CB-CD1 3.82Å; C60-F189 HydrophobicContact CB-CE1 3.87Å; C60-F189 HydrophobicContact CB-CG 4.17Å; C60-F189 HydrophobicContact CB-CZ 4.28Å; C60-F189 VanDerWaalsContact SG-CG 3.56Å
61R88.4Confident85.2Confident19 Ų1928.1 Ų28.17%0.07216%0.159CC..EExtended strand (participates in β ladder)trans-93.2109.5171.1-168.7-179.8-61.6130.8-8.9110.3Q4 E5 Q6 P7 H8 V50 E52Q4-R61 VanDerWaalsContact O-CZ 3.28Å; Q4-R61 PolarHBondContact O-NH1 3.01Å; Q4-R61 PolarHBondContact O-NH2 3.39Å; E5-R61 WeakPolarHBondContact O-CD 3.4Å; E5-R61 PolarHBondContact O-NH1 3.36Å; Q6-R61 PolarHBondContact O-NH1 3.3Å; P7-R61 CarbonylContact C-O 3.58Å; P7-R61 HydrophobicContact CB-CG 4.48Å; H8-R61 PolarHBondContact N-O 3.07Å; H8-R61 WeakPolarHBondContact ND1-CB 3.38Å; H8-R61 PolarHBondContact ND1-N 2.98Å; H8-R61 VanDerWaalsContact ND1-N 3.13Å; H8-R61 PolarHBondContact ND1-O 3.38Å; V50-R61 HydrophobicContact CG1-CG 3.46Å; V50-R61 VanDerWaalsContact CG1-CG 3.46Å; E52-R61 HydrophobicContact CG-CB 4.07Å; E52-R61 HydrophobicContact CG-CG 3.82Å; E52-R61 IonicContact OE1-CZ 3.28Å; E52-R61 IonicContact OE1-NE 3.13Å; E52-R61 PolarHBondContact OE1-NE 2.95Å; E52-R61 IonicContact OE1-NH2 3.7Å; E52-R61 PolarHBondContact OE1-NH2 3.06Å
62L90.1Very high84.7Confident15 Ų1531.2 Ų31.28%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-108141-179.4-56.9179.7000110.3A9 V11 V50 R51 F53 L64 L172 F189A9-L62 HydrophobicContact CB-CD2 3.9Å; V11-L62 HydrophobicContact CG2-CB 4.47Å; V11-L62 HydrophobicContact CG2-CD1 4.2Å; V11-L62 HydrophobicContact CG2-CD2 4.4Å; V50-L62 CarbonylContact C-O 3.56Å; V50-L62 WeakPolarHBondContact CA-O 3.22Å; R51-L62 PolarHBondContact N-O 2.98Å; R51-L62 PolarHBondContact O-N 3.3Å; F53-L62 HydrophobicContact CD2-CD1 4.06Å; F53-L62 HydrophobicContact CD2-CG 4.29Å; F53-L62 HydrophobicContact CE2-CB 4.35Å; F53-L62 HydrophobicContact CE2-CD1 4.02Å; F53-L62 HydrophobicContact CE2-CG 4.37Å; L62-L64 HydrophobicContact CB-CD2 4.11Å; L62-L172 HydrophobicContact CD1-CD2 4.49Å; L62-F189 HydrophobicContact CD2-CE1 3.81Å; L62-F189 HydrophobicContact CD2-CZ 4.07Å
63R92.4Very high84.7Confident82 Ų8234.1 Ų34.131%0.30919%0.194SC..EExtended strand (participates in β ladder)trans-95.3116.2162.3-179.4177.4-64.6-153.11.4108.4P7 A9 E10 V11 F49 V50 I65P7-R63 HydrophobicContact CB-CB 3.85Å; P7-R63 HydrophobicContact CG-CB 3.97Å; A9-R63 PolarHBondContact O-N 3.35Å; E10-R63 CarbonylContact C-O 3.55Å; E10-R63 WeakPolarHBondContact CA-O 3.27Å; E10-R63 HydrophobicContact CG-CB 4.26Å; V11-R63 PolarHBondContact N-O 3.46Å; F49-R63 CarbonylContact O-C 3.52Å; F49-R63 WeakPolarHBondContact O-CA 3.27Å; V50-R63 HydrophobicContact CG2-CB 4.34Å; V50-R63 HydrophobicContact CG2-CG 4.42Å; R63-I65 HydrophobicContact CG-CD1 3.66Å; R63-I65 HydrophobicContact CG-CG1 4.49Å
64L91.9Very high84.8Confident1 Ų138.5 Ų38.51%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-90.9119.7174.5-48.2-178.2000107.9V11 F13 V25 I28 I29 S48 F49 L62V11-L64 HydrophobicContact CB-CD2 4.01Å; V11-L64 HydrophobicContact CG2-CD2 4.38Å; V11-L64 WeakPolarHBondContact O-CA 3.38Å; F13-L64 HydrophobicContact CE2-CB 4.27Å; F13-L64 HydrophobicContact CE2-CD2 4.26Å; V25-L64 HydrophobicContact CG1-CB 4.28Å; V25-L64 HydrophobicContact CG1-CD1 4.46Å; I28-L64 HydrophobicContact CB-CD1 4.28Å; I28-L64 HydrophobicContact CG2-CD1 3.59Å; I29-L64 HydrophobicContact CG1-CD1 4.03Å; S48-L64 WeakPolarHBondContact CA-O 3.22Å; F49-L64 PolarHBondContact N-O 3.08Å; F49-L64 PolarHBondContact O-N 3.45Å; L62-L64 HydrophobicContact CB-CD2 4.11Å
65I93.5Very high85Confident2 Ų241.9 Ų41.91%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-100.1113.6175.9-52-61.5000108.1V11 V12 F13 E46 R63 T67 W80V11-I65 PolarHBondContact O-N 3.2Å; V12-I65 HydrophobicContact CB-CB 4.39Å; V12-I65 HydrophobicContact CG1-CB 4.3Å; V12-I65 HydrophobicContact CG1-CG2 4.34Å; V12-I65 HydrophobicContact CG2-CB 4Å; V12-I65 HydrophobicContact CG2-CG1 4.05Å; F13-I65 PolarHBondContact N-O 3.13Å; E46-I65 HydrophobicContact CG-CG2 4.19Å; R63-I65 HydrophobicContact CG-CD1 3.66Å; R63-I65 HydrophobicContact CG-CG1 4.49Å; I65-T67 HydrophobicContact CG2-CG2 4.1Å; I65-W80 HydrophobicContact CD1-CH2 3.94Å; I65-W80 HydrophobicContact CD1-CZ2 4.36Å; I65-W80 HydrophobicContact CD1-CZ3 4.41Å; I65-W80 HydrophobicContact CG1-CH2 4.06Å; I65-W80 HydrophobicContact CG1-CZ2 4.38Å; I65-W80 HydrophobicContact CG1-CZ3 4.16Å; I65-W80 HydrophobicContact CG2-CD2 4.42Å; I65-W80 HydrophobicContact CG2-CH2 4.33Å; I65-W80 HydrophobicContact CG2-CZ2 3.8Å
66D91.8Very high85.5Confident1 Ų144.7 Ų44.71%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-93.3110.4173.7-175.425.7000109.4T22 V25 E46 D47T22-D66 VanDerWaalsContact CA-OD2 3.22Å; T22-D66 WeakPolarHBondContact CA-OD2 3.39Å; T22-D66 WeakPolarHBondContact CB-OD2 3.31Å; T22-D66 VanDerWaalsContact CG2-OD2 3.3Å; T22-D66 WeakPolarHBondContact CG2-OD2 3.44Å; T22-D66 PolarHBondContact N-OD1 3.49Å; T22-D66 PolarHBondContact OG1-OD1 3.17Å; T22-D66 PolarHBondContact OG1-OD2 2.9Å; V25-D66 HydrophobicContact CG1-CB 4.36Å; V25-D66 HydrophobicContact CG2-CB 4.18Å; E46-D66 VanDerWaalsContact CA-O 3.31Å; E46-D66 WeakPolarHBondContact CA-O 3.42Å; D47-D66 PolarHBondContact N-O 2.9Å; D47-D66 PolarHBondContact O-N 3.01Å
67T90.3Very high85.9Confident7 Ų743.5 Ų43.54%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-93.4154.4-176.8670000111.8V12 F13 K21 I65 G69V12-T67 HydrophobicContact CG1-CG2 3.62Å; F13-T67 WeakPolarHBondContact O-CB 3.09Å; F13-T67 WeakPolarHBondContact O-CG2 3.46Å; F13-T67 PolarHBondContact O-OG1 3.37Å; K21-T67 WeakPolarHBondContact CE-O 3Å; I65-T67 HydrophobicContact CG2-CG2 4.1Å; T67-G69 PolarHBondContact O-N 2.93Å
68S86.7Confident86.5Confident15 Ų1548.2 Ų48.211%0.10525%0.254CS..  trans-62.6138.5168.5-163.60000111.3T44 I45 S70 Y71T44-S68 WeakPolarHBondContact O-CA 3.33Å; T44-S68 WeakPolarHBondContact O-CB 3.26Å; T44-S68 PolarHBondContact O-OG 3.3Å; I45-S68 VanDerWaalsContact O-CB 3.25Å; I45-S68 WeakPolarHBondContact O-CB 3.5Å; I45-S68 PolarHBondContact O-N 3.07Å; S68-S70 PolarHBondContact OG-N 2.92Å; S68-S70 VanDerWaalsContact OG-N 3.09Å; S68-Y71 WeakPolarHBondContact CB-O 3.48Å; S68-Y71 PolarHBondContact OG-N 2.88Å
69G80Confident87Confident21 Ų2148.2 Ų48.222%0.21626%0.256CS..SBendtrans-94.3-15.1161.200000113.9A17 T67A17-G69 PolarHBondContact N-O 2.83Å; T67-G69 PolarHBondContact O-N 2.93Å
70S76.9Confident87.4Confident50 Ų5048.2 Ų48.235%0.3525%0.254SS..SBendtrans-97.5-31.8-172.8-56.90000112.4A17 Y41 S68A17-S70 WeakPolarHBondContact CB-OG 3.24Å; Y41-S70 PolarHBondContact OH-OG 3.42Å; S68-S70 PolarHBondContact OG-N 2.92Å; S68-S70 VanDerWaalsContact OG-N 3.09Å
71Y79.5Confident87.7Confident129 Ų12948.6 Ų48.651%0.50626%0.256SS..SBendtrans-116.4116179.9-55.5-65.8000109.1P43 S68P43-Y71 HydrophobicContact CB-CE2 3.91Å; S68-Y71 WeakPolarHBondContact CB-O 3.48Å; S68-Y71 PolarHBondContact OG-N 2.88Å
72T74.9Confident87.9Confident96 Ų9653.6 Ų53.659%0.58927%0.274SS*.  trans-87.5122.8173.956.30000109.3P74T72-P74 WeakPolarHBondContact O-CD 3.14Å
73F84.6Confident88Confident105 Ų10560.8 Ų60.846%0.46130%0.3SS..  trans-11091.9169.4-64.4-85.9000108.2A75 M76 N77F73-A75 PolarHBondContact O-N 2.84Å; F73-A75 VanDerWaalsContact O-N 3.12Å; F73-M76 HydrophobicContact CB-CB 4.07Å; F73-M76 HydrophobicContact CB-CG 4.22Å; F73-M76 PolarHBondContact O-N 2.91Å; F73-N77 PolarHBondContact O-N 3.19Å
74P86Confident88Confident97 Ų9757 Ų5763%0.6329%0.287SS*.Hα-helixtrans-55.7-37.2-169.5-28.635.7000114.1T72 M76 N77 R78T72-P74 WeakPolarHBondContact O-CD 3.14Å; P74-M76 PolarHBondContact O-N 3.47Å; P74-N77 PolarHBondContact O-N 3.31Å; P74-R78 WeakPolarHBondContact O-CB 3.38Å; P74-R78 PolarHBondContact O-N 3.07Å
75A88.6Confident88.1Confident83 Ų8359 Ų5969%0.68630%0.301SS*.Hα-helixtrans-63.2-40.7177.200000112.7F73 L79F73-A75 PolarHBondContact O-N 2.84Å; F73-A75 VanDerWaalsContact O-N 3.12Å; A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 PolarHBondContact O-N 2.89Å
76M88.9Confident88.2Confident64 Ų6459 Ų5932%0.31530%0.301SS..Hα-helixtrans-73-42177.2-68.9-56.4-62.100111.3F73 P74 R78 L79 W80F73-M76 HydrophobicContact CB-CB 4.07Å; F73-M76 HydrophobicContact CB-CG 4.22Å; F73-M76 PolarHBondContact O-N 2.91Å; P74-M76 PolarHBondContact O-N 3.47Å; M76-R78 VanDerWaalsContact C-N 3.31Å; M76-R78 PolarHBondContact O-N 3.16Å; M76-L79 HydrophobicContact CE-CD2 4Å; M76-L79 WeakPolarHBondContact O-CB 3.08Å; M76-L79 PolarHBondContact O-N 3.09Å; M76-L79 VanDerWaalsContact O-N 3.14Å; M76-L79 HydrophobicContact SD-CD2 4.16Å; M76-W80 HydrophobicContact CE-CZ2 3.8Å; M76-W80 PolarHBondContact O-N 3.42Å
77N87.8Confident88.5Confident22 Ų2258.9 Ų58.912%0.11830%0.301CS..Hα-helixtrans-56.8-48174.4-73.4-2.8000110.9F73 P74 L79 W80 Q81F73-N77 PolarHBondContact O-N 3.19Å; P74-N77 PolarHBondContact O-N 3.31Å; N77-L79 VanDerWaalsContact C-N 3.32Å; N77-L79 PolarHBondContact O-N 3.26Å; N77-W80 PolarHBondContact O-N 2.88Å; N77-Q81 WeakPolarHBondContact O-CB 3.42Å; N77-Q81 WeakPolarHBondContact O-CG 3.45Å; N77-Q81 PolarHBondContact O-N 3.31Å
78R91.6Very high88.8Confident139 Ų13958.6 Ų58.653%0.52530%0.299SS..Hα-helixtrans-62-39.7177.2-168.1178.2-177-155.7-2.6112.4P74 M76 R82 E112P74-R78 WeakPolarHBondContact O-CB 3.38Å; P74-R78 PolarHBondContact O-N 3.07Å; M76-R78 VanDerWaalsContact C-N 3.31Å; M76-R78 PolarHBondContact O-N 3.16Å; R78-R82 WeakPolarHBondContact O-CB 3.46Å; R78-R82 PolarHBondContact O-N 2.83Å; R78-E112 VanDerWaalsContact CG-CD 3.46Å; R78-E112 HydrophobicContact CG-CG 4.2Å; R78-E112 WeakPolarHBondContact CG-OE1 3.43Å; R78-E112 WeakPolarHBondContact CG-OE2 3.45Å; R78-E112 IonicContact CZ-OE1 2.73Å; R78-E112 IonicContact CZ-OE2 2.64Å; R78-E112 VanDerWaalsContact NE-CD 3.28Å; R78-E112 IonicContact NE-OE1 3.73Å; R78-E112 PolarHBondContact NE-OE1 3.26Å; R78-E112 VanDerWaalsContact NE-OE1 3.15Å; R78-E112 IonicContact NE-OE2 2.76Å; R78-E112 PolarHBondContact NE-OE2 3.44Å; R78-E112 IonicContact NH2-OE1 3.19Å; R78-E112 IonicContact NH2-OE2 2.76Å; R78-E112 PolarHBondContact NH2-OE2 2.81Å
79L92.1Very high89.3Confident40 Ų4057.9 Ų57.921%0.20929%0.294CS..Hα-helixtrans-58.8-49.2174.217966.9000111.3A75 M76 N77 R82 R83A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 PolarHBondContact O-N 2.89Å; M76-L79 HydrophobicContact CE-CD2 4Å; M76-L79 WeakPolarHBondContact O-CB 3.08Å; M76-L79 PolarHBondContact O-N 3.09Å; M76-L79 VanDerWaalsContact O-N 3.14Å; M76-L79 HydrophobicContact SD-CD2 4.16Å; N77-L79 VanDerWaalsContact C-N 3.32Å; N77-L79 PolarHBondContact O-N 3.26Å; L79-R82 PolarHBondContact O-N 3.15Å; L79-R83 HydrophobicContact CD1-CG 4.16Å; L79-R83 WeakPolarHBondContact O-CB 3.36Å; L79-R83 PolarHBondContact O-N 2.81Å
80W93.2Very high90.2Very high21 Ų2156.9 Ų56.98%0.0828%0.283CS..Hα-helixtrans-65.8-45.5179.1-65.2135000112.3V12 E46 I65 M76 N77 R82 R83 A84V12-W80 HydrophobicContact CG1-CB 4.1Å; V12-W80 HydrophobicContact CG1-CG 4.1Å; V12-W80 HydrophobicContact CG2-CB 4.14Å; V12-W80 HydrophobicContact CG2-CD2 4.08Å; V12-W80 HydrophobicContact CG2-CE3 3.9Å; V12-W80 HydrophobicContact CG2-CG 4.18Å; E46-W80 PolarHBondContact OE2-NE1 3.19Å; I65-W80 HydrophobicContact CD1-CH2 3.94Å; I65-W80 HydrophobicContact CD1-CZ2 4.36Å; I65-W80 HydrophobicContact CD1-CZ3 4.41Å; I65-W80 HydrophobicContact CG1-CH2 4.06Å; I65-W80 HydrophobicContact CG1-CZ2 4.38Å; I65-W80 HydrophobicContact CG1-CZ3 4.16Å; I65-W80 HydrophobicContact CG2-CD2 4.42Å; I65-W80 HydrophobicContact CG2-CH2 4.33Å; I65-W80 HydrophobicContact CG2-CZ2 3.8Å; M76-W80 HydrophobicContact CE-CZ2 3.8Å; M76-W80 PolarHBondContact O-N 3.42Å; N77-W80 PolarHBondContact O-N 2.88Å; W80-R82 PolarHBondContact O-N 3.4Å; W80-R83 PolarHBondContact O-N 3.28Å; W80-A84 WeakPolarHBondContact O-CB 3.27Å; W80-A84 PolarHBondContact O-N 3.01Å
81Q92.9Very high91.2Very high12 Ų1254.5 Ų54.56%0.05627%0.267CS..Hα-helixtrans-53.4-40.2174.1-72.1162.1-6.100110.8M14 N77 E108 I109 E112 R113M14-Q81 HydrophobicContact CE-CG 4.47Å; N77-Q81 WeakPolarHBondContact O-CB 3.42Å; N77-Q81 WeakPolarHBondContact O-CG 3.45Å; N77-Q81 PolarHBondContact O-N 3.31Å; Q81-E108 PolarHBondContact NE2-OE2 2.91Å; Q81-I109 HydrophobicContact CB-CG1 4.34Å; Q81-I109 HydrophobicContact CG-CG1 3.77Å; Q81-E112 HydrophobicContact CB-CB 4.12Å; Q81-E112 HydrophobicContact CB-CG 4.12Å; Q81-R113 PolarHBondContact O-NE 2.91Å; Q81-R113 PolarHBondContact O-NH2 2.89Å; Q81-R113 VanDerWaalsContact O-NH2 3.12Å
82R92.4Very high92.1Very high124 Ų12448.3 Ų48.347%0.46824%0.243SC..Hα-helixtrans-78.1-39.9177.4-170.4170.660.8-147.41.9114.6R78 L79 W80 E112R78-R82 WeakPolarHBondContact O-CB 3.46Å; R78-R82 PolarHBondContact O-N 2.83Å; L79-R82 PolarHBondContact O-N 3.15Å; W80-R82 PolarHBondContact O-N 3.4Å; R82-E112 HydrophobicContact CB-CG 3.86Å; R82-E112 IonicContact NH1-OE1 3.85Å
83R91Very high93.3Very high165 Ų16543.8 Ų43.862%0.62322%0.215SC*.Hα-helixtrans-105.6-21.9-165.7-70.6-166.5172.3161.6-3.1116.4L79 W80L79-R83 HydrophobicContact CD1-CG 4.16Å; L79-R83 WeakPolarHBondContact O-CB 3.36Å; L79-R83 PolarHBondContact O-N 2.81Å; W80-R83 PolarHBondContact O-N 3.28Å
