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Double-strand break repair protein

Core component of the MRN complex, which plays a central role in double-strand break (DSB) repair, DNA recombination, maintenance of telomere integrity and meiosis. The MRN complex is involved in the repair of DNA double-strand breaks (DSBs) via homologous recombination (HR), an error-free mechanism which primarily occurs during S and G2 phases. The complex (1) mediates the end resection of damaged DNA, which generates proper single-stranded DNA, a key initial steps in HR, and is (2) required for the recruitment of other repair factors and efficient activation of ATM and ATR upon DNA damage. Within the MRN complex, MRE11 possesses both single-strand endonuclease activity and double-strand-specific 3'-5' exonuclease activity. MRE11 first endonucleolytically cleaves the 5' strand at DNA DSB ends to prevent non-homologous end joining (NHEJ) and licence HR. It then generates a single-stranded DNA gap via 3' to 5' exonucleolytic degradation, which is required for single-strand invasion and recombination.

AlphaFold DB , UniProt , Accession G4V6Q2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 774 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
1M32.3Very low60.4Low225 Ų22585.7 Ų85.7100%1.10852%0.517SS*.  094.20-62.8-62.2-178.300107.8
2P32.4Very low63.4Low117 Ų11782.9 Ų82.976%0.7649%0.491SS*.  trans-72.8138.6171.231.1-28.2000108.7V4P2-V4 WeakPolarHBondContact O-CG2 3.34Å; P2-V4 PolarHBondContact O-N 3.24Å
3N28.3Very low66Low132 Ų13276.8 Ų76.871%0.70645%0.454SS*.  trans-29.2108.6-177.4-89-15.4000115D760N3-D760 PolarHBondContact ND2-OD2 2.85Å; N3-D760 VanDerWaalsContact ND2-OD2 3.08Å
4V41.4Very low68.3Low101 Ų10171.3 Ų71.361%0.61242%0.422SS*.  trans-88.9-10.7179.5179.60000112.7P2 G6P2-V4 WeakPolarHBondContact O-CG2 3.34Å; P2-V4 PolarHBondContact O-N 3.24Å; V4-G6 PolarHBondContact O-N 2.65Å
5G37.3Very low70.3Confident74 Ų7466.6 Ų66.676%0.76339%0.394SS*.THydrogen-bonded Turntrans-74.9-11.7-168.900000117.8
6G52Low72Confident52 Ų5262.6 Ų62.654%0.53637%0.371SS..THydrogen-bonded Turntrans-95.2-18.6-176.500000115.7V4V4-G6 PolarHBondContact O-N 2.65Å
7N72.1Confident73.5Confident60 Ų6058.9 Ų58.932%0.32135%0.349SS..SBendtrans-100.4-7.