84A94Very high93.9Very high3 Ų341.9 Ų41.93%0.02521%0.209CC..  trans-56.9141.3-175.200000111.9V12 W80 F87 R113V12-A84 HydrophobicContact CB-CB 4.23Å; V12-A84 HydrophobicContact CG2-CB 3.52Å; W80-A84 WeakPolarHBondContact O-CB 3.27Å; W80-A84 PolarHBondContact O-N 3.01Å; A84-F87 HydrophobicContact CB-CD1 4.16Å; A84-F87 HydrophobicContact CB-CE1 3.57Å; A84-F87 HydrophobicContact CB-CE2 4.48Å; A84-F87 HydrophobicContact CB-CZ 3.77Å; A84-R113 PolarHBondContact O-NH2 3.31Å
85S93.8Very high94.4Very high42 Ų4238.9 Ų38.929%0.29419%0.188SC..SBendtrans-75.6-34.6173.6-47.20000111A9 E10A9-S85 WeakPolarHBondContact CA-OG 3.36Å; A9-S85 WeakPolarHBondContact CB-OG 3.29Å; E10-S85 PolarHBondContact N-OG 3.13Å; E10-S85 VanDerWaalsContact N-OG 3.16Å; E10-S85 WeakPolarHBondContact O-CB 3.46Å; E10-S85 PolarHBondContact O-N 3.28Å
86A95.6Very high94.8Very high2 Ų237.7 Ų37.72%0.01717%0.173CC..EExtended strand (participates in β ladder)trans-148.8158.1176.700000112.1E10 V11 V12 I121 L175E10-A86 PolarHBondContact O-N 3.33Å; V11-A86 WeakPolarHBondContact CA-O 3.46Å; V11-A86 HydrophobicContact CG2-CB 4.34Å; V12-A86 PolarHBondContact N-O 3.39Å; A86-I121 CarbonylContact C-O 3.57Å; A86-I121 VanDerWaalsContact CA-O 3.27Å; A86-I121 WeakPolarHBondContact CA-O 3.45Å; A86-I121 HydrophobicContact CB-CB 3.77Å; A86-I121 HydrophobicContact CB-CG2 3.69Å; A86-L175 HydrophobicContact CB-CD2 3.68Å
87F96.8Very high95.2Very high0 Ų037.3 Ų37.30%018%0.177CC..EExtended strand (participates in β ladder)trans-117.5138.6176.1-58.9-78.2000111.7V12 M14 A84 L89 I109 I121 T122 V123V12-F87 HydrophobicContact CB-CD1 4.33Å; V12-F87 WeakPolarHBondContact O-CA 3.25Å; M14-F87 HydrophobicContact SD-CD1 3.91Å; M14-F87 HydrophobicContact SD-CE1 4.13Å; A84-F87 HydrophobicContact CB-CD1 4.16Å; A84-F87 HydrophobicContact CB-CE1 3.57Å; A84-F87 HydrophobicContact CB-CE2 4.48Å; A84-F87 HydrophobicContact CB-CZ 3.77Å; F87-L89 HydrophobicContact CB-CD2 4.07Å; F87-L89 HydrophobicContact CB-CG 4.37Å; F87-I109 HydrophobicContact CD1-CD1 3.99Å; F87-I109 HydrophobicContact CD2-CD1 3.97Å; F87-I109 HydrophobicContact CD2-CG2 4.41Å; F87-I109 HydrophobicContact CE1-CD1 4.07Å; F87-I109 HydrophobicContact CE1-CG1 4.33Å; F87-I109 HydrophobicContact CE2-CD1 4.03Å; F87-I109 HydrophobicContact CE2-CG1 4.34Å; F87-I109 HydrophobicContact CE2-CG2 3.68Å; F87-I109 HydrophobicContact CG-CD1 3.94Å; F87-I109 HydrophobicContact CZ-CD1 4.08Å; F87-I109 HydrophobicContact CZ-CG1 4.12Å; F87-I109 HydrophobicContact CZ-CG2 3.99Å; F87-I121 PolarHBondContact N-O 2.96Å; F87-T122 HydrophobicContact CB-CG2 4.39Å; F87-T122 WeakPolarHBondContact O-CA 3.3Å; F87-V123 PolarHBondContact O-N 2.73Å
88V97.9Very high95.7Very high0 Ų036.3 Ų36.30%017%0.171CC..EExtended strand (participates in β ladder)trans-115.1109.7166.1-178.90000107.6V11 V12 F13 M14 V90 V123 V125 I171 L175V11-V88 HydrophobicContact CG1-CG2 3.69Å; V12-V88 PolarHBondContact O-N 2.79Å; F13-V88 CarbonylContact C-O 3.55Å; F13-V88 WeakPolarHBondContact CA-O 3.47Å; F13-V88 HydrophobicContact CD1-CB 3.82Å; F13-V88 HydrophobicContact CD1-CG1 3.7Å; F13-V88 HydrophobicContact CD2-CB 4.39Å; F13-V88 HydrophobicContact CE1-CB 3.87Å; F13-V88 HydrophobicContact CE1-CG1 3.57Å; F13-V88 HydrophobicContact CE1-CG2 4.18Å; F13-V88 HydrophobicContact CE2-CB 4.4Å; F13-V88 HydrophobicContact CE2-CG2 4.23Å; F13-V88 HydrophobicContact CG-CB 4.1Å; F13-V88 HydrophobicContact CG-CG1 4.46Å; F13-V88 HydrophobicContact CZ-CB 4.15Å; F13-V88 HydrophobicContact CZ-CG1 4.23Å; F13-V88 HydrophobicContact CZ-CG2 3.99Å; M14-V88 PolarHBondContact N-O 3.36Å; V88-V90 HydrophobicContact CG1-CG2 4.09Å; V88-V123 CarbonylContact C-O 3.44Å; V88-V123 WeakPolarHBondContact CA-O 3.36Å; V88-V125 HydrophobicContact CG1-CB 4.44Å; V88-V125 HydrophobicContact CG1-CG2 3.51Å; V88-I171 HydrophobicContact CG1-CG2 4.42Å; V88-I171 HydrophobicContact CG2-CG2 4.22Å; V88-L175 HydrophobicContact CG2-CD1 4.23Å; V88-L175 HydrophobicContact CG2-CD2 4.48Å
89L97.8Very high95.9Very high0 Ų030.3 Ų30.30%015%0.15CC..EExtended strand (participates in β ladder)trans-100.8109.9-174.2-59.4-169.8000109.5M14 F87 I102 I105 L106 I109 T122 V123 I124 V125M14-L89 HydrophobicContact CB-CD2 3.87Å; M14-L89 CarbonylContact O-C 3.56Å; M14-L89 WeakPolarHBondContact O-CA 3.4Å; F87-L89 HydrophobicContact CB-CD2 4.07Å; F87-L89 HydrophobicContact CB-CG 4.37Å; L89-I102 HydrophobicContact CB-CD1 3.91Å; L89-I102 HydrophobicContact CB-CG2 4.18Å; L89-I102 HydrophobicContact CD1-CG2 4.03Å; L89-I105 HydrophobicContact CD2-CG2 3.82Å; L89-L106 HydrophobicContact CD1-CD1 3.98Å; L89-L106 HydrophobicContact CD1-CD2 3.4Å; L89-L106 VanDerWaalsContact CD1-CD2 3.4Å; L89-L106 HydrophobicContact CD1-CG 3.5Å; L89-L106 VanDerWaalsContact CD1-CG 3.5Å; L89-I109 HydrophobicContact CD2-CD1 4.48Å; L89-T122 HydrophobicContact CD1-CG2 3.76Å; L89-T122 HydrophobicContact CG-CG2 4.03Å; L89-V123 PolarHBondContact N-O 2.73Å; L89-I124 HydrophobicContact CB-CG1 4.47Å; L89-I124 CarbonylContact O-C 3.6Å; L89-I124 WeakPolarHBondContact O-CA 3.37Å; L89-V125 PolarHBondContact O-N 3.15Å
90V98.4Very high96.1Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-104.9121.5-168.8-169.10000111F13 M14 V19 K21 L24 V88 V125 N127F13-V90 HydrophobicContact CD1-CG2 4.24Å; M14-V90 PolarHBondContact O-N 2.92Å; V19-V90 HydrophobicContact CB-CG1 4.13Å; V19-V90 HydrophobicContact CG2-CB 3.86Å; V19-V90 HydrophobicContact CG2-CG1 3.72Å; K21-V90 HydrophobicContact CG-CB 4.1Å; K21-V90 HydrophobicContact CG-CG2 4.08Å; L24-V90 HydrophobicContact CD1-CB 4.4Å; L24-V90 HydrophobicContact CD1-CG1 3.62Å; L24-V90 HydrophobicContact CD1-CG2 3.8Å; V88-V90 HydrophobicContact CG1-CG2 4.09Å; V90-V125 WeakPolarHBondContact CA-O 3.42Å; V90-V125 HydrophobicContact CG2-CB 4.35Å; V90-N127 HydrophobicContact CG1-CB 3.91Å
91C98.2Very high96.2Very high0 Ų034.3 Ų34.30%017%0.168CC..EExtended strand (participates in β ladder)trans-111.2172.6162.365.50000109.7S98 L99 I102 V125 N127C91-S98 WeakPolarHBondContact CA-OG 3.13Å; C91-S98 VanDerWaalsContact CB-OG 3.3Å; C91-S98 WeakPolarHBondContact CB-OG 3.05Å; C91-L99 HydrophobicContact CB-CD1 4.44Å; C91-I102 HydrophobicContact CB-CG1 4.15Å; C91-V125 PolarHBondContact N-O 2.76Å; C91-N127 WeakPolarHBondContact O-CB 3.43Å; C91-N127 PolarHBondContact O-N 3.3Å
92A98.4Very high96.3Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-133.3145.2179.900000112.3V19 D94 N95 S98 N127 K128 V138V19-A92 HydrophobicContact CB-CB 4.07Å; V19-A92 HydrophobicContact CG1-CB 4.28Å; A92-D94 VanDerWaalsContact CB-OD1 3.3Å; A92-D94 WeakPolarHBondContact CB-OD1 3.36Å; A92-D94 PolarHBondContact O-N 3.04Å; A92-D94 VanDerWaalsContact O-N 3.14Å; A92-N95 HydrophobicContact CB-CB 4.4Å; A92-N95 PolarHBondContact O-N 2.69Å; A92-S98 PolarHBondContact N-OG 3.45Å; A92-N127 WeakPolarHBondContact CA-O 3.19Å; A92-K128 HydrophobicContact CB-CD 3.91Å; A92-K128 HydrophobicContact CB-CG 4.1Å; A92-V138 WeakPolarHBondContact O-CG2 3.46Å
93R98.4Very high96.4Very high1 Ų132 Ų320%0.00416%0.162CC..THydrogen-bonded Turntrans-55.1-29.9179.6-71.6-62-168-173.5-0.8114.2V126 N127 I131 W136 L137 V138 D140R93-V126 HydrophobicContact CG-CG1 4.23Å; R93-N127 PolarHBondContact N-O 3.05Å; R93-I131 HydrophobicContact CB-CD1 4.46Å; R93-W136 HydrophobicContact CB-CG 4.19Å; R93-W136 HydrophobicContact CG-CD2 4.24Å; R93-W136 HydrophobicContact CG-CG 4.16Å; R93-W136 VanDerWaalsContact NH2-CH2 3.31Å; R93-L137 PolarHBondContact O-N 3.14Å; R93-V138 VanDerWaalsContact CD-O 3.31Å; R93-V138 WeakPolarHBondContact CD-O 3.17Å; R93-V138 PolarHBondContact NH1-O 2.83Å; R93-V138 PolarHBondContact O-N 2.81Å; R93-D140 IonicContact CZ-OD1 2.73Å; R93-D140 IonicContact NH1-OD1 3.53Å; R93-D140 PolarHBondContact NH1-OD1 2.8Å; R93-D140 IonicContact NH2-OD1 3.15Å; R93-D140 PolarHBondContact NH2-OD1 3.2Å; R93-D140 IonicContact NH2-OD2 3.25Å
94D97.9Very high96.6Very high65 Ų6527.3 Ų27.335%0.34815%0.151SC..THydrogen-bonded Turntrans-95.86.1-17962.5-8.1000114.2A92 K128 I131A92-D94 VanDerWaalsContact CB-OD1 3.3Å; A92-D94 WeakPolarHBondContact CB-OD1 3.36Å; A92-D94 PolarHBondContact O-N 3.04Å; A92-D94 VanDerWaalsContact O-N 3.14Å; D94-K128 WeakPolarHBondContact OD1-CD 3.35Å; D94-K128 WeakPolarHBondContact OD1-CE 3.37Å; D94-K128 IonicContact OD1-NZ 3.45Å; D94-K128 PolarHBondContact OD1-NZ 3.06Å; D94-K128 WeakPolarHBondContact OD2-CD 3.33Å; D94-K128 IonicContact OD2-NZ 3.71Å; D94-K128 PolarHBondContact OD2-NZ 3.41Å; D94-I131 HydrophobicContact CB-CD1 3.59Å
95N97.6Very high96.7Very high33 Ų3327.2 Ų27.218%0.17615%0.15CC..BIsolated β-bridgetrans-137.991.4-175.9-174.9-0.5000112.2E16 A92 S97 S98E16-N95 PolarHBondContact OE2-ND2 3.3Å; E16-N95 VanDerWaalsContact OE2-ND2 3.12Å; A92-N95 HydrophobicContact CB-CB 4.4Å; A92-N95 PolarHBondContact O-N 2.69Å; N95-S97 VanDerWaalsContact C-N 3.35Å; N95-S97 PolarHBondContact O-N 2.82Å; N95-S97 PolarHBondContact OD1-N 3.48Å; N95-S97 PolarHBondContact OD1-OG 3.46Å; N95-S98 WeakPolarHBondContact O-CB 3.29Å; N95-S98 PolarHBondContact O-N 3.49Å; N95-S98 VanDerWaalsContact O-N 3.13Å; N95-S98 PolarHBondContact O-OG 2.89Å; N95-S98 PolarHBondContact OD1-N 3.27Å
96P97Very high96.7Very high59 Ų5925.3 Ų25.338%0.38314%0.137SC..Hα-helixtrans-58.2-38.3177.2-27.837.8000114.8S98 L99 L137 V138P96-S98 PolarHBondContact O-N 3.13Å; P96-S98 VanDerWaalsContact O-N 3.15Å; P96-L99 WeakPolarHBondContact O-CB 3.1Å; P96-L99 PolarHBondContact O-N 3.18Å; P96-L137 HydrophobicContact CG-CB 3.47Å; P96-L137 VanDerWaalsContact CG-CB 3.47Å; P96-L137 HydrophobicContact CG-CD1 4.28Å; P96-V138 HydrophobicContact CB-CG2 4.48Å
97S96.8Very high96.6Very high56 Ų5631.6 Ų31.639%0.39216%0.164SC..Hα-helixtrans-63.8-2418062.40000112.2E16 N95 L99 D100 R101E16-S97 PolarHBondContact OE1-OG 3.15Å; E16-S97 PolarHBondContact OE2-OG 3.02Å; N95-S97 VanDerWaalsContact C-N 3.35Å; N95-S97 PolarHBondContact O-N 2.82Å; N95-S97 PolarHBondContact OD1-N 3.48Å; N95-S97 PolarHBondContact OD1-OG 3.46Å; S97-L99 PolarHBondContact O-N 3.46Å; S97-D100 PolarHBondContact O-N 2.89Å; S97-R101 PolarHBondContact O-N 2.89Å
98S97.5Very high96.5Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-65.5-29.4177.473.80000112.6E16 V19 C91 A92 N95 P96 R101 I102E16-S98 VanDerWaalsContact OE2-CA 3.23Å; E16-S98 WeakPolarHBondContact OE2-CA 3.47Å; E16-S98 PolarHBondContact OE2-N 2.87Å; V19-S98 VanDerWaalsContact CG1-CB 3.47Å; C91-S98 WeakPolarHBondContact CA-OG 3.13Å; C91-S98 VanDerWaalsContact CB-OG 3.3Å; C91-S98 WeakPolarHBondContact CB-OG 3.05Å; A92-S98 PolarHBondContact N-OG 3.45Å; N95-S98 WeakPolarHBondContact O-CB 3.29Å; N95-S98 PolarHBondContact O-N 3.49Å; N95-S98 VanDerWaalsContact O-N 3.13Å; N95-S98 PolarHBondContact O-OG 2.89Å; N95-S98 PolarHBondContact OD1-N 3.27Å; P96-S98 PolarHBondContact O-N 3.13Å; P96-S98 VanDerWaalsContact O-N 3.15Å; S98-R101 PolarHBondContact O-N 3.37Å; S98-I102 WeakPolarHBondContact O-CG1 3.47Å; S98-I102 PolarHBondContact O-N 3.39Å; S98-I102 VanDerWaalsContact O-N 3.15Å
99L96.3Very high96.4Very high13 Ų1334.2 Ų34.27%0.06818%0.176CC..Hα-helixtrans-70.5-41.5175.3-166.969000111.3C91 P96 S97 R101 I102 K103 V138 D142 V143 L146C91-L99 HydrophobicContact CB-CD1 4.44Å; P96-L99 WeakPolarHBondContact O-CB 3.1Å; P96-L99 PolarHBondContact O-N 3.18Å; S97-L99 PolarHBondContact O-N 3.46Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.43Å; L99-I102 WeakPolarHBondContact O-CB 3.2Å; L99-I102 PolarHBondContact O-N 2.88Å; L99-I102 VanDerWaalsContact O-N 3.15Å; L99-K103 PolarHBondContact O-N 2.94Å; L99-V138 HydrophobicContact CD1-CG1 4.48Å; L99-V138 HydrophobicContact CD2-CG1 4.19Å; L99-D142 HydrophobicContact CD2-CB 3.75Å; L99-V143 HydrophobicContact CD1-CG2 4.11Å; L99-L146 HydrophobicContact CD1-CD2 3.39Å; L99-L146 HydrophobicContact CG-CD2 3.9Å
100D95.4Very high96.2Very high84 Ų8438.9 Ų38.945%0.44920%0.198SC..Hα-helixtrans-66.7-32.3173.4-70.2-38.1000112.3S97 I102 K103 T104S97-D100 PolarHBondContact O-N 2.89Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 3.05Å; D100-K103 WeakPolarHBondContact O-CB 3.36Å; D100-K103 PolarHBondContact O-N 3.12Å; D100-K103 IonicContact OD1-NZ 2.78Å; D100-K103 PolarHBondContact OD1-NZ 2.73Å; D100-T104 PolarHBondContact O-N 2.87Å; D100-T104 VanDerWaalsContact O-N 3.15Å; D100-T104 PolarHBondContact O-OG1 2.79Å; D100-T104 VanDerWaalsContact O-OG1 3.1Å
101R95.7Very high96Very high61 Ų6143.8 Ų43.823%0.2322%0.224CC..Hα-helixtrans-63.4-37171.9-175.957.7-177.2150.89.1111.6E16 S97 S98 L99 T104 I105 E108E16-R101 HydrophobicContact CB-CB 4.34Å; E16-R101 HydrophobicContact CB-CG 4.29Å; S97-R101 PolarHBondContact O-N 2.89Å; S98-R101 PolarHBondContact O-N 3.37Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.43Å; R101-T104 PolarHBondContact O-N 3.2Å; R101-I105 HydrophobicContact CG-CD1 3.89Å; R101-I105 HydrophobicContact CG-CG1 4.4Å; R101-I105 WeakPolarHBondContact O-CG1 3.44Å; R101-I105 PolarHBondContact O-N 2.99Å; R101-E108 IonicContact CZ-OE1 3.04Å; R101-E108 IonicContact NH1-OE1 2.77Å; R101-E108 PolarHBondContact NH1-OE1 3.43Å; R101-E108 IonicContact NH2-OE1 3.89Å; R101-E108 IonicContact NH2-OE2 2.7Å
102I95.9Very high95.9Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-60.6-44.9174.1-62.5-37.5000111.2L89 C91 S98 L99 D100 T104 I105 L106 I124 L146L89-I102 HydrophobicContact CB-CD1 3.91Å; L89-I102 HydrophobicContact CB-CG2 4.18Å; L89-I102 HydrophobicContact CD1-CG2 4.03Å; C91-I102 HydrophobicContact CB-CG1 4.15Å; S98-I102 WeakPolarHBondContact O-CG1 3.47Å; S98-I102 PolarHBondContact O-N 3.39Å; S98-I102 VanDerWaalsContact O-N 3.15Å; L99-I102 WeakPolarHBondContact O-CB 3.2Å; L99-I102 PolarHBondContact O-N 2.88Å; L99-I102 VanDerWaalsContact O-N 3.15Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 3.05Å; I102-T104 VanDerWaalsContact C-N 3.26Å; I102-T104 PolarHBondContact O-N 2.86Å; I102-I105 HydrophobicContact CD1-CD1 4.39Å; I102-I105 PolarHBondContact O-N 3.24Å; I102-L106 HydrophobicContact CG2-CD1 3.68Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 2.86Å; I102-I124 HydrophobicContact CG2-CD1 4.38Å; I102-I124 HydrophobicContact CG2-CG1 4.49Å; I102-L146 HydrophobicContact CB-CD2 4.37Å; I102-L146 HydrophobicContact CG2-CD2 4.12Å
103K95.1Very high95.7Very high89 Ų8947.3 Ų47.339%0.38724%0.239SC..Hα-helixtrans-53.7-45.6174.5-65.2170.5-170162.70111.6L99 D100 L106 K107 L146L99-K103 PolarHBondContact O-N 2.94Å; D100-K103 WeakPolarHBondContact O-CB 3.36Å; D100-K103 PolarHBondContact O-N 3.12Å; D100-K103 IonicContact OD1-NZ 2.78Å; D100-K103 PolarHBondContact OD1-NZ 2.73Å; K103-L106 PolarHBondContact O-N 2.67Å; K103-K107 PolarHBondContact O-N 2.73Å; K103-K107 VanDerWaalsContact O-N 3.13Å; K103-L146 HydrophobicContact CB-CD1 4.48Å; K103-L146 HydrophobicContact CD-CD1 3.96Å; K103-L146 HydrophobicContact CG-CD1 3.22Å
104T94.7Very high95.4Very high65 Ų6554.4 Ų54.440%0.39927%0.272SS..Hα-helixtrans-65.7-47.1-178.9-51.40000111.3D100 R101 I102 L106 K107 E108D100-T104 PolarHBondContact O-N 2.87Å; D100-T104 VanDerWaalsContact O-N 3.15Å; D100-T104 PolarHBondContact O-OG1 2.79Å; D100-T104 VanDerWaalsContact O-OG1 3.1Å; R101-T104 PolarHBondContact O-N 3.2Å; I102-T104 VanDerWaalsContact C-N 3.26Å; I102-T104 PolarHBondContact O-N 2.86Å; T104-L106 VanDerWaalsContact C-N 3.33Å; T104-L106 PolarHBondContact O-N 3.38Å; T104-K107 PolarHBondContact O-N 2.64Å; T104-E108 WeakPolarHBondContact CG2-OE1 3.38Å; T104-E108 WeakPolarHBondContact O-CG 3.47Å; T104-E108 PolarHBondContact O-N 3.48Å
105I95Very high95Very high2 Ų259.8 Ų59.81%0.0130%0.295CS..Hα-helixtrans-60.9-42.8178.5-68.4163.4000111M14 L89 R101 I102 K107 E108 I109M14-I105 HydrophobicContact CB-CD1 4.11Å; M14-I105 HydrophobicContact CB-CG2 4.37Å; M14-I105 HydrophobicContact CE-CG2 4.03Å; M14-I105 HydrophobicContact SD-CG2 4Å; L89-I105 HydrophobicContact CD2-CG2 3.82Å; R101-I105 HydrophobicContact CG-CD1 3.89Å; R101-I105 HydrophobicContact CG-CG1 4.4Å; R101-I105 WeakPolarHBondContact O-CG1 3.44Å; R101-I105 PolarHBondContact O-N 2.99Å; I102-I105 HydrophobicContact CD1-CD1 4.39Å; I102-I105 PolarHBondContact O-N 3.24Å; I105-K107 VanDerWaalsContact C-N 3.33Å; I105-K107 PolarHBondContact O-N 3.01Å; I105-E108 WeakPolarHBondContact O-CB 3.45Å; I105-E108 PolarHBondContact O-N 2.88Å; I105-I109 HydrophobicContact CG2-CD1 3.72Å; I105-I109 HydrophobicContact CG2-CG1 4.26Å; I105-I109 VanDerWaalsContact O-CG1 3.29Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 2.78Å
106L94.8Very high94.5Very high1 Ų162.7 Ų62.71%0.00531%0.311CS..Hα-helixtrans-62.2-41.3178.9-77164.7000111.9L89 I102 K103 T104 I109 Q110 Y117 T122 L150 I152L89-L106 HydrophobicContact CD1-CD1 3.98Å; L89-L106 HydrophobicContact CD1-CD2 3.4Å; L89-L106 VanDerWaalsContact CD1-CD2 3.4Å; L89-L106 HydrophobicContact CD1-CG 3.5Å; L89-L106 VanDerWaalsContact CD1-CG 3.5Å; I102-L106 HydrophobicContact CG2-CD1 3.68Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 2.86Å; K103-L106 PolarHBondContact O-N 2.67Å; T104-L106 VanDerWaalsContact C-N 3.33Å; T104-L106 PolarHBondContact O-N 3.38Å; L106-I109 PolarHBondContact O-N 2.89Å; L106-Q110 WeakPolarHBondContact O-CB 3.42Å; L106-Q110 PolarHBondContact O-N 2.89Å; L106-Y117 WeakPolarHBondContact CD2-OH 3.41Å; L106-T122 HydrophobicContact CD2-CG2 4.14Å; L106-L150 HydrophobicContact CB-CD1 4.27Å; L106-L150 HydrophobicContact CD1-CD1 3.28Å; L106-L150 HydrophobicContact CG-CD1 4.38Å; L106-I152 HydrophobicContact CD1-CD1 3.63Å; L106-I152 HydrophobicContact CD2-CD1 4.03Å
107K94.1Very high94.2Very high134 Ų13461.7 Ų61.758%0.58330%0.3SS*.Hα-helixtrans-62.7-45.2173.1-173.4179.5178.1-178.20111.8K103 T104 I105 I109 Q110 D111K103-K107 PolarHBondContact O-N 2.73Å; K103-K107 VanDerWaalsContact O-N 3.13Å; T104-K107 PolarHBondContact O-N 2.64Å; I105-K107 VanDerWaalsContact C-N 3.33Å; I105-K107 PolarHBondContact O-N 3.01Å; K107-I109 VanDerWaalsContact C-N 3.34Å; K107-I109 PolarHBondContact O-N 2.81Å; K107-Q110 WeakPolarHBondContact O-CB 3.5Å; K107-Q110 PolarHBondContact O-N 2.87Å; K107-D111 VanDerWaalsContact O-CG 3.28Å; K107-D111 PolarHBondContact O-N 3.02Å
108E94.5Very high93.7Very high56 Ų5670.2 Ų70.226%0.26232%0.323SS..Hα-helixtrans-59.4-42.9176.2-67.4168.4-163.900111.7Q81 R101 T104 I105 D111 E112Q81-E108 PolarHBondContact NE2-OE2 2.91Å; R101-E108 IonicContact CZ-OE1 3.04Å; R101-E108 IonicContact NH1-OE1 2.77Å; R101-E108 PolarHBondContact NH1-OE1 3.43Å; R101-E108 IonicContact NH2-OE1 3.89Å; R101-E108 IonicContact NH2-OE2 2.7Å; T104-E108 WeakPolarHBondContact CG2-OE1 3.38Å; T104-E108 WeakPolarHBondContact O-CG 3.47Å; T104-E108 PolarHBondContact O-N 3.48Å; I105-E108 WeakPolarHBondContact O-CB 3.45Å; I105-E108 PolarHBondContact O-N 2.88Å; E108-D111 PolarHBondContact O-N 3.28Å; E108-E112 WeakPolarHBondContact O-CB 3.29Å; E108-E112 PolarHBondContact O-N 3.11Å
109I95Very high93.1Very high0 Ų075.6 Ų75.60%035%0.347CS..Hα-helixtrans-64.4-43.1175.2-63.9163.5000110.5Q81 F87 L89 I105 L106 K107 D111 E112 R113 Y117Q81-I109 HydrophobicContact CB-CG1 4.34Å; Q81-I109 HydrophobicContact CG-CG1 3.77Å; F87-I109 HydrophobicContact CD1-CD1 3.99Å; F87-I109 HydrophobicContact CD2-CD1 3.97Å; F87-I109 HydrophobicContact CD2-CG2 4.41Å; F87-I109 HydrophobicContact CE1-CD1 4.07Å; F87-I109 HydrophobicContact CE1-CG1 4.33Å; F87-I109 HydrophobicContact CE2-CD1 4.03Å; F87-I109 HydrophobicContact CE2-CG1 4.34Å; F87-I109 HydrophobicContact CE2-CG2 3.68Å; F87-I109 HydrophobicContact CG-CD1 3.94Å; F87-I109 HydrophobicContact CZ-CD1 4.08Å; F87-I109 HydrophobicContact CZ-CG1 4.12Å; F87-I109 HydrophobicContact CZ-CG2 3.99Å; L89-I109 HydrophobicContact CD2-CD1 4.48Å; I105-I109 HydrophobicContact CG2-CD1 3.72Å; I105-I109 HydrophobicContact CG2-CG1 4.26Å; I105-I109 VanDerWaalsContact O-CG1 3.29Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 2.78Å; L106-I109 PolarHBondContact O-N 2.89Å; K107-I109 VanDerWaalsContact C-N 3.34Å; K107-I109 PolarHBondContact O-N 2.81Å; I109-D111 VanDerWaalsContact C-N 3.35Å; I109-E112 PolarHBondContact O-N 2.85Å; I109-R113 HydrophobicContact CG2-CG 4.21Å; I109-R113 WeakPolarHBondContact O-CB 3.45Å; I109-R113 WeakPolarHBondContact O-CG 3.24Å; I109-R113 PolarHBondContact O-N 3.13Å; I109-Y117 HydrophobicContact CB-CD2 4.47Å; I109-Y117 HydrophobicContact CB-CE2 4.29Å; I109-Y117 HydrophobicContact CG2-CD2 3.87Å; I109-Y117 HydrophobicContact CG2-CE2 4Å
110Q94.4Very high92.9Very high98 Ų9875.7 Ų75.746%0.45835%0.348SS..Hα-helixtrans-60.8-44.6178.2-177.2178.85.100111.5L106 K107 R113 Q114 Y117L106-Q110 WeakPolarHBondContact O-CB 3.42Å; L106-Q110 PolarHBondContact O-N 2.89Å; K107-Q110 WeakPolarHBondContact O-CB 3.5Å; K107-Q110 PolarHBondContact O-N 2.87Å; Q110-R113 PolarHBondContact O-N 2.88Å; Q110-Q114 WeakPolarHBondContact O-CA 3.26Å; Q110-Q114 PolarHBondContact O-N 2.76Å; Q110-Y117 HydrophobicContact CB-CD1 4.01Å; Q110-Y117 HydrophobicContact CB-CD2 3.88Å; Q110-Y117 HydrophobicContact CB-CE1 4.14Å; Q110-Y117 HydrophobicContact CB-CE2 4.01Å; Q110-Y117 HydrophobicContact CB-CG 3.88Å; Q110-Y117 HydrophobicContact CG-CD1 3.77Å; Q110-Y117 HydrophobicContact CG-CD2 4.45Å; Q110-Y117 HydrophobicContact CG-CE1 4.15Å; Q110-Y117 HydrophobicContact CG-CG 3.92Å
111D94.3Very high92.8Very high102 Ų10272.2 Ų72.255%0.54533%0.329SS..Hα-helixtrans-64.8-40.5178.5-69.3-19.7000111.6K107 E108 I109K107-D111 VanDerWaalsContact O-CG 3.28Å; K107-D111 PolarHBondContact O-N 3.02Å; E108-D111 PolarHBondContact O-N 3.28Å; I109-D111 VanDerWaalsContact C-N 3.35Å
112E94.6Very high92.8Very high40 Ų4069.8 Ų69.819%0.18732%0.322CS..Hα-helixtrans-75.5-31.3179.8-169.964.8-165.500113.1R78 Q81 R82 E108 I109R78-E112 VanDerWaalsContact CG-CD 3.46Å; R78-E112 HydrophobicContact CG-CG 4.2Å; R78-E112 WeakPolarHBondContact CG-OE1 3.43Å; R78-E112 WeakPolarHBondContact CG-OE2 3.45Å; R78-E112 IonicContact CZ-OE1 2.73Å; R78-E112 IonicContact CZ-OE2 2.64Å; R78-E112 VanDerWaalsContact NE-CD 3.28Å; R78-E112 IonicContact NE-OE1 3.73Å; R78-E112 PolarHBondContact NE-OE1 3.26Å; R78-E112 VanDerWaalsContact NE-OE1 3.15Å; R78-E112 IonicContact NE-OE2 2.76Å; R78-E112 PolarHBondContact NE-OE2 3.44Å; R78-E112 IonicContact NH2-OE1 3.19Å; R78-E112 IonicContact NH2-OE2 2.76Å; R78-E112 PolarHBondContact NH2-OE2 2.81Å; Q81-E112 HydrophobicContact CB-CB 4.12Å; Q81-E112 HydrophobicContact CB-CG 4.12Å; R82-E112 HydrophobicContact CB-CG 3.86Å; R82-E112 IonicContact NH1-OE1 3.85Å; E108-E112 WeakPolarHBondContact O-CB 3.29Å; E108-E112 PolarHBondContact O-N 3.11Å; I109-E112 PolarHBondContact O-N 2.85Å
113R93.8Very high92.8Very high34 Ų3469.8 Ų69.813%0.12832%0.322CS..Hα-helixtrans-97.7-19.7-177.6-67.9-168.9176.3-151.1-11.2115.2Q81 A84 I109 Q110 E115 N116 S120Q81-R113 PolarHBondContact O-NE 2.91Å; Q81-R113 PolarHBondContact O-NH2 2.89Å; Q81-R113 VanDerWaalsContact O-NH2 3.12Å; A84-R113 PolarHBondContact O-NH2 3.31Å; I109-R113 HydrophobicContact CG2-CG 4.21Å; I109-R113 WeakPolarHBondContact O-CB 3.45Å; I109-R113 WeakPolarHBondContact O-CG 3.24Å; I109-R113 PolarHBondContact O-N 3.13Å; Q110-R113 PolarHBondContact O-N 2.88Å; R113-E115 PolarHBondContact O-N 3.33Å; R113-N116 WeakPolarHBondContact O-CB 3.44Å; R113-N116 PolarHBondContact O-N 3.1Å; R113-S120 WeakPolarHBondContact CD-OG 3.28Å; R113-S120 PolarHBondContact NH1-OG 3.42Å
114Q92.9Very high92.9Very high150 Ų15065.6 Ų65.670%0.70130%0.303SS*.G310 helixtrans50.1-122.5-179.4-56.4179.4-7.300111.8Q110 N116 Y117Q110-Q114 WeakPolarHBondContact O-CA 3.26Å; Q110-Q114 PolarHBondContact O-N 2.76Å; Q114-N116 PolarHBondContact O-N 2.96Å; Q114-Y117 WeakPolarHBondContact O-CB 3.4Å; Q114-Y117 PolarHBondContact O-N 3.37Å
115E89.4Confident93.1Very high179 Ų17962.5 Ų62.584%0.83628%0.284SS*.G310 helixtrans-61.2-27.9-179-60.8-174.7174.600113.4R113 Y117R113-E115 PolarHBondContact O-N 3.33Å; E115-Y117 PolarHBondContact O-N 2.78Å
116N88.1Confident93.3Very high93 Ų9362.4 Ų62.450%0.49728%0.284SS..G310 helixtrans-77.4-7.6177-68.1-44.3000113R113 Q114 R118 K119 S120R113-N116 WeakPolarHBondContact O-CB 3.44Å; R113-N116 PolarHBondContact O-N 3.1Å; Q114-N116 PolarHBondContact O-N 2.96Å; N116-R118 VanDerWaalsContact C-N 3.28Å; N116-R118 PolarHBondContact O-N 3.15Å; N116-K119 PolarHBondContact O-N 3.32Å; N116-K119 VanDerWaalsContact O-N 3.08Å; N116-S120 PolarHBondContact O-OG 3.22Å
117Y90.3Very high93.5Very high39 Ų3962.5 Ų62.515%0.15328%0.284CS..G310 helixtrans-54.4-45.4177.6174.3-115.7000111.8L106 I109 Q110 Q114 E115 K119 S120L106-Y117 WeakPolarHBondContact CD2-OH 3.41Å; I109-Y117 HydrophobicContact CB-CD2 4.47Å; I109-Y117 HydrophobicContact CB-CE2 4.29Å; I109-Y117 HydrophobicContact CG2-CD2 3.87Å; I109-Y117 HydrophobicContact CG2-CE2 4Å; Q110-Y117 HydrophobicContact CB-CD1 4.01Å; Q110-Y117 HydrophobicContact CB-CD2 3.88Å; Q110-Y117 HydrophobicContact CB-CE1 4.14Å; Q110-Y117 HydrophobicContact CB-CE2 4.01Å; Q110-Y117 HydrophobicContact CB-CG 3.88Å; Q110-Y117 HydrophobicContact CG-CD1 3.77Å; Q110-Y117 HydrophobicContact CG-CD2 4.45Å; Q110-Y117 HydrophobicContact CG-CE1 4.15Å; Q110-Y117 HydrophobicContact CG-CG 3.92Å; Q114-Y117 WeakPolarHBondContact O-CB 3.4Å; Q114-Y117 PolarHBondContact O-N 3.37Å; E115-Y117 PolarHBondContact O-N 2.78Å; Y117-K119 PolarHBondContact O-N 3.3Å; Y117-K119 VanDerWaalsContact O-N 3.08Å; Y117-S120 WeakPolarHBondContact O-CB 3.42Å; Y117-S120 PolarHBondContact O-N 3.25Å; Y117-S120 PolarHBondContact O-OG 3.1Å
118R85.7Confident93.6Very high234 Ų23458.1 Ų58.188%0.88327%0.265SS*.G310 helixtrans-62.8-17.7-179.3-68.4-172.1179.3158.52.6114.4N116 S120N116-R118 VanDerWaalsContact C-N 3.28Å; N116-R118 PolarHBondContact O-N 3.15Å; R118-S120 VanDerWaalsContact C-N 3.34Å
119K85.4Confident93.8Very high114 Ų11456.6 Ų56.650%0.49626%0.261SS..G310 helixtrans-90.2-0.9176.7-58.6176.4179.8174.60112.5N116 Y117 I121N116-K119 PolarHBondContact O-N 3.32Å; N116-K119 VanDerWaalsContact O-N 3.08Å; Y117-K119 PolarHBondContact O-N 3.3Å; Y117-K119 VanDerWaalsContact O-N 3.08Å; K119-I121 PolarHBondContact O-N 3.23Å
120S91Very high93.8Very high14 Ų1458.9 Ų58.910%0.09827%0.273CS..  trans-80.7117-174-52.10000110.7R113 N116 Y117 R118 T122R113-S120 WeakPolarHBondContact CD-OG 3.28Å; R113-S120 PolarHBondContact NH1-OG 3.42Å; N116-S120 PolarHBondContact O-OG 3.22Å; Y117-S120 WeakPolarHBondContact O-CB 3.42Å; Y117-S120 PolarHBondContact O-N 3.25Å; Y117-S120 PolarHBondContact O-OG 3.1Å; R118-S120 VanDerWaalsContact C-N 3.34Å; S120-T122 PolarHBondContact O-N 3.48Å; S120-T122 PolarHBondContact O-OG1 3.22Å
121I94.1Very high94Very high11 Ų1155.9 Ų55.96%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-64.4121171.1-62.2167.2000108.3A86 F87 K119 L175 Q178 N179 I187A86-I121 CarbonylContact C-O 3.57Å; A86-I121 VanDerWaalsContact CA-O 3.27Å; A86-I121 WeakPolarHBondContact CA-O 3.45Å; A86-I121 HydrophobicContact CB-CB 3.77Å; A86-I121 HydrophobicContact CB-CG2 3.69Å; F87-I121 PolarHBondContact N-O 2.96Å; K119-I121 PolarHBondContact O-N 3.23Å; I121-L175 HydrophobicContact CG2-CD2 3.68Å; I121-Q178 HydrophobicContact CB-CB 4.49Å; I121-Q178 HydrophobicContact CG1-CB 4.23Å; I121-Q178 HydrophobicContact CG2-CB 3.87Å; I121-N179 HydrophobicContact CD1-CB 3.79Å; I121-I187 HydrophobicContact CD1-CD1 4.1Å
122T95.2Very high94.1Very high11 Ų1159.7 Ų59.77%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-140.8128.1-174-54.60000110.6F87 L89 L106 S120 Q178F87-T122 HydrophobicContact CB-CG2 4.39Å; F87-T122 WeakPolarHBondContact O-CA 3.3Å; L89-T122 HydrophobicContact CD1-CG2 3.76Å; L89-T122 HydrophobicContact CG-CG2 4.03Å; L106-T122 HydrophobicContact CD2-CG2 4.14Å; S120-T122 PolarHBondContact O-N 3.48Å; S120-T122 PolarHBondContact O-OG1 3.22Å; T122-Q178 PolarHBondContact O-NE2 3.13Å; T122-Q178 PolarHBondContact O-OE1 2.78Å
123V96.6Very high94.2Very high0 Ų064.4 Ų64.40%029%0.289CS..EExtended strand (participates in β ladder)trans-118.6128.1173.7-175.40000108.9F87 V88 L89 V125 S156 V158 V174 L175F87-V123 PolarHBondContact O-N 2.73Å; V88-V123 CarbonylContact C-O 3.44Å; V88-V123 WeakPolarHBondContact CA-O 3.36Å; L89-V123 PolarHBondContact N-O 2.73Å; V123-V125 HydrophobicContact CG1-CG2 4.09Å; V123-S156 CarbonylContact C-O 3.52Å; V123-S156 WeakPolarHBondContact CA-O 3.39Å; V123-S156 WeakPolarHBondContact CG1-O 3.44Å; V123-V158 HydrophobicContact CG1-CB 4.41Å; V123-V158 HydrophobicContact CG1-CG2 3.87Å; V123-V174 HydrophobicContact CB-CG1 4.47Å; V123-V174 HydrophobicContact CG1-CB 4.49Å; V123-V174 HydrophobicContact CG1-CG1 4.2Å; V123-V174 HydrophobicContact CG2-CB 4.12Å; V123-V174 HydrophobicContact CG2-CG1 3.59Å; V123-L175 HydrophobicContact CG2-CD2 3.71Å; V123-L175 HydrophobicContact CG2-CG 3.82Å
124I97.8Very high94.3Very high0 Ų067.7 Ų67.70%032%0.317CS..EExtended strand (participates in β ladder)trans-91.2129.8169.4-63.3176.7000107.7L89 I102 L146 I152 S156 V157 V158L89-I124 HydrophobicContact CB-CG1 4.47Å; L89-I124 CarbonylContact O-C 3.6Å; L89-I124 WeakPolarHBondContact O-CA 3.37Å; I102-I124 HydrophobicContact CG2-CD1 4.38Å; I102-I124 HydrophobicContact CG2-CG1 4.49Å; I124-L146 HydrophobicContact CD1-CD2 4.49Å; I124-I152 HydrophobicContact CD1-CD1 3.78Å; I124-I152 HydrophobicContact CD1-CG2 4.31Å; I124-S156 PolarHBondContact N-O 2.62Å; I124-V157 HydrophobicContact CB-CG2 4.34Å; I124-V157 CarbonylContact O-C 3.58Å; I124-V157 WeakPolarHBondContact O-CA 3.4Å; I124-V158 PolarHBondContact O-N 3.18Å
125V98.5Very high94.5Very high0 Ų066 Ų660%031%0.309CS..EExtended strand (participates in β ladder)trans-116.8118.8179.4-179.10000109.7L24 V88 L89 V90 C91 V123 N127 V158 A160 I171L24-V125 HydrophobicContact CD1-CG1 3.97Å; V88-V125 HydrophobicContact CG1-CB 4.44Å; V88-V125 HydrophobicContact CG1-CG2 3.51Å; L89-V125 PolarHBondContact O-N 3.15Å; V90-V125 WeakPolarHBondContact CA-O 3.42Å; V90-V125 HydrophobicContact CG2-CB 4.35Å; C91-V125 PolarHBondContact N-O 2.76Å; V123-V125 HydrophobicContact CG1-CG2 4.09Å; V125-N127 HydrophobicContact CG1-CB 4.43Å; V125-N127 PolarHBondContact O-N 3.23Å; V125-V158 CarbonylContact C-O 3.59Å; V125-V158 VanDerWaalsContact CA-O 3.26Å; V125-V158 WeakPolarHBondContact CA-O 2.92Å; V125-A160 HydrophobicContact CG1-CB 3.66Å; V125-I171 HydrophobicContact CG1-CD1 4.01Å; V125-I171 HydrophobicContact CG2-CD1 3.78Å; V125-I171 HydrophobicContact CG2-CG1 3.75Å
126V98.6Very high94.9Very high1 Ų159 Ų591%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-92.991.2172.4-169.90000107.7R93 V143 V157 V158 A160R93-V126 HydrophobicContact CG-CG1 4.23Å; V126-V143 HydrophobicContact CG2-CB 4.35Å; V126-V143 HydrophobicContact CG2-CG1 3.79Å; V126-V143 HydrophobicContact CG2-CG2 3.76Å; V126-V157 HydrophobicContact CG2-CG1 4.09Å; V126-V158 PolarHBondContact N-O 3.27Å; V126-A160 PolarHBondContact O-N 3.3Å
127N98.6Very high95.4Very high3 Ų359.5 Ų59.52%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-83.6170.2-175-167.630.1000112.4V19 L24 V90 C91 A92 R93 V125 S129 A160 A162V19-N127 PolarHBondContact O-ND2 3.45Å; L24-N127 HydrophobicContact CD1-CB 4.31Å; V90-N127 HydrophobicContact CG1-CB 3.91Å; C91-N127 WeakPolarHBondContact O-CB 3.43Å; C91-N127 PolarHBondContact O-N 3.3Å; A92-N127 WeakPolarHBondContact CA-O 3.19Å; R93-N127 PolarHBondContact N-O 3.05Å; V125-N127 HydrophobicContact CG1-CB 4.43Å; V125-N127 PolarHBondContact O-N 3.23Å; N127-S129 VanDerWaalsContact C-N 3.35Å; N127-A160 CarbonylContact C-O 3.27Å; N127-A160 VanDerWaalsContact C-O 3.27Å; N127-A160 WeakPolarHBondContact CA-O 3.44Å; N127-A160 PolarHBondContact OD1-O 2.67Å; N127-A162 PolarHBondContact OD1-N 3.15Å
128K97.6Very high95.7Very high41 Ų4157.8 Ų57.818%0.17827%0.27CS..  trans64.138.2-178.8-47.7-172.9-166.6165.50112.7Q18 A92 D94 D130 I131 A160Q18-K128 WeakPolarHBondContact O-CE 3.47Å; Q18-K128 PolarHBondContact O-NZ 3.14Å; A92-K128 HydrophobicContact CB-CD 3.91Å; A92-K128 HydrophobicContact CB-CG 4.1Å; D94-K128 WeakPolarHBondContact OD1-CD 3.35Å; D94-K128 WeakPolarHBondContact OD1-CE 3.37Å; D94-K128 IonicContact OD1-NZ 3.45Å; D94-K128 PolarHBondContact OD1-NZ 3.06Å; D94-K128 WeakPolarHBondContact OD2-CD 3.33Å; D94-K128 IonicContact OD2-NZ 3.71Å; D94-K128 PolarHBondContact OD2-NZ 3.41Å; K128-D130 WeakPolarHBondContact CA-OD1 3.4Å; K128-D130 PolarHBondContact O-N 3.46Å; K128-I131 HydrophobicContact CB-CD1 3.88Å; K128-I131 HydrophobicContact CB-CG1 4.23Å; K128-I131 HydrophobicContact CD-CD1 4.28Å; K128-I131 WeakPolarHBondContact O-CB 3.37Å; K128-I131 WeakPolarHBondContact O-CG1 3.39Å; K128-I131 PolarHBondContact O-N 2.92Å; K128-A160 PolarHBondContact N-O 3.15Å
129S97.7Very high96.3Very high25 Ų2550 Ų5018%0.17524%0.243CC..THydrogen-bonded Turntrans-66.8-7.5173.6700000113.8N127 I131 A160 S161N127-S129 VanDerWaalsContact C-N 3.35Å; S129-I131 PolarHBondContact O-N 3.29Å; S129-A160 WeakPolarHBondContact CB-O 3.49Å; S129-A160 PolarHBondContact N-O 3.25Å; S129-A160 PolarHBondContact OG-O 3.06Å; S129-A160 VanDerWaalsContact OG-O 3.1Å; S129-S161 PolarHBondContact OG-N 2.95Å
130D96.1Very high96.7Very high47 Ų4747.2 Ų47.225%0.25123%0.233SC..THydrogen-bonded Turntrans-70.5-16.317155.9-75.7000113.3K128 S161 R163 D164K128-D130 WeakPolarHBondContact CA-OD1 3.4Å; K128-D130 PolarHBondContact O-N 3.46Å; D130-S161 WeakPolarHBondContact CB-OG 3.5Å; D130-S161 VanDerWaalsContact CG-OG 3.3Å; D130-S161 WeakPolarHBondContact OD1-CB 3.49Å; D130-S161 PolarHBondContact OD1-OG 3.21Å; D130-R163 WeakPolarHBondContact OD2-CD 3.37Å; D130-R163 IonicContact OD2-NH1 3.45Å; D130-R163 PolarHBondContact OD2-NH1 3.43Å; D130-D164 WeakPolarHBondContact CB-OD2 3.4Å
131I97Very high97Very high35 Ų3552.6 Ų52.618%0.17926%0.257CS..SBendtrans-66.5140.2172.1-61.1179000108.8R93 D94 K128 S129 E133 E135 W136R93-I131 HydrophobicContact CB-CD1 4.46Å; D94-I131 HydrophobicContact CB-CD1 3.59Å; K128-I131 HydrophobicContact CB-CD1 3.88Å; K128-I131 HydrophobicContact CB-CG1 4.23Å; K128-I131 HydrophobicContact CD-CD1 4.28Å; K128-I131 WeakPolarHBondContact O-CB 3.37Å; K128-I131 WeakPolarHBondContact O-CG1 3.39Å; K128-I131 PolarHBondContact O-N 2.92Å; S129-I131 PolarHBondContact O-N 3.29Å; I131-E133 PolarHBondContact O-N 2.99Å; I131-E135 HydrophobicContact CG2-CB 3.83Å; I131-W136 PolarHBondContact O-NE1 3.03Å
132R97Very high97.1Very high182 Ų18255.1 Ų55.169%0.68727%0.271SS*.  trans-58.5135.9177.3-67.4178.8175173.1-1.3110.3S134 E135 W136R132-S134 PolarHBondContact O-N 2.81Å; R132-S134 VanDerWaalsContact O-N 3.13Å; R132-E135 HydrophobicContact CB-CG 4.44Å; R132-E135 WeakPolarHBondContact CD-OE1 3.11Å; R132-E135 WeakPolarHBondContact O-CA 3.4Å; R132-E135 WeakPolarHBondContact O-CB 3.36Å; R132-E135 PolarHBondContact O-N 2.88Å; R132-W136 VanDerWaalsContact O-CD1 3.28Å; R132-W136 PolarHBondContact O-N 3.42Å
133E96Very high97.1Very high140 Ų14054.7 Ų54.765%0.65427%0.268SS*.G310 helixtrans-54.9-35-176.9-170.1-179.2161.600113.6I131 E135 W136 K139I131-E133 PolarHBondContact O-N 2.99Å; E133-E135 PolarHBondContact O-N 3.22Å; E133-W136 HydrophobicContact CB-CD2 4.36Å; E133-W136 HydrophobicContact CB-CZ2 4.35Å; E133-W136 HydrophobicContact CG-CD2 4.12Å; E133-W136 HydrophobicContact CG-CE3 3.89Å; E133-W136 HydrophobicContact CG-CH2 4.15Å; E133-W136 HydrophobicContact CG-CZ2 4.38Å; E133-W136 HydrophobicContact CG-CZ3 3.9Å; E133-W136 WeakPolarHBondContact O-CB 3.33Å; E133-W136 PolarHBondContact O-N 2.91Å; E133-W136 VanDerWaalsContact O-N 3.17Å; E133-K139 PolarHBondContact O-NZ 2.76Å
134S96.6Very high97Very high103 Ų10359.1 Ų59.172%0.7229%0.289SS*.G310 helixtrans-61.1-23.9174.356.40000113.9R132R132-S134 PolarHBondContact O-N 2.81Å; R132-S134 VanDerWaalsContact O-N 3.13Å
135E97.3Very high96.8Very high113 Ų11364.9 Ų64.953%0.52832%0.316SS..G310 helixtrans-100.5-3-178.7-62.3174.1-129.500112.5I131 R132 E133 L137I131-E135 HydrophobicContact CG2-CB 3.83Å; R132-E135 HydrophobicContact CB-CG 4.44Å; R132-E135 WeakPolarHBondContact CD-OE1 3.11Å; R132-E135 WeakPolarHBondContact O-CA 3.4Å; R132-E135 WeakPolarHBondContact O-CB 3.36Å; R132-E135 PolarHBondContact O-N 2.88Å; E133-E135 PolarHBondContact O-N 3.22Å; E135-L137 PolarHBondContact O-N 3.06Å
136W97.8Very high96.5Very high33 Ų3365.1 Ų65.113%0.12532%0.317CS..  trans-62123.1177.1-67.8-0.8000110.5R93 I131 R132 E133 K139R93-W136 HydrophobicContact CB-CG 4.19Å; R93-W136 HydrophobicContact CG-CD2 4.24Å; R93-W136 HydrophobicContact CG-CG 4.16Å; R93-W136 VanDerWaalsContact NH2-CH2 3.31Å; I131-W136 PolarHBondContact O-NE1 3.03Å; R132-W136 VanDerWaalsContact O-CD1 3.28Å; R132-W136 PolarHBondContact O-N 3.42Å; E133-W136 HydrophobicContact CB-CD2 4.36Å; E133-W136 HydrophobicContact CB-CZ2 4.35Å; E133-W136 HydrophobicContact CG-CD2 4.12Å; E133-W136 HydrophobicContact CG-CE3 3.89Å; E133-W136 HydrophobicContact CG-CH2 4.15Å; E133-W136 HydrophobicContact CG-CZ2 4.38Å; E133-W136 HydrophobicContact CG-CZ3 3.9Å; E133-W136 WeakPolarHBondContact O-CB 3.33Å; E133-W136 PolarHBondContact O-N 2.91Å; E133-W136 VanDerWaalsContact O-N 3.17Å; W136-K139 HydrophobicContact CB-CD 3.91Å; W136-K139 WeakPolarHBondContact O-CE 3.39Å; W136-K139 PolarHBondContact O-NZ 3Å
137L98Very high96.2Very high104 Ų10465.1 Ų65.155%0.54532%0.317SS..SBendtrans-91-21.7171.6-56.4-177.9000111.8R93 P96 E135R93-L137 PolarHBondContact O-N 3.14Å; P96-L137 HydrophobicContact CG-CB 3.47Å; P96-L137 VanDerWaalsContact CG-CB 3.47Å; P96-L137 HydrophobicContact CG-CD1 4.28Å; E135-L137 PolarHBondContact O-N 3.06Å
138V97.9Very high96Very high2 Ų272.3 Ų72.31%0.01235%0.351CS..SBendtrans-108.1107.7167.41770000108.5A92 R93 P96 L99 V143A92-V138 WeakPolarHBondContact O-CG2 3.46Å; R93-V138 VanDerWaalsContact CD-O 3.31Å; R93-V138 WeakPolarHBondContact CD-O 3.17Å; R93-V138 PolarHBondContact NH1-O 2.83Å; R93-V138 PolarHBondContact O-N 2.81Å; P96-V138 HydrophobicContact CB-CG2 4.48Å; L99-V138 HydrophobicContact CD1-CG1 4.48Å; L99-V138 HydrophobicContact CD2-CG1 4.19Å; V138-V143 HydrophobicContact CG1-CG2 3.65Å
139K97.1Very high95.7Very high70 Ų7075.8 Ų75.830%0.30437%0.371SS..  trans-84.8167.8178.9-56.1-55-164.2-171.90111.2E133 W136 E141 D142 V143E133-K139 PolarHBondContact O-NZ 2.76Å; W136-K139 HydrophobicContact CB-CD 3.91Å; W136-K139 WeakPolarHBondContact O-CE 3.39Å; W136-K139 PolarHBondContact O-NZ 3Å; K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 VanDerWaalsContact CB-OE2 3.24Å; K139-E141 WeakPolarHBondContact CB-OE2 3.39Å; K139-D142 PolarHBondContact N-OD2 3.14Å; K139-D142 PolarHBondContact O-N 3.03Å; K139-V143 PolarHBondContact O-N 2.86Å
140D95.4Very high95.2Very high56 Ų5677.3 Ų77.330%0.29938%0.377SS..Hα-helixtrans-65.8-37178.1-72.4-22.9000111R93 D142 V143 E144R93-D140 IonicContact CZ-OD1 2.73Å; R93-D140 IonicContact NH1-OD1 3.53Å; R93-D140 PolarHBondContact NH1-OD1 2.8Å; R93-D140 IonicContact NH2-OD1 3.15Å; R93-D140 PolarHBondContact NH2-OD1 3.2Å; R93-D140 IonicContact NH2-OD2 3.25Å; D140-D142 VanDerWaalsContact C-N 3.29Å; D140-D142 PolarHBondContact O-N 3.17Å; D140-V143 PolarHBondContact O-N 3.41Å; D140-E144 WeakPolarHBondContact O-CG 3.1Å; D140-E144 PolarHBondContact O-N 3.06Å
141E95.8Very high94.9Very high128 Ų12884 Ų8460%0.59840%0.404SS*.Hα-helixtrans-60.6-36.9177.2-6179.7-176.100112.3K139 V143 Q145K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 VanDerWaalsContact CB-OE2 3.24Å; K139-E141 WeakPolarHBondContact CB-OE2 3.39Å; E141-V143 VanDerWaalsContact C-N 3.31Å; E141-V143 PolarHBondContact O-N 2.97Å; E141-Q145 VanDerWaalsContact O-CB 3.26Å; E141-Q145 WeakPolarHBondContact O-CB 3.31Å; E141-Q145 PolarHBondContact O-N 2.87Å
142D95.8Very high94.6Very high64 Ų6483.4 Ų83.434%0.34240%0.401SS..Hα-helixtrans-64.8-38.9177-59.9-48.4000111.2L99 K139 D140 L146L99-D142 HydrophobicContact CD2-CB 3.75Å; K139-D142 PolarHBondContact N-OD2 3.14Å; K139-D142 PolarHBondContact O-N 3.03Å; D140-D142 VanDerWaalsContact C-N 3.29Å; D140-D142 PolarHBondContact O-N 3.17Å; D142-L146 WeakPolarHBondContact O-CB 3.46Å; D142-L146 PolarHBondContact O-N 2.89Å; D142-L146 VanDerWaalsContact O-N 3.07Å
143V95.8Very high94.4Very high2 Ų278.3 Ų78.31%0.01239%0.392CS..Hα-helixtrans-76.3-40.4-179.1-178.70000110.7L99 V126 V138 K139 D140 E141 L146 A147 V157L99-V143 HydrophobicContact CD1-CG2 4.11Å; V126-V143 HydrophobicContact CG2-CB 4.35Å; V126-V143 HydrophobicContact CG2-CG1 3.79Å; V126-V143 HydrophobicContact CG2-CG2 3.76Å; V138-V143 HydrophobicContact CG1-CG2 3.65Å; K139-V143 PolarHBondContact O-N 2.86Å; D140-V143 PolarHBondContact O-N 3.41Å; E141-V143 VanDerWaalsContact C-N 3.31Å; E141-V143 PolarHBondContact O-N 2.97Å; V143-L146 WeakPolarHBondContact O-CB 3.39Å; V143-L146 PolarHBondContact O-N 2.84Å; V143-A147 WeakPolarHBondContact O-CB 3.3Å; V143-A147 PolarHBondContact O-N 2.82Å; V143-V157 HydrophobicContact CG1-CG1 3.63Å; V143-V157 HydrophobicContact CG1-CG2 4.4Å
144E94Very high94.2Very high92 Ų9277.1 Ų77.143%0.4338%0.384SS..Hα-helixtrans-60-48.5173.5-74.8176.4-174.100111.1D140 L146 A147 E148 F154D140-E144 WeakPolarHBondContact O-CG 3.1Å; D140-E144 PolarHBondContact O-N 3.06Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 3.2Å; E144-A147 PolarHBondContact O-N 3.13Å; E144-A147 VanDerWaalsContact O-N 3.17Å; E144-E148 WeakPolarHBondContact O-CB 3.47Å; E144-E148 PolarHBondContact O-N 3.42Å; E144-F154 HydrophobicContact CG-CD2 3.98Å; E144-F154 HydrophobicContact CG-CE2 3.44Å; E144-F154 VanDerWaalsContact CG-CE2 3.44Å; E144-F154 HydrophobicContact CG-CZ 4.05Å
145Q94.6Very high94.1Very high122 Ų12276.1 Ų76.157%0.5738%0.377SS*.Hα-helixtrans-61.7-38.6176.7-176.317663.900111.7E141 N149E141-Q145 VanDerWaalsContact O-CB 3.26Å; E141-Q145 WeakPolarHBondContact O-CB 3.31Å; E141-Q145 PolarHBondContact O-N 2.87Å; Q145-N149 VanDerWaalsContact O-CB 3.31Å; Q145-N149 WeakPolarHBondContact O-CB 3.33Å; Q145-N149 PolarHBondContact O-N 3.19Å; Q145-N149 VanDerWaalsContact O-N 3.07Å; Q145-N149 PolarHBondContact O-ND2 3.3Å
146L92.8Very high94Very high4 Ų471 Ų712%0.02135%0.354CS..Hα-helixtrans-61.3-49.8173.2173.865.2000111.6L99 I102 K103 I124 D142 V143 E144 E148 N149 L150L99-L146 HydrophobicContact CD1-CD2 3.39Å; L99-L146 HydrophobicContact CG-CD2 3.9Å; I102-L146 HydrophobicContact CB-CD2 4.37Å; I102-L146 HydrophobicContact CG2-CD2 4.12Å; K103-L146 HydrophobicContact CB-CD1 4.48Å; K103-L146 HydrophobicContact CD-CD1 3.96Å; K103-L146 HydrophobicContact CG-CD1 3.22Å; I124-L146 HydrophobicContact CD1-CD2 4.49Å; D142-L146 WeakPolarHBondContact O-CB 3.46Å; D142-L146 PolarHBondContact O-N 2.89Å; D142-L146 VanDerWaalsContact O-N 3.07Å; V143-L146 WeakPolarHBondContact O-CB 3.39Å; V143-L146 PolarHBondContact O-N 2.84Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 3.2Å; L146-E148 PolarHBondContact O-N 2.78Å; L146-N149 PolarHBondContact O-N 2.99Å; L146-L150 HydrophobicContact CD1-CD1 3.43Å; L146-L150 VanDerWaalsContact CD1-CD1 3.43Å; L146-L150 HydrophobicContact CD1-CG 4.01Å; L146-L150 HydrophobicContact CG-CD1 4.15Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.1Å
147A92.4Very high94Very high2 Ų270.5 Ų70.52%0.01736%0.355CS..Hα-helixtrans-61.6-44-177.500000111.2V143 E144 L150 K151 I152 V157V143-A147 WeakPolarHBondContact O-CB 3.3Å; V143-A147 PolarHBondContact O-N 2.82Å; E144-A147 PolarHBondContact O-N 3.13Å; E144-A147 VanDerWaalsContact O-N 3.17Å; A147-L150 CarbonylContact O-C 3.54Å; A147-L150 PolarHBondContact O-N 3.02Å; A147-K151 PolarHBondContact O-N 2.91Å; A147-I152 PolarHBondContact O-N 3.47Å; A147-V157 HydrophobicContact CB-CG2 4.25Å
148E92.9Very high94Very high153 Ų15366 Ų6672%0.71533%0.331SS*.Hα-helixtrans-60.6-50.8175.8-174.3177.4-16400111.7E144 L146 L150 K151E144-E148 WeakPolarHBondContact O-CB 3.47Å; E144-E148 PolarHBondContact O-N 3.42Å; L146-E148 PolarHBondContact O-N 2.78Å; E148-L150 PolarHBondContact O-N 2.99Å; E148-K151 PolarHBondContact O-N 3.17Å
149N91.4Very high94Very high115 Ų11568 Ų6862%0.61534%0.344SS*.Hα-helixtrans-58.8-35.3-180-77.8-36.9000112.8Q145 L146Q145-N149 VanDerWaalsContact O-CB 3.31Å; Q145-N149 WeakPolarHBondContact O-CB 3.33Å; Q145-N149 PolarHBondContact O-N 3.19Å; Q145-N149 VanDerWaalsContact O-N 3.07Å; Q145-N149 PolarHBondContact O-ND2 3.3Å; L146-N149 PolarHBondContact O-N 2.99Å
150L88.2Confident94Very high57 Ų5764.7 Ų64.730%0.29833%0.33SS..THydrogen-bonded Turntrans-94.62.7-179.3-60.4-176.5000113.4L106 L146 A147 E148 I152L106-L150 HydrophobicContact CB-CD1 4.27Å; L106-L150 HydrophobicContact CD1-CD1 3.28Å; L106-L150 HydrophobicContact CG-CD1 4.38Å; L146-L150 HydrophobicContact CD1-CD1 3.43Å; L146-L150 VanDerWaalsContact CD1-CD1 3.43Å; L146-L150 HydrophobicContact CD1-CG 4.01Å; L146-L150 HydrophobicContact CG-CD1 4.15Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.1Å; A147-L150 CarbonylContact O-C 3.54Å; A147-L150 PolarHBondContact O-N 3.02Å; E148-L150 PolarHBondContact O-N 2.99Å; L150-I152 HydrophobicContact CB-CD1 4.09Å; L150-I152 HydrophobicContact CB-CG1 4.2Å; L150-I152 PolarHBondContact O-N 2.81Å
151K89.2Confident94.1Very high188 Ų18862.1 Ų62.182%0.81732%0.316SS*.THydrogen-bonded Turntrans55.135.9-178.3-53.8-178.9-179.7-177.10112.8A147 E148A147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 3.17Å
152I90.3Very high94Very high21 Ų2156 Ų5611%0.10829%0.287CS..  trans-91.3124.5173.2-66.7173.9000106.9L106 I124 A147 L150 F154L106-I152 HydrophobicContact CD1-CD1 3.63Å; L106-I152 HydrophobicContact CD2-CD1 4.03Å; I124-I152 HydrophobicContact CD1-CD1 3.78Å; I124-I152 HydrophobicContact CD1-CG2 4.31Å; A147-I152 PolarHBondContact O-N 3.47Å; L150-I152 HydrophobicContact CB-CD1 4.09Å; L150-I152 HydrophobicContact CB-CG1 4.2Å; L150-I152 PolarHBondContact O-N 2.81Å; I152-F154 PolarHBondContact O-N 3.17Å
153P92.3Very high93.9Very high76 Ų7658.8 Ų58.849%0.49429%0.293SS..  trans-55.8139.6175.4-24.834.5000111S155 S156P153-S155 WeakPolarHBondContact CB-OG 3.43Å; P153-S155 PolarHBondContact O-N 3.34Å; P153-S156 WeakPolarHBondContact O-CA 3.39Å; P153-S156 WeakPolarHBondContact O-CB 3.46Å; P153-S156 PolarHBondContact O-N 2.94Å; P153-S156 PolarHBondContact O-OG 2.93Å
154F93.3Very high93.7Very high114 Ų11463.8 Ų63.850%0.532%0.319SS..G310 helixtrans-63.4-24.9178-169.5-109.9000112.6E144 I152 S156 V157E144-F154 HydrophobicContact CG-CD2 3.98Å; E144-F154 HydrophobicContact CG-CE2 3.44Å; E144-F154 VanDerWaalsContact CG-CE2 3.44Å; E144-F154 HydrophobicContact CG-CZ 4.05Å; I152-F154 PolarHBondContact O-N 3.17Å; F154-S156 PolarHBondContact O-N 3.47Å; F154-S156 VanDerWaalsContact O-N 3.14Å; F154-V157 HydrophobicContact CD2-CB 4.23Å; F154-V157 HydrophobicContact CD2-CG2 4.05Å; F154-V157 HydrophobicContact CE2-CB 4.28Å; F154-V157 HydrophobicContact CE2-CG1 4.41Å; F154-V157 HydrophobicContact CE2-CG2 4.42Å; F154-V157 WeakPolarHBondContact O-CB 3.38Å; F154-V157 PolarHBondContact O-N 2.76Å
155S93.8Very high93.6Very high82 Ų8261.5 Ų61.557%0.57331%0.31SS*.G310 helixtrans-60.9-17.7169.654.20000113.7P153 V157 V174P153-S155 WeakPolarHBondContact CB-OG 3.43Å; P153-S155 PolarHBondContact O-N 3.34Å; S155-V157 VanDerWaalsContact C-N 3.3Å; S155-V174 WeakPolarHBondContact O-CG1 3.45Å; S155-V174 WeakPolarHBondContact O-CG2 3.21Å
156S95.4Very high93.6Very high6 Ų662.2 Ų62.24%0.04231%0.309CS..G310 helixtrans-84.8-0.6173.2-55.90000113.5V123 I124 P153 F154 Q178V123-S156 CarbonylContact C-O 3.52Å; V123-S156 WeakPolarHBondContact CA-O 3.39Å; V123-S156 WeakPolarHBondContact CG1-O 3.44Å; I124-S156 PolarHBondContact N-O 2.62Å; P153-S156 WeakPolarHBondContact O-CA 3.39Å; P153-S156 WeakPolarHBondContact O-CB 3.46Å; P153-S156 PolarHBondContact O-N 2.94Å; P153-S156 PolarHBondContact O-OG 2.93Å; F154-S156 PolarHBondContact O-N 3.47Å; F154-S156 VanDerWaalsContact O-N 3.14Å; S156-Q178 PolarHBondContact OG-NE2 2.99Å
157V97.5Very high93.7Very high22 Ų2262.1 Ų62.113%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-101.6128.3178.2-175.90000109.5I124 V126 V143 A147 F154 S155I124-V157 HydrophobicContact CB-CG2 4.34Å; I124-V157 CarbonylContact O-C 3.58Å; I124-V157 WeakPolarHBondContact O-CA 3.4Å; V126-V157 HydrophobicContact CG2-CG1 4.09Å; V143-V157 HydrophobicContact CG1-CG1 3.63Å; V143-V157 HydrophobicContact CG1-CG2 4.4Å; A147-V157 HydrophobicContact CB-CG2 4.25Å; F154-V157 HydrophobicContact CD2-CB 4.23Å; F154-V157 HydrophobicContact CD2-CG2 4.05Å; F154-V157 HydrophobicContact CE2-CB 4.28Å; F154-V157 HydrophobicContact CE2-CG1 4.41Å; F154-V157 HydrophobicContact CE2-CG2 4.42Å; F154-V157 WeakPolarHBondContact O-CB 3.38Å; F154-V157 PolarHBondContact O-N 2.76Å; S155-V157 VanDerWaalsContact C-N 3.3Å
158V97.9Very high93.7Very high9 Ų962.5 Ų62.56%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-124.9120.8179.2179.70000110.1V123 I124 V125 V126 E170 I171 V174V123-V158 HydrophobicContact CG1-CB 4.41Å; V123-V158 HydrophobicContact CG1-CG2 3.87Å; I124-V158 PolarHBondContact O-N 3.18Å; V125-V158 CarbonylContact C-O 3.59Å; V125-V158 VanDerWaalsContact CA-O 3.26Å; V125-V158 WeakPolarHBondContact CA-O 2.92Å; V126-V158 PolarHBondContact N-O 3.27Å; V158-E170 HydrophobicContact CG1-CB 3.74Å; V158-E170 HydrophobicContact CG2-CB 4.45Å; V158-I171 HydrophobicContact CB-CG1 4.18Å; V158-I171 HydrophobicContact CG1-CG1 3.87Å; V158-V174 HydrophobicContact CG2-CB 4.4Å; V158-V174 HydrophobicContact CG2-CG2 3.74Å
159T98Very high93.6Very high46 Ų4657.1 Ų57.128%0.28229%0.286SS..EExtended strand (participates in β ladder)trans-76133.2166.4-62.70000109.5Y166T159-Y166 HydrophobicContact CG2-CE1 4.37Å; T159-Y166 WeakPolarHBondContact O-CE1 3.35Å
160A97.9Very high93.7Very high0 Ų054.9 Ų54.90%027%0.272CS..  trans-140.8153.2-176.600000112.5L24 V125 V126 N127 K128 S129 Y166 M168L24-A160 HydrophobicContact CD2-CB 4.15Å; V125-A160 HydrophobicContact CG1-CB 3.66Å; V126-A160 PolarHBondContact O-N 3.3Å; N127-A160 CarbonylContact C-O 3.27Å; N127-A160 VanDerWaalsContact C-O 3.27Å; N127-A160 WeakPolarHBondContact CA-O 3.44Å; N127-A160 PolarHBondContact OD1-O 2.67Å; K128-A160 PolarHBondContact N-O 3.15Å; S129-A160 WeakPolarHBondContact CB-O 3.49Å; S129-A160 PolarHBondContact N-O 3.25Å; S129-A160 PolarHBondContact OG-O 3.06Å; S129-A160 VanDerWaalsContact OG-O 3.1Å; A160-Y166 CarbonylContact C-O 3.57Å; A160-Y166 VanDerWaalsContact CA-O 3.28Å; A160-Y166 WeakPolarHBondContact CA-O 3.41Å; A160-Y166 WeakPolarHBondContact CB-O 3.35Å; A160-M168 HydrophobicContact CB-CE 4.08Å
161S96.5Very high94Very high1 Ų152.1 Ų52.11%0.00726%0.258CS..BIsolated β-bridgetrans-127.8108.4160.3174.30000108.2S129 D130 R163 D164 N165 Y166S129-S161 PolarHBondContact OG-N 2.95Å; D130-S161 WeakPolarHBondContact CB-OG 3.5Å; D130-S161 VanDerWaalsContact CG-OG 3.3Å; D130-S161 WeakPolarHBondContact OD1-CB 3.49Å; D130-S161 PolarHBondContact OD1-OG 3.21Å; S161-R163 PolarHBondContact O-N 3.37Å; S161-R163 WeakPolarHBondContact OG-CB 3.45Å; S161-R163 PolarHBondContact OG-N 3.27Å; S161-D164 PolarHBondContact O-N 2.99Å; S161-D164 PolarHBondContact OG-N 3.39Å; S161-N165 WeakPolarHBondContact O-CA 3.25Å; S161-N165 PolarHBondContact O-N 3.43Å; S161-Y166 PolarHBondContact N-O 3.4Å; S161-Y166 PolarHBondContact O-N 2.94Å
162A94.2Very high94.2Very high0 Ų043.8 Ų43.80%022%0.222CC..THydrogen-bonded Turntrans-58.6-31167.600000111.2A23 L24 R27 W37 N127A23-A162 HydrophobicContact CB-CB 3.63Å; L24-A162 HydrophobicContact CD2-CB 3.83Å; L24-A162 HydrophobicContact CG-CB 4.12Å; R27-A162 WeakPolarHBondContact CD-O 3.44Å; R27-A162 HydrophobicContact CG-CB 4.46Å; R27-A162 WeakPolarHBondContact CG-O 3.33Å; R27-A162 PolarHBondContact NE-O 2.97Å; W37-A162 HydrophobicContact CH2-CB 3.97Å; W37-A162 HydrophobicContact CZ3-CB 4.02Å; W37-A162 VanDerWaalsContact CZ3-O 3.25Å; W37-A162 WeakPolarHBondContact CZ3-O 3.45Å; N127-A162 PolarHBondContact OD1-N 3.15Å
163R92.8Very high94.2Very high122 Ų12244.2 Ų44.246%0.4622%0.223SC..THydrogen-bonded Turntrans-63.6-52.3179-174-174.9-175.6168.81.5111.3R27 W37 D130 S161 N165R27-R163 PolarHBondContact NH2-O 2.93Å; W37-R163 HydrophobicContact CD2-CB 4.29Å; W37-R163 HydrophobicContact CD2-CG 4.02Å; W37-R163 HydrophobicContact CE3-CB 4.34Å; W37-R163 HydrophobicContact CE3-CG 4.46Å; W37-R163 HydrophobicContact CG-CG 4.4Å; W37-R163 HydrophobicContact CH2-CB 3.84Å; W37-R163 HydrophobicContact CZ2-CB 3.8Å; W37-R163 HydrophobicContact CZ2-CG 4.15Å; W37-R163 HydrophobicContact CZ3-CB 4.14Å; D130-R163 WeakPolarHBondContact OD2-CD 3.37Å; D130-R163 IonicContact OD2-NH1 3.45Å; D130-R163 PolarHBondContact OD2-NH1 3.43Å; S161-R163 PolarHBondContact O-N 3.37Å; S161-R163 WeakPolarHBondContact OG-CB 3.45Å; S161-R163 PolarHBondContact OG-N 3.27Å; R163-N165 VanDerWaalsContact C-N 3.29Å; R163-N165 PolarHBondContact O-N 3.16Å
164D92.5Very high94.2Very high107 Ų10741.2 Ų41.257%0.57220%0.203SC*.THydrogen-bonded Turntrans-90.66.3-174.3-63.5-12.7000112.9D130 S161 Y166D130-D164 WeakPolarHBondContact CB-OD2 3.4Å; S161-D164 PolarHBondContact O-N 2.99Å; S161-D164 PolarHBondContact OG-N 3.39Å; D164-Y166 PolarHBondContact O-N 2.86Å
165N91.6Very high94.2Very high45 Ų4536.5 Ų36.524%0.24118%0.183CC..THydrogen-bonded Turntrans55.636.3-175.4-172.459.8000112.6S161 R163 M168S161-N165 WeakPolarHBondContact O-CA 3.25Å; S161-N165 PolarHBondContact O-N 3.43Å; R163-N165 VanDerWaalsContact C-N 3.29Å; R163-N165 PolarHBondContact O-N 3.16Å; N165-M168 WeakPolarHBondContact OD1-CG 3.47Å
166Y94.3Very high94.1Very high136 Ų13634 Ų3453%0.53316%0.161SC..BIsolated β-bridgetrans-98.3134.9-179.5177.8-101.3000111.3T159 A160 S161 D164 M168T159-Y166 HydrophobicContact CG2-CE1 4.37Å; T159-Y166 WeakPolarHBondContact O-CE1 3.35Å; A160-Y166 CarbonylContact C-O 3.57Å; A160-Y166 VanDerWaalsContact CA-O 3.28Å; A160-Y166 WeakPolarHBondContact CA-O 3.41Å; A160-Y166 WeakPolarHBondContact CB-O 3.35Å; S161-Y166 PolarHBondContact N-O 3.4Å; S161-Y166 PolarHBondContact O-N 2.94Å; D164-Y166 PolarHBondContact O-N 2.86Å; Y166-M168 WeakPolarHBondContact O-CE 3.24Å
167G94.8Very high93.9Very high2 Ų238 Ų382%0.02118%0.179CC..SBendtrans87.8-3.4176.600000115.7I169 E170 I171G167-I169 VanDerWaalsContact C-N 3.32Å; G167-I169 PolarHBondContact O-N 3.44Å; G167-E170 VanDerWaalsContact CA-OE2 3.25Å; G167-E170 WeakPolarHBondContact CA-OE2 3.34Å; G167-E170 PolarHBondContact O-N 2.85Å; G167-I171 VanDerWaalsContact O-CG1 3.3Å; G167-I171 WeakPolarHBondContact O-CG1 3.25Å; G167-I171 PolarHBondContact O-N 3.27Å
168M92.9Very high93.7Very high10 Ų1038.3 Ų38.35%0.04918%0.179CC..Hα-helixtrans-64.6-38.2-176.1-57.7-50.710400112.3L24 R27 I28 A160 N165 Y166 L172L24-M168 HydrophobicContact CD2-CE 3.42Å; L24-M168 VanDerWaalsContact CD2-CE 3.42Å; L24-M168 HydrophobicContact CD2-SD 3.81Å; R27-M168 HydrophobicContact CB-CG 3.87Å; R27-M168 HydrophobicContact CB-SD 3.58Å; R27-M168 VanDerWaalsContact CB-SD 3.58Å; R27-M168 HydrophobicContact CG-SD 4.38Å; I28-M168 HydrophobicContact CG1-CB 4.13Å; I28-M168 HydrophobicContact CG1-CG 4.44Å; I28-M168 HydrophobicContact CG1-SD 4.1Å; A160-M168 HydrophobicContact CB-CE 4.08Å; N165-M168 WeakPolarHBondContact OD1-CG 3.47Å; Y166-M168 WeakPolarHBondContact O-CE 3.24Å; M168-L172 WeakPolarHBondContact O-CG 3.26Å
169I91.1Very high93.4Very high40 Ų4038 Ų3821%0.20518%0.177CC..Hα-helixtrans-75.3-37.2-179.9-61.5-57.7000110.1G167 L172 K173 L210 I286G167-I169 VanDerWaalsContact C-N 3.32Å; G167-I169 PolarHBondContact O-N 3.44Å; I169-L172 PolarHBondContact O-N 2.83Å; I169-L172 VanDerWaalsContact O-N 3.15Å; I169-K173 HydrophobicContact CG2-CD 4.17Å; I169-K173 HydrophobicContact CG2-CG 4.25Å; I169-K173 WeakPolarHBondContact O-CG 3.21Å; I169-K173 PolarHBondContact O-N 3.5Å; I169-L210 HydrophobicContact CD1-CD1 3.52Å; I169-L210 HydrophobicContact CD1-CD2 4.46Å; I169-L210 HydrophobicContact CG1-CD1 4.13Å; I169-I286 HydrophobicContact CG2-CG2 4.07Å
170E93.3Very high92.9Very high68 Ų6839.3 Ų39.332%0.31818%0.18SC..Hα-helixtrans-62.1-43.7177.5-69.257.7-12700110.5V158 G167 L172 K173 V174V158-E170 HydrophobicContact CG1-CB 3.74Å; V158-E170 HydrophobicContact CG2-CB 4.45Å; G167-E170 VanDerWaalsContact CA-OE2 3.25Å; G167-E170 WeakPolarHBondContact CA-OE2 3.34Å; G167-E170 PolarHBondContact O-N 2.85Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.57Å; E170-K173 PolarHBondContact O-N 3.25Å; E170-K173 IonicContact OE1-NZ 3.75Å; E170-V174 WeakPolarHBondContact O-CG2 3.36Å; E170-V174 PolarHBondContact O-N 3.41Å
171I94.8Very high92.6Very high0 Ų046.8 Ų46.80%022%0.215CC..Hα-helixtrans-53.4-47.7172.1-67.8165.7000111L24 V88 V125 V158 G167 L175L24-I171 HydrophobicContact CD2-CD1 4.42Å; V88-I171 HydrophobicContact CG1-CG2 4.42Å; V88-I171 HydrophobicContact CG2-CG2 4.22Å; V125-I171 HydrophobicContact CG1-CD1 4.01Å; V125-I171 HydrophobicContact CG2-CD1 3.78Å; V125-I171 HydrophobicContact CG2-CG1 3.75Å; V158-I171 HydrophobicContact CB-CG1 4.18Å; V158-I171 HydrophobicContact CG1-CG1 3.87Å; G167-I171 VanDerWaalsContact O-CG1 3.3Å; G167-I171 WeakPolarHBondContact O-CG1 3.25Å; G167-I171 PolarHBondContact O-N 3.27Å; I171-L175 HydrophobicContact CG2-CD1 4.22Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.14Å; I171-L175 PolarHBondContact O-N 3.04Å; I171-L175 VanDerWaalsContact O-N 3.09Å
172L92.2Very high92.2Very high12 Ų1248 Ų486%0.06323%0.225CC..Hα-helixtrans-71.6-33.7-178.4-63.3172.1000112.8I28 F53 L62 M168 I169 E170 L175 W176 I286I28-L172 HydrophobicContact CG2-CD1 4.29Å; I28-L172 HydrophobicContact CG2-CD2 4.45Å; F53-L172 HydrophobicContact CD1-CD1 3.85Å; F53-L172 HydrophobicContact CE1-CD1 3.49Å; F53-L172 VanDerWaalsContact CE1-CD1 3.49Å; F53-L172 HydrophobicContact CE2-CD2 4.36Å; F53-L172 HydrophobicContact CZ-CD1 3.92Å; F53-L172 HydrophobicContact CZ-CD2 4.18Å; L62-L172 HydrophobicContact CD1-CD2 4.49Å; M168-L172 WeakPolarHBondContact O-CG 3.26Å; I169-L172 PolarHBondContact O-N 2.83Å; I169-L172 VanDerWaalsContact O-N 3.15Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.57Å; L172-L175 HydrophobicContact CD2-CD1 4.33Å; L172-W176 WeakPolarHBondContact O-CB 3.32Å; L172-W176 PolarHBondContact O-N 2.93Å; L172-I286 HydrophobicContact CB-CD1 3.47Å; L172-I286 VanDerWaalsContact CB-CD1 3.47Å; L172-I286 HydrophobicContact CD1-CD1 3.56Å; L172-I286 HydrophobicContact CG-CD1 4.12Å
173K90.4Very high91.8Very high30 Ų3049.9 Ų49.913%0.1324%0.244CC..Hα-helixtrans-64.6-48.7174.2-76.8174.2176.5169.90111.1I169 E170 L175 W176 E177 I286I169-K173 HydrophobicContact CG2-CD 4.17Å; I169-K173 HydrophobicContact CG2-CG 4.25Å; I169-K173 WeakPolarHBondContact O-CG 3.21Å; I169-K173 PolarHBondContact O-N 3.5Å; E170-K173 PolarHBondContact O-N 3.25Å; E170-K173 IonicContact OE1-NZ 3.75Å; K173-L175 VanDerWaalsContact C-N 3.33Å; K173-L175 PolarHBondContact O-N 3.04Å; K173-W176 CarbonylContact O-C 3.55Å; K173-W176 WeakPolarHBondContact O-CA 3.46Å; K173-W176 WeakPolarHBondContact O-CB 3.35Å; K173-W176 PolarHBondContact O-N 3.45Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3.49Å; K173-I286 HydrophobicContact CG-CG2 3.87Å
174V93.5Very high91.5Very high14 Ų1453.4 Ų53.49%0.08527%0.266CS..Hα-helixtrans-62.2-42178.41750000111V123 S155 V158 E170 W176 E177 Q178V123-V174 HydrophobicContact CB-CG1 4.47Å; V123-V174 HydrophobicContact CG1-CB 4.49Å; V123-V174 HydrophobicContact CG1-CG1 4.2Å; V123-V174 HydrophobicContact CG2-CB 4.12Å; V123-V174 HydrophobicContact CG2-CG1 3.59Å; S155-V174 WeakPolarHBondContact O-CG1 3.45Å; S155-V174 WeakPolarHBondContact O-CG2 3.21Å; V158-V174 HydrophobicContact CG2-CB 4.4Å; V158-V174 HydrophobicContact CG2-CG2 3.74Å; E170-V174 WeakPolarHBondContact O-CG2 3.36Å; E170-V174 PolarHBondContact O-N 3.41Å; V174-W176 VanDerWaalsContact C-N 3.28Å; V174-W176 PolarHBondContact O-N 3.28Å; V174-E177 PolarHBondContact O-N 3.14Å; V174-Q178 WeakPolarHBondContact O-CG 3.44Å; V174-Q178 PolarHBondContact O-N 2.97Å
175L92.7Very high91.1Very high15 Ų1553 Ų538%0.07926%0.264CS..Hα-helixtrans-57.7-42.6172.6-76.9171.9000111.9V11 A86 V88 I121 V123 I171 L172 K173 N179V11-L175 HydrophobicContact CG1-CD1 4.11Å; A86-L175 HydrophobicContact CB-CD2 3.68Å; V88-L175 HydrophobicContact CG2-CD1 4.23Å; V88-L175 HydrophobicContact CG2-CD2 4.48Å; I121-L175 HydrophobicContact CG2-CD2 3.68Å; V123-L175 HydrophobicContact CG2-CD2 3.71Å; V123-L175 HydrophobicContact CG2-CG 3.82Å; I171-L175 HydrophobicContact CG2-CD1 4.22Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.14Å; I171-L175 PolarHBondContact O-N 3.04Å; I171-L175 VanDerWaalsContact O-N 3.09Å; L172-L175 HydrophobicContact CD2-CD1 4.33Å; K173-L175 VanDerWaalsContact C-N 3.33Å; K173-L175 PolarHBondContact O-N 3.04Å; L175-N179 WeakPolarHBondContact O-CB 3.41Å; L175-N179 PolarHBondContact O-N 2.83Å; L175-N179 VanDerWaalsContact O-N 3.1Å
176W91.3Very high90.8Very high30 Ų3055.8 Ų55.811%0.11427%0.271CS..Hα-helixtrans-66.9-46.7178170.8-96.1000112.3V55 K58 L172 K173 V174 N179 Q180 F189V55-W176 HydrophobicContact CB-CD2 3.87Å; V55-W176 HydrophobicContact CB-CE3 3.75Å; V55-W176 HydrophobicContact CB-CG 4.39Å; V55-W176 HydrophobicContact CB-CH2 4.3Å; V55-W176 HydrophobicContact CB-CZ2 4.45Å; V55-W176 HydrophobicContact CB-CZ3 3.97Å; V55-W176 HydrophobicContact CG1-CB 4.2Å; V55-W176 HydrophobicContact CG1-CD2 3.46Å; V55-W176 VanDerWaalsContact CG1-CD2 3.46Å; V55-W176 HydrophobicContact CG1-CE3 3.91Å; V55-W176 HydrophobicContact CG1-CG 3.57Å; V55-W176 HydrophobicContact CG1-CZ2 4.3Å; V55-W176 HydrophobicContact CG1-CZ3 4.45Å; V55-W176 HydrophobicContact CG2-CE3 4.4Å; V55-W176 WeakPolarHBondContact O-CH2 3.34Å; K58-W176 HydrophobicContact CB-CH2 4.27Å; K58-W176 HydrophobicContact CD-CH2 3.94Å; K58-W176 HydrophobicContact CG-CH2 4.22Å; L172-W176 WeakPolarHBondContact O-CB 3.32Å; L172-W176 PolarHBondContact O-N 2.93Å; K173-W176 CarbonylContact O-C 3.55Å; K173-W176 WeakPolarHBondContact O-CA 3.46Å; K173-W176 WeakPolarHBondContact O-CB 3.35Å; K173-W176 PolarHBondContact O-N 3.45Å; V174-W176 VanDerWaalsContact C-N 3.28Å; V174-W176 PolarHBondContact O-N 3.28Å; W176-N179 WeakPolarHBondContact O-CB 3.3Å; W176-N179 PolarHBondContact O-N 3.36Å; W176-Q180 HydrophobicContact CD2-CG 4.32Å; W176-Q180 HydrophobicContact CZ2-CG 4.19Å; W176-Q180 VanDerWaalsContact O-CG 3.31Å; W176-Q180 WeakPolarHBondContact O-CG 3.43Å; W176-Q180 PolarHBondContact O-N 3.37Å; W176-F189 HydrophobicContact CE3-CD2 4.23Å; W176-F189 HydrophobicContact CE3-CE2 4.02Å; W176-F189 AromaticContact CZ3-CD2 3.57Å; W176-F189 HydrophobicContact CZ3-CD2 3.57Å; W176-F189 AromaticContact CZ3-CE2 3.84Å; W176-F189 HydrophobicContact CZ3-CE2 3.84Å
177E91.3Very high90.5Very high89 Ų8950.5 Ų50.542%0.41625%0.252SS..Hα-helixtrans-60.1-49.7179.9-73.9165-173.400111.2K173 V174 N179 Q180 E181K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3.49Å; V174-E177 PolarHBondContact O-N 3.14Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.33Å; E177-Q180 WeakPolarHBondContact O-CA 3.36Å; E177-Q180 WeakPolarHBondContact O-CB 3.23Å; E177-Q180 PolarHBondContact O-N 3.38Å; E177-E181 WeakPolarHBondContact O-CG 3.31Å; E177-E181 PolarHBondContact O-N 2.95Å
178Q93Very high90.1Very high29 Ų2956.4 Ų56.414%0.13628%0.282CS..Hα-helixtrans-61.1-36.4175.3-71.5-174.83500112.4I121 T122 S156 V174 Q180 E181 A182I121-Q178 HydrophobicContact CB-CB 4.49Å; I121-Q178 HydrophobicContact CG1-CB 4.23Å; I121-Q178 HydrophobicContact CG2-CB 3.87Å; T122-Q178 PolarHBondContact O-NE2 3.13Å; T122-Q178 PolarHBondContact O-OE1 2.78Å; S156-Q178 PolarHBondContact OG-NE2 2.99Å; V174-Q178 WeakPolarHBondContact O-CG 3.44Å; V174-Q178 PolarHBondContact O-N 2.97Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.15Å; Q178-E181 PolarHBondContact O-N 3.43Å; Q178-A182 PolarHBondContact O-N 3.12Å
179N91.9Very high89.8Confident2 Ų257 Ų571%0.01129%0.285CS..Hα-helixtrans-63.1-37.7173.7-172.665.6000112I121 L175 W176 E177 E181 A182 R186 I187 F189I121-N179 HydrophobicContact CD1-CB 3.79Å; L175-N179 WeakPolarHBondContact O-CB 3.41Å; L175-N179 PolarHBondContact O-N 2.83Å; L175-N179 VanDerWaalsContact O-N 3.1Å; W176-N179 WeakPolarHBondContact O-CB 3.3Å; W176-N179 PolarHBondContact O-N 3.36Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.33Å; N179-E181 VanDerWaalsContact C-N 3.34Å; N179-A182 WeakPolarHBondContact O-CB 3.4Å; N179-A182 PolarHBondContact O-N 2.58Å; N179-R186 WeakPolarHBondContact O-CB 3.32Å; N179-I187 PolarHBondContact ND2-O 2.74Å; N179-I187 VanDerWaalsContact ND2-O 3.11Å; N179-I187 WeakPolarHBondContact OD1-CA 3.14Å; N179-I187 VanDerWaalsContact OD1-CB 3.25Å; N179-I187 WeakPolarHBondContact OD1-CB 2.94Å; N179-I187 WeakPolarHBondContact OD1-CG1 3.27Å; N179-I187 PolarHBondContact OD1-N 3.23Å; N179-F189 WeakPolarHBondContact ND2-CE2 3.47Å
180Q89.1Confident89.3Confident74 Ų7459.2 Ų59.235%0.34630%0.297SS..Hα-helixtrans-69.3-34.7177.2-67.2-68.3111.400111.8W176 E177 Q178 A182W176-Q180 HydrophobicContact CD2-CG 4.32Å; W176-Q180 HydrophobicContact CZ2-CG 4.19Å; W176-Q180 VanDerWaalsContact O-CG 3.31Å; W176-Q180 WeakPolarHBondContact O-CG 3.43Å; W176-Q180 PolarHBondContact O-N 3.37Å; E177-Q180 WeakPolarHBondContact O-CA 3.36Å; E177-Q180 WeakPolarHBondContact O-CB 3.23Å; E177-Q180 PolarHBondContact O-N 3.38Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.15Å; Q180-A182 VanDerWaalsContact C-N 3.33Å
181E89.8Confident88.8Confident157 Ų15762.3 Ų62.373%0.73432%0.315SS*.Hα-helixtrans-73-22175.2-68174.4177.900113.5E177 Q178 N179 G183E177-E181 WeakPolarHBondContact O-CG 3.31Å; E177-E181 PolarHBondContact O-N 2.95Å; Q178-E181 PolarHBondContact O-N 3.43Å; N179-E181 VanDerWaalsContact C-N 3.34Å; E181-G183 PolarHBondContact O-N 2.61Å
182A88.1Confident87.7Confident26 Ų2665.5 Ų65.522%0.21533%0.331CS..THydrogen-bonded Turntrans-65.6-5.5-179.700000114.6Q178 N179 Q180 E184 N185 R186Q178-A182 PolarHBondContact O-N 3.12Å; N179-A182 WeakPolarHBondContact O-CB 3.4Å; N179-A182 PolarHBondContact O-N 2.58Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; A182-E184 PolarHBondContact O-N 3.04Å; A182-N185 PolarHBondContact O-N 2.83Å; A182-R186 HydrophobicContact CB-CB 4.18Å
183G86.8Confident86.4Confident39 Ų3969.4 Ų69.440%0.40236%0.357SS..G310 helixtrans60-119.7173.800000112.2E181 N185 R186E181-G183 PolarHBondContact O-N 2.61Å; G183-N185 VanDerWaalsContact C-N 3.26Å; G183-N185 PolarHBondContact O-N 2.77Å; G183-R186 WeakPolarHBondContact O-CD 3.3Å; G183-R186 VanDerWaalsContact O-CG 3.24Å; G183-R186 WeakPolarHBondContact O-CG 3.46Å; G183-R186 PolarHBondContact O-N 2.79Å
184E85.8Confident84.5Confident197 Ų19773.7 Ų73.792%0.92139%0.391SS*.G310 helixtrans-68.8-22.2178.1-64.3179172.700113.4A182 R186A182-E184 PolarHBondContact O-N 3.04Å; E184-R186 VanDerWaalsContact C-N 3.31Å
185N83.6Confident82.4Confident99 Ų9981.2 Ų81.253%0.52942%0.423SS..G310 helixtrans-90.46.1-178.8-57.1-75000113.1A182 G183A182-N185 PolarHBondContact O-N 2.83Å; G183-N185 VanDerWaalsContact C-N 3.26Å; G183-N185 PolarHBondContact O-N 2.77Å
186R87.1Confident79.6Confident102 Ų10286.2 Ų86.239%0.38546%0.459SS..SBendtrans-66.1149.6-178.673-174.1177.6-165.5-6.1112.3N179 A182 G183 E184 L188N179-R186 WeakPolarHBondContact O-CB 3.32Å; A182-R186 HydrophobicContact CB-CB 4.18Å; G183-R186 WeakPolarHBondContact O-CD 3.3Å; G183-R186 VanDerWaalsContact O-CG 3.24Å; G183-R186 WeakPolarHBondContact O-CG 3.46Å; G183-R186 PolarHBondContact O-N 2.79Å; E184-R186 VanDerWaalsContact C-N 3.31Å; R186-L188 HydrophobicContact CG-CD2 4.18Å; R186-L188 PolarHBondContact O-N 2.93Å
187I86.5Confident76.9Confident25 Ų2587.8 Ų87.813%0.12849%0.485CS..PPolyproline II helixtrans-62.9124.5164.6-55.6156.2000107.9H8 A9 I121 N179 F189H8-I187 HydrophobicContact CB-CG2 4.01Å; A9-I187 HydrophobicContact CB-CD1 3.57Å; A9-I187 HydrophobicContact CB-CG1 4Å; A9-I187 HydrophobicContact CB-CG2 3.75Å; I121-I187 HydrophobicContact CD1-CD1 4.1Å; N179-I187 PolarHBondContact ND2-O 2.74Å; N179-I187 VanDerWaalsContact ND2-O 3.11Å; N179-I187 WeakPolarHBondContact OD1-CA 3.14Å; N179-I187 VanDerWaalsContact OD1-CB 3.25Å; N179-I187 WeakPolarHBondContact OD1-CB 2.94Å; N179-I187 WeakPolarHBondContact OD1-CG1 3.27Å; N179-I187 PolarHBondContact OD1-N 3.23Å; I187-F189 HydrophobicContact CB-CE1 4.34Å; I187-F189 HydrophobicContact CB-CE2 4.13Å; I187-F189 HydrophobicContact CB-CZ 3.88Å; I187-F189 HydrophobicContact CD1-CZ 4.35Å; I187-F189 HydrophobicContact CG2-CD1 4.01Å; I187-F189 HydrophobicContact CG2-CE1 3.45Å; I187-F189 VanDerWaalsContact CG2-CE1 3.45Å; I187-F189 HydrophobicContact CG2-CE2 4.09Å; I187-F189 HydrophobicContact CG2-CZ 3.5Å
188L86.6Confident74.4Confident127 Ų12793.4 Ų93.467%0.66551%0.508SS*.PPolyproline II helixtrans-84.4127.1173.5-59.6179.7000108.9H8 R186H8-L188 PolarHBondContact CD2-O 3.29Å; R186-L188 HydrophobicContact CG-CD2 4.18Å; R186-L188 PolarHBondContact O-N 2.93Å
189F86.3Confident71.6Confident23 Ų2396.3 Ų96.310%0.10154%0.537CS..  trans-115.3144.4177-61.5-64.7000109.9H8 K58 C60 L62 W176 N179 I187H8-F189 HydrophobicContact CB-CD1 3.76Å; H8-F189 HydrophobicContact CB-CE1 3.85Å; H8-F189 AromaticContact CG-CD1 3.75Å; H8-F189 AromaticContact ND1-CD1 3.99Å; K58-F189 HydrophobicContact CB-CB 3.93Å; K58-F189 HydrophobicContact CD-CB 4Å; C60-F189 HydrophobicContact CB-CD1 3.82Å; C60-F189 HydrophobicContact CB-CE1 3.87Å; C60-F189 HydrophobicContact CB-CG 4.17Å; C60-F189 HydrophobicContact CB-CZ 4.28Å; C60-F189 VanDerWaalsContact SG-CG 3.56Å; L62-F189 HydrophobicContact CD2-CE1 3.81Å; L62-F189 HydrophobicContact CD2-CZ 4.07Å; W176-F189 HydrophobicContact CE3-CD2 4.23Å; W176-F189 HydrophobicContact CE3-CE2 4.02Å; W176-F189 AromaticContact CZ3-CD2 3.57Å; W176-F189 HydrophobicContact CZ3-CD2 3.57Å; W176-F189 AromaticContact CZ3-CE2 3.84Å; W176-F189 HydrophobicContact CZ3-CE2 3.84Å; N179-F189 WeakPolarHBondContact ND2-CE2 3.47Å; I187-F189 HydrophobicContact CB-CE1 4.34Å; I187-F189 HydrophobicContact CB-CE2 4.13Å; I187-F189 HydrophobicContact CB-CZ 3.88Å; I187-F189 HydrophobicContact CD1-CZ 4.35Å; I187-F189 HydrophobicContact CG2-CD1 4.01Å; I187-F189 HydrophobicContact CG2-CE1 3.45Å; I187-F189 VanDerWaalsContact CG2-CE1 3.45Å; I187-F189 HydrophobicContact CG2-CE2 4.09Å; I187-F189 HydrophobicContact CG2-CZ 3.5Å
190D82.1Confident68.9Low85 Ų85103.6 Ų103.646%0.45558%0.576SS.*EExtended strand (participates in β ladder)trans-61.3141.5178.1-69.3-31.7000112H8 K58 L59H8-D190 IonicContact CE1-OD2 3.81Å; H8-D190 VanDerWaalsContact NE2-CG 3.35Å; H8-D190 PolarHBondContact NE2-N 2.94Å; H8-D190 IonicContact NE2-OD1 3.55Å; H8-D190 IonicContact NE2-OD2 3.65Å; H8-D190 PolarHBondContact NE2-OD2 3.16Å; K58-D190 CarbonylContact C-O 3.58Å; K58-D190 VanDerWaalsContact CA-O 3.22Å; K58-D190 WeakPolarHBondContact CA-O 3.45Å; K58-D190 WeakPolarHBondContact CB-O 3.38Å; L59-D190 HydrophobicContact CB-CB 4.47Å; L59-D190 PolarHBondContact N-O 3.26Å
191L80.9Confident66.4Low133 Ų133107.9 Ų107.970%0.69660%0.596SS**EExtended strand (participates in β ladder)trans-66.5147.2164.2-67.5175.4000109.2K58K58-L191 HydrophobicContact CG-CD2 4.37Å
192L72.9Confident64.1Low67 Ų67111.1 Ų111.135%0.35160%0.601SS.*PPolyproline II helixtrans-57.5130.7170.3-77172.2000110I54 G57 L59 S194I54-L192 HydrophobicContact CD1-CD2 3.76Å; I54-L192 HydrophobicContact CG1-CD2 3.97Å; I54-L192 HydrophobicContact CG2-CD1 3.83Å; I54-L192 HydrophobicContact CG2-CD2 4.43Å; I54-L192 HydrophobicContact CG2-CG 4.38Å; G57-L192 VanDerWaalsContact O-CG 3.29Å; G57-L192 WeakPolarHBondContact O-CG 3.38Å; G57-L192 PolarHBondContact O-N 2.75Å; L59-L192 HydrophobicContact CB-CD2 4.3Å; L192-S194 PolarHBondContact O-N 2.83Å; L192-S194 VanDerWaalsContact O-N 3.16Å
193P63.8Low62.2Low94 Ų94115.6 Ų115.661%0.6161%0.612SS**PPolyproline II helixtrans-59.7121.7178.4-20.729.9000110.6K195P193-K195 PolarHBondContact O-N 3.33Å
194S51Low60.4Low120 Ų120115.8 Ų115.884%0.83961%0.61SS**  trans-72.396.7169.863.70000108.8L192 S196L192-S194 PolarHBondContact O-N 2.83Å; L192-S194 VanDerWaalsContact O-N 3.16Å; S194-S196 PolarHBondContact O-N 3.38Å
195K49.2Very low58.6Low172 Ų172108.7 Ų108.775%0.74858%0.583SS**  trans-74.1109.8179.6-77.9-166.9176-175.90111.4P193P193-K195 PolarHBondContact O-N 3.33Å
196S35.2Very low56.6Low120 Ų120104 Ų10484%0.83956%0.557SS**  trans-75.1123.9144.856.60000109.1S194S194-S196 PolarHBondContact O-N 3.38Å
197G33.1Very low54.1Low63 Ų63103.8 Ų103.865%0.64956%0.559SS**SBendtrans107.5109.7160.800000116.2
198K39.3Very low52Low208 Ų208105 Ų10590%0.90457%0.574SS**SBendtrans80.289.9165.9-57-176.2179.9178.20116.2
199A34.3Very low50.2Low90 Ų90102.7 Ų102.774%0.74456%0.564SS**  trans52.5105.4140.400000118.1E201A199-E201 VanDerWaalsContact C-N 3.31Å; A199-E201 PolarHBondContact O-N 2.96Å
200D34.7Very low48Very low155 Ų155103.2 Ų103.283%0.82957%0.568SS**  47.434.4121.8-82.3-22.5000119.8R202D200-R202 VanDerWaalsContact C-N 3.28Å; D200-R202 PolarHBondContact O-N 2.83Å; D200-R202 VanDerWaalsContact O-N 3.15Å
201E37.2Very low46.1Very low164 Ų164105.7 Ų105.777%0.76658%0.575SS**  trans-84.483.9155.8-149.2167.7-148.500107.4A199 R203A199-E201 VanDerWaalsContact C-N 3.31Å; A199-E201 PolarHBondContact O-N 2.96Å; E201-R203 VanDerWaalsContact C-N 3.25Å; E201-R203 PolarHBondContact O-N 3.14Å
202R40.6Very low43.8Very low225 Ų225102 Ų10285%0.84957%0.568SS**  trans-54.888.7173.5-73.3-179.6-178.7168.50.2109.1D200 A204D200-R202 VanDerWaalsContact C-N 3.28Å; D200-R202 PolarHBondContact O-N 2.83Å; D200-R202 VanDerWaalsContact O-N 3.15Å; R202-A204 PolarHBondContact O-N 2.7Å
203R49.1Very low41.9Very low119 Ų119105 Ų10545%0.44959%0.585SS.*  trans-57.3103.9166.3-75.9-179.2164.3178.3-7.1107E201 S205E201-R203 VanDerWaalsContact C-N 3.25Å; E201-R203 PolarHBondContact O-N 3.14Å; R203-S205 PolarHBondContact O-N 3.35Å
204A48.4Very low40.5Very low43 Ų43106.1 Ų106.136%0.35560%0.595SS.*  trans-55.6131.6-174.500000108.6R202 A206 A208 V209 I285R202-A204 PolarHBondContact O-N 2.7Å; A204-A206 PolarHBondContact O-N 2.56Å; A204-A208 HydrophobicContact CB-CB 4.43Å; A204-V209 HydrophobicContact CB-CG2 3.79Å; A204-I285 WeakPolarHBondContact O-CD1 3.05Å
205S47.9Very low39.7Very low49 Ų49105.5 Ų105.534%0.34359%0.591SS.*  trans-54.4132.2170.980.90000107.2R203 F207 A208 V209 I285R203-S205 PolarHBondContact O-N 3.35Å; S205-F207 CarbonylContact O-C 3.54Å; S205-F207 PolarHBondContact O-N 2.75Å; S205-A208 VanDerWaalsContact O-CA 3.27Å; S205-A208 WeakPolarHBondContact O-CA 3.15Å; S205-A208 VanDerWaalsContact O-CB 3.22Å; S205-A208 WeakPolarHBondContact O-CB 3.22Å; S205-A208 PolarHBondContact O-N 2.86Å; S205-V209 PolarHBondContact O-N 3.44Å; S205-I285 VanDerWaalsContact CA-CD1 3.45Å
206A41.8Very low38.7Very low0 Ų0102.6 Ų102.60%059%0.592CS.*Hα-helixtrans-72.33-178.500000114.1A204 V209 L210 I285A204-A206 PolarHBondContact O-N 2.56Å; A206-V209 HydrophobicContact CB-CB 4Å; A206-V209 HydrophobicContact CB-CG2 4.32Å; A206-V209 PolarHBondContact O-N 3.45Å; A206-L210 HydrophobicContact CB-CD1 4.34Å; A206-L210 HydrophobicContact CB-CG 4.44Å; A206-L210 WeakPolarHBondContact O-CB 3.13Å; A206-L210 WeakPolarHBondContact O-CD1 3.49Å; A206-L210 WeakPolarHBondContact O-CG 3.33Å; A206-L210 PolarHBondContact O-N 3.38Å; A206-I285 HydrophobicContact CB-CB 3.64Å; A206-I285 HydrophobicContact CB-CG1 4.36Å; A206-I285 WeakPolarHBondContact CB-O 3.47Å
207F35.7Very low38.3Very low97 Ų97107 Ų10743%0.42560%0.596SS.*Hα-helixtrans-60-47.4151.8-166.1-88.9000111.5S205 V209 F211 K287S205-F207 CarbonylContact O-C 3.54Å; S205-F207 PolarHBondContact O-N 2.75Å; F207-V209 VanDerWaalsContact C-N 3.34Å; F207-V209 PolarHBondContact O-N 3.42Å; F207-F211 HydrophobicContact CD1-CD2 4.35Å; F207-F211 AromaticContact CD2-CD2 3.59Å; F207-F211 HydrophobicContact CD2-CD2 3.59Å; F207-F211 AromaticContact CD2-CE2 3.82Å; F207-F211 HydrophobicContact CD2-CE2 3.82Å; F207-F211 HydrophobicContact CE1-CD2 4.44Å; F207-F211 AromaticContact CE2-CD2 3.7Å; F207-F211 HydrophobicContact CE2-CD2 3.7Å; F207-F211 AromaticContact CE2-CE2 3.93Å; F207-F211 HydrophobicContact CE2-CE2 3.93Å; F207-F211 AromaticContact CG-CD2 3.94Å; F207-F211 HydrophobicContact CG-CD2 3.94Å; F207-F211 HydrophobicContact CZ-CD2 4.14Å; F207-F211 WeakPolarHBondContact O-CA 3.11Å; F207-F211 VanDerWaalsContact O-CB 3.29Å; F207-F211 WeakPolarHBondContact O-CB 3.01Å; F207-F211 WeakPolarHBondContact O-CD2 3.39Å; F207-F211 PolarHBondContact O-N 3.33Å; F207-K287 HydrophobicContact CB-CD 4.31Å; F207-K287 HydrophobicContact CD2-CD 4.44Å
208A42.4Very low38Very low52 Ų52107.8 Ų107.843%0.4361%0.605SS.*Hα-helixtrans-69.5-25.117300000113.9A204 S205 G212A204-A208 HydrophobicContact CB-CB 4.43Å; S205-A208 VanDerWaalsContact O-CA 3.27Å; S205-A208 WeakPolarHBondContact O-CA 3.15Å; S205-A208 VanDerWaalsContact O-CB 3.22Å; S205-A208 WeakPolarHBondContact O-CB 3.22Å; S205-A208 PolarHBondContact O-N 2.86Å; A208-G212 WeakPolarHBondContact O-CA 3.37Å; A208-G212 PolarHBondContact O-N 3.12Å; A208-G212 VanDerWaalsContact O-N 3.15Å
209V48.7Very low37.4Very low77 Ų77104.1 Ų104.147%0.46760%0.599SS.*Hα-helixtrans-82.9-35.4176-176.30000112.1A204 S205 A206 F207A204-V209 HydrophobicContact CB-CG2 3.79Å; S205-V209 PolarHBondContact O-N 3.44Å; A206-V209 HydrophobicContact CB-CB 4Å; A206-V209 HydrophobicContact CB-CG2 4.32Å; A206-V209 PolarHBondContact O-N 3.45Å; F207-V209 VanDerWaalsContact C-N 3.34Å; F207-V209 PolarHBondContact O-N 3.42Å
210L39.8Very low37Very low34 Ų34106.2 Ų106.218%0.17860%0.603CS.*Hα-helixtrans-88.1-33.5-178.1-66165.6000112.8S32 I169 A206S32-L210 PolarHBondContact OG-O 3.15Å; I169-L210 HydrophobicContact CD1-CD1 3.52Å; I169-L210 HydrophobicContact CD1-CD2 4.46Å; I169-L210 HydrophobicContact CG1-CD1 4.13Å; A206-L210 HydrophobicContact CB-CD1 4.34Å; A206-L210 HydrophobicContact CB-CG 4.44Å; A206-L210 WeakPolarHBondContact O-CB 3.13Å; A206-L210 WeakPolarHBondContact O-CD1 3.49Å; A206-L210 WeakPolarHBondContact O-CG 3.33Å; A206-L210 PolarHBondContact O-N 3.38Å
211F43.4Very low36.7Very low138 Ų138103.5 Ų103.561%0.60559%0.592SS**SBendtrans-113.7-2.4-176.6-54.3-74.4000113.8F207 N213F207-F211 HydrophobicContact CD1-CD2 4.35Å; F207-F211 AromaticContact CD2-CD2 3.59Å; F207-F211 HydrophobicContact CD2-CD2 3.59Å; F207-F211 AromaticContact CD2-CE2 3.82Å; F207-F211 HydrophobicContact CD2-CE2 3.82Å; F207-F211 HydrophobicContact CE1-CD2 4.44Å; F207-F211 AromaticContact CE2-CD2 3.7Å; F207-F211 HydrophobicContact CE2-CD2 3.7Å; F207-F211 AromaticContact CE2-CE2 3.93Å; F207-F211 HydrophobicContact CE2-CE2 3.93Å; F207-F211 AromaticContact CG-CD2 3.94Å; F207-F211 HydrophobicContact CG-CD2 3.94Å; F207-F211 HydrophobicContact CZ-CD2 4.14Å; F207-F211 WeakPolarHBondContact O-CA 3.11Å; F207-F211 VanDerWaalsContact O-CB 3.29Å; F207-F211 WeakPolarHBondContact O-CB 3.01Å; F207-F211 WeakPolarHBondContact O-CD2 3.39Å; F207-F211 PolarHBondContact O-N 3.33Å; F211-N213 VanDerWaalsContact C-N 3.28Å; F211-N213 PolarHBondContact O-N 3.18Å
212G32Very low36.2Very low54 Ų54104 Ų10456%0.55760%0.599SS**  trans-82.268.9175.600000112.2A208A208-G212 WeakPolarHBondContact O-CA 3.37Å; A208-G212 PolarHBondContact O-N 3.12Å; A208-G212 VanDerWaalsContact O-N 3.15Å
213N31.6Very low35.6Very low130 Ų130101 Ų10170%0.69559%0.594SS**  trans-112.294167.8-128.721.8000108.2F211F211-N213 VanDerWaalsContact C-N 3.28Å; F211-N213 PolarHBondContact O-N 3.18Å
214S34.9Very low34.6Very low119 Ų119102.6 Ų102.683%0.83262%0.617SS**  trans-163.8117.6151.8-82.20000109
215S33.8Very low33.8Very low106 Ų106103.9 Ų103.974%0.74164%0.635SS**  trans-21.8135.2160.5-52.40000113.9K217S215-K217 PolarHBondContact O-N 3.09Å
216S29.6Very low33Very low112 Ų112111.9 Ų111.978%0.78366%0.659SS**SBendtrans16.2106.4131.6-40.40000115.3
217K26.6Very low32.6Very low211 Ų211118 Ų11892%0.91769%0.692SS**  trans88.2110.5164.1-51.9178.1179.6-179.50116.2S215S215-K217 PolarHBondContact O-N 3.09Å
218G27.2Very low32.6Very low80 Ų80122.1 Ų122.183%0.82571%0.713SS**  trans134.492157.800000113.8
219V25.9Very low31.9Very low131 Ų131131 Ų13179%0.79474%0.735SS**  trans-70.3137.9170.5170.80000109.7V221V219-V221 HydrophobicContact CG1-CG2 4Å
220T26.6Very low31.2Very low134 Ų134132.1 Ų132.182%0.82274%0.744SS**  trans-144.3122148.2-62.20000108.8
221V27.6Very low30.8Very low99 Ų99140.4 Ų140.460%0.677%0.773SS**  trans-100.9134.6178.5172.80000107.9V219 H223V219-V221 HydrophobicContact CG1-CG2 4Å; V221-H223 WeakPolarHBondContact CG1-ND1 3.33Å
222L26.1Very low30.6Very low173 Ų173141.5 Ų141.591%0.90678%0.779SS**  trans-120.6119.7163.4-81.4166.7000109.6
223H28.3Very low30.8Very low163 Ų163143 Ų14376%0.75578%0.781SS**  trans-84.5145.8177.4-85.431.4000111.4V221V221-H223 WeakPolarHBondContact CG1-ND1 3.33Å
224T29.4Very low30.9Very low152 Ų152144.3 Ų144.393%0.93379%0.788SS**  trans-119.385.2152560000108.2
225G31.6Very low30.8Very low71 Ų71142.5 Ų142.573%0.73278%0.781SS**  trans-99.9119.9173.100000110.4
226Y29.7Very low30.7Very low216 Ų216145.1 Ų145.185%0.84778%0.781SS**  trans-93.8138.4163.9-140.6-95.6000108.1
227N33.2Very low30.8Very low129 Ų129147.5 Ų147.569%0.6978%0.78SS**  trans93.4117.7164.7-76.1-19.9000121.6
228Q35.9Very low31Very low183 Ų183141.7 Ų141.786%0.85577%0.766SS**  trans96.392.8147.7-64.4178.231.200119.1
229R28.8Very low31.2Very low240 Ų240144.4 Ų144.491%0.90676%0.761SS**  trans-48173.2153.3-92.9-175.8-171.5-166.82.9113.9
230P34.4Very low31.6Very low99 Ų99144.5 Ų144.564%0.64376%0.757SS**  cis-144.5179.4-11.734.9-13.7000116.7
231R31Very low31.7Very low209 Ų209146.6 Ų146.679%0.78976%0.76SS**  118.5126.5126-100.3178.7-143.7-143.110.4119.4
232H37.8Very low31.8Very low161 Ų161145.5 Ų145.575%0.74576%0.762SS**  trans71.5137.5157-63.3-68.1000117.7
233S36.6Very low32Very low86 Ų86145 Ų14560%0.60176%0.759SS**  cis-173.5151.33.541.80000109.2
234D33.8Very low32Very low157 Ų157143.4 Ų143.484%0.8476%0.756SS**  trans63142.7151.2-50.1-23000119.4
235A33.3Very low32Very low81 Ų81141 Ų14167%0.66974%0.741SS**  cis-171.5158.8-2.200000110.2
236Q32.4Very low31.9Very low160 Ų160144.5 Ų144.575%0.74874%0.743SS**  trans68.7114.7148.4-75.1-175.6-62.300121.9
237E30.2Very low32.1Very low162 Ų162140.8 Ų140.876%0.75774%0.743SS**  75.9140.495.7-81.1-178.9143.700113.7
238S31.4Very low31.9Very low89 Ų89143.8 Ų143.862%0.62275%0.75SS**  cis-175.8159.52.652.10000109.7
239N31.2Very low31.6Very low138 Ų138145.3 Ų145.374%0.73875%0.754SS**  trans66.5123.1141.2-65.2-19.6000125.1
240N34.3Very low31.5Very low132 Ų132142 Ų14271%0.70675%0.749SS**  151.9115.1116.9-78-31.2000112.4
241M29Very low31.3Very low178 Ų178143 Ų14388%0.87775%0.749SS**  5814596.8-69.8-169.4-149.200115.5
242A29Very low31.4Very low77 Ų77140.3 Ų140.364%0.63675%0.745SS**  cis175.5170.3-19.900000106.4
243L30.5Very low30.9Very low163 Ų163139.5 Ų139.585%0.85375%0.747SS**  trans84.3148.1157.4-58.6164.9000119.2
244D27.8Very low30.8Very low128 Ų128140.4 Ų140.468%0.68475%0.753SS**  cis-172155.7-21.5-152.11.8000110.9
245T31Very low30.6Very low101 Ų101141.4 Ų141.462%0.6276%0.757SS**  trans42133.6150.4570000129
246N28.8Very low30.3Very low146 Ų146141.2 Ų141.278%0.78176%0.763SS**  trans59.2134.9130.5-73.5-29.5000123.9
247T33.7Very low30.1Very low138 Ų138141.8 Ų141.885%0.84777%0.769SS**  172.2146.592.7-43.40000112.4
248K28.3Very low30.2Very low192 Ų192138.8 Ų138.884%0.83577%0.772SS**  trans-70.9159.4179.8-66.6172.9173.3175.80115
249F30.8Very low29.8Very low214 Ų214142.9 Ų142.994%0.93978%0.779SS**  trans-160.4145134.8-114.3-80.7000113.1
250Q26.6Very low29.8Very low171 Ų171144.3 Ų144.380%0.79979%0.785SS**  trans-89.6167.5-175.8-68.1177.4-39.900113.7
251N30.4Very low29.4Very low120 Ų120147.9 Ų147.964%0.64279%0.789SS**  123.4120.9129.9-104.619.9000120.5
252E32.3Very low29.5Very low153 Ų153149.2 Ų149.272%0.71579%0.79SS**  trans75.6114.6131.1-72.9174.8-163.400124.5
253N28Very low29.5Very low144 Ų144152.7 Ų152.777%0.7780%0.796SS**  49.1122.1123.2-67.2-16.2000122.3
254S34.1Very low29.5Very low104 Ų104148.2 Ų148.273%0.72779%0.789SS**  141.4131.410666.10000116
255L28.8Very low29.7Very low179 Ų179153.1 Ų153.194%0.93780%0.798SS**  trans56.9130.9137.5-62164.9000121.6
256G28.7Very low29.5Very low77 Ų77156.2 Ų156.279%0.79481%0.81SS**  trans152.684.2146.400000119.2
257I27.7Very low29.6Very low171 Ų171154.3 Ų154.388%0.87781%0.808SS**  trans-5.9134.4146.4-60.8179.8000118.3
258A32Very low29.4Very low99 Ų99155.9 Ų155.982%0.81881%0.81SS**  172.4132.6115.700000115.1
259F23.4Very low29.4Very low175 Ų175150.9 Ų150.977%0.76881%0.813SS**  trans-93.8143.3174.1-170.1-94.8000109.6R261F259-R261 HydrophobicContact CE1-CB 4.46Å
260I31.4Very low29.6Very low168 Ų168144.6 Ų144.686%0.86281%0.808SS**  trans-158.8131.8150.3-95.7148.5000110.5
261R25.8Very low29.8Very low207 Ų207145.1 Ų145.178%0.78181%0.81SS**  trans-98.9138.6176.5-159.7-175.3-152167.35.2108F259F259-R261 HydrophobicContact CE1-CB 4.46Å
262K30Very low29.9Very low206 Ų206150.2 Ų150.290%0.89682%0.821SS**  trans-146.2123.9161.2-159.7167.5-175.9177.40113.1
263I29.4Very low29.9Very low151 Ų151148.7 Ų148.777%0.77483%0.827SS**  trans-88.6146.1171.6-68.8174.7000109.2
264G31.6Very low30Very low68 Ų68149.2 Ų149.270%0.70183%0.83SS**  trans-175.9101.1160.400000110.4
265R30.7Very low30Very low231 Ų231154 Ų15487%0.87284%0.837SS**  74104.394.7-88.2-168.1179.2172.41.2116.4
266L27.9Very low30.2Very low166 Ų166157 Ų15787%0.86984%0.836SS**  45.8124.7128.9-63.2163.4000120.9
267S30.1Very low30.3Very low106 Ų106160.2 Ų160.274%0.74184%0.835SS**  -178.2122.3113.2-169.70000113.7
268L30.3Very low30.6Very low172 Ų172161 Ų16190%0.90183%0.832SS**  trans31.7126.4139-58166.5000122.5
269G28.5Very low30.7Very low86 Ų86161.4 Ų161.489%0.88783%0.825SS**  trans118.9121.1136.400000115.8
270G33.1Very low31.6Very low82 Ų82163 Ų16385%0.84583%0.826SS**  trans145.7117.5161.400000115.2
271H32.7Very low32.5Very low182 Ų182162.7 Ų162.784%0.84381%0.814SS**  trans-65.3156.9-175.7-93.425.6000116.6
272R30.6Very low33.6Very low228 Ų228157.2 Ų157.286%0.8680%0.797SS**  trans83.6111.3142-87.5176.6171.3-177.6-2.8120.8
273S32.4Very low34.4Very low120 Ų120148.1 Ų148.184%0.83976%0.759SS**  122.2134121.2101.20000116.5
274N30.3Very low35.7Very low156 Ų156141.7 Ų141.783%0.83473%0.727SS**  trans-65.3140.5-172.7-71.2-43.3000113.7
275K34.8Very low36.7Very low204 Ų204140.1 Ų140.189%0.88770%0.703SS**  -170.5113.3126.3-107.8171.5-178.9-179.10110.4D277K275-D277 PolarHBondContact O-N 3.21Å
276R32.7Very low37.7Very low241 Ų241129.3 Ų129.391%0.90966%0.662SS**  trans-71.7113163.2-79178.7176171.3-2.5107.4K278R276-K278 PolarHBondContact O-N 2.97Å
277D31Very low38.6Very low146 Ų146125.8 Ų125.878%0.78164%0.64SS**  trans-80.592.6173.3-146.5-2.6000108.8K275 T279K275-D277 PolarHBondContact O-N 3.21Å; D277-T279 PolarHBondContact O-N 3.49Å
278K33.9Very low39.2Very low186 Ų186123.1 Ų123.181%0.80962%0.62SS**  trans-83.389.7166.9-82.2-172.1174.9-1740107.2R276 R280R276-K278 PolarHBondContact O-N 2.97Å; K278-R280 PolarHBondContact O-N 2.62Å
279T35Very low39.7Very low108 Ų108121.7 Ų121.766%0.66361%0.613SS**  trans-68.8101.7169.741.50000109.2D277 R281D277-T279 PolarHBondContact O-N 3.49Å; T279-R281 PolarHBondContact O-N 2.75Å; T279-R281 VanDerWaalsContact O-N 3.14Å
280R41.3Very low40Very low208 Ų208120.1 Ų120.179%0.78559%0.588SS**  trans-69.8102.2175.2-165-179.2-171.3-172.66.3108.2K278K278-R280 PolarHBondContact O-N 2.62Å
281R50Low39.7Very low162 Ų162123.9 Ų123.961%0.61159%0.589SS**PPolyproline II helixtrans-74.2136.6175.8-70-173.8177.6-165.1-2.8110.1T279T279-R281 PolarHBondContact O-N 2.75Å; T279-R281 VanDerWaalsContact O-N 3.14Å
282E48.6Very low39.4Very low92 Ų92121.5 Ų121.543%0.4359%0.586SS.*PPolyproline II helixtrans-65.5148.9177.6-65.3-158.713500112.5
283P47.6Very low39.2Very low16 Ų16119.2 Ų119.210%0.10461%0.605CS.*PPolyproline II helixtrans-66.8142.5178.427.4-35.6000112.5E52 I54 L59E52-P283 HydrophobicContact CB-CB 3.71Å; E52-P283 WeakPolarHBondContact O-CA 3.01Å; I54-P283 HydrophobicContact CD1-CB 4.1Å; I54-P283 HydrophobicContact CD1-CG 3.68Å; I54-P283 HydrophobicContact CG1-CB 4.08Å; I54-P283 HydrophobicContact CG1-CG 4.18Å; L59-P283 HydrophobicContact CD1-CB 4.02Å; L59-P283 HydrophobicContact CD1-CG 4.29Å
284S55.8Low39.6Very low15 Ų15119.2 Ų119.211%0.10559%0.594CS.*EExtended strand (participates in β ladder)trans-85116.5177.9-65.80000111.3R51 E52 F53 I54R51-S284 PolarHBondContact NH2-OG 2.74Å; E52-S284 PolarHBondContact O-N 3.2Å; F53-S284 CarbonylContact C-O 3.57Å; F53-S284 WeakPolarHBondContact CA-O 3.31Å; F53-S284 WeakPolarHBondContact CB-O 3.35Å; I54-S284 PolarHBondContact N-O 3.23Å
285I52.5Low40Very low35 Ų35117.2 Ų117.218%0.17958%0.581CS.*EExtended strand (participates in β ladder)trans-74.5135.5173.8-56.8151.2000113.3I54 A204 S205 A206I54-I285 HydrophobicContact CB-CB 4.13Å; I54-I285 HydrophobicContact CB-CG1 3.56Å; I54-I285 HydrophobicContact CB-CG2 4.4Å; I54-I285 HydrophobicContact CD1-CD1 4.24Å; I54-I285 HydrophobicContact CD1-CG1 3.66Å; I54-I285 HydrophobicContact CG1-CG1 4.12Å; I54-I285 HydrophobicContact CG2-CB 4.5Å; I54-I285 HydrophobicContact CG2-CG1 3.92Å; I54-I285 HydrophobicContact CG2-CG2 4.28Å; I54-I285 CarbonylContact O-C 3.39Å; I54-I285 VanDerWaalsContact O-CA 3.27Å; I54-I285 WeakPolarHBondContact O-CA 3.25Å; A204-I285 WeakPolarHBondContact O-CD1 3.05Å; S205-I285 VanDerWaalsContact CA-CD1 3.45Å; A206-I285 HydrophobicContact CB-CB 3.64Å; A206-I285 HydrophobicContact CB-CG1 4.36Å; A206-I285 WeakPolarHBondContact CB-O 3.47Å
286I52.6Low40.3Very low4 Ų4112.4 Ų112.42%0.02156%0.564CS.*EExtended strand (participates in β ladder)trans-117.2116.6174.3-52.2179.4000105.8F53 I54 V55 I169 L172 K173 P288F53-I286 HydrophobicContact CB-CD1 4.21Å; F53-I286 HydrophobicContact CD1-CD1 4.14Å; F53-I286 HydrophobicContact CG-CD1 4.36Å; I54-I286 PolarHBondContact O-N 3.41Å; V55-I286 HydrophobicContact CB-CB 4.42Å; V55-I286 HydrophobicContact CG1-CB 4.13Å; V55-I286 HydrophobicContact CG1-CG2 4.34Å; V55-I286 HydrophobicContact CG2-CB 3.83Å; V55-I286 HydrophobicContact CG2-CD1 3.8Å; V55-I286 HydrophobicContact CG2-CG1 4.04Å; I169-I286 HydrophobicContact CG2-CG2 4.07Å; L172-I286 HydrophobicContact CB-CD1 3.47Å; L172-I286 VanDerWaalsContact CB-CD1 3.47Å; L172-I286 HydrophobicContact CD1-CD1 3.56Å; L172-I286 HydrophobicContact CG-CD1 4.12Å; K173-I286 HydrophobicContact CG-CG2 3.87Å; I286-P288 WeakPolarHBondContact O-CD 3.2Å
287K46.2Very low40.8Very low93 Ų93104.8 Ų104.840%0.40454%0.544SS..  trans-81.4120.4173-68.6-176178.4178.20107.7F207 D289F207-K287 HydrophobicContact CB-CD 4.31Å; F207-K287 HydrophobicContact CD2-CD 4.44Å; K287-D289 VanDerWaalsContact C-N 3.27Å; K287-D289 PolarHBondContact O-N 3.39Å
288P42.5Very low41.4Very low49 Ų49102.3 Ų102.332%0.31853%0.529SS..THydrogen-bonded Turntrans-65.5-31.9178.923.3-30000112I286 C290I286-P288 WeakPolarHBondContact O-CD 3.2Å; P288-C290 PolarHBondContact O-N 3.14Å
289D40.7Very low41.9Very low143 Ų14396.7 Ų96.777%0.76551%0.51SS*.THydrogen-bonded Turntrans-99.635.8-167.8-49.8-29.9000114.7K287 N291K287-D289 VanDerWaalsContact C-N 3.27Å; K287-D289 PolarHBondContact O-N 3.39Å; D289-N291 VanDerWaalsContact C-N 3.33Å; D289-N291 PolarHBondContact O-N 3.29Å; D289-N291 VanDerWaalsContact O-N 3.14Å
290C35.6Very low42.4Very low52 Ų5295.9 Ų95.935%0.35150%0.499SS..  trans-84.982.2169.5-72.80000109.2P288 V292P288-C290 PolarHBondContact O-N 3.14Å; C290-V292 PolarHBondContact O-N 2.95Å; C290-V292 VanDerWaalsContact O-N 3.16Å
291N27.9Very low42.5Very low162 Ų16287.2 Ų87.287%0.86648%0.478SS*.  trans-56.4115.5162.3-81.4-13.6000108.1D289 S293D289-N291 VanDerWaalsContact C-N 3.33Å; D289-N291 PolarHBondContact O-N 3.29Å; D289-N291 VanDerWaalsContact O-N 3.14Å; N291-S293 PolarHBondContact O-N 2.7Å
292V26.1Very low41.9Very low131 Ų13181 Ų8179%0.79447%0.466SS*.  trans-76.2108.5162.1-176.40000105C290C290-V292 PolarHBondContact O-N 2.95Å; C290-V292 VanDerWaalsContact O-N 3.16Å
293S26.3Very low41.2Very low180 Ų18080 Ų80100%1.25947%0.47SS*.  trans-68.90161.456.40000110.2N291N291-S293 PolarHBondContact O-N 2.7Å

Retrieved 293 of 293 residues in 50.9 ms (Link to these results)

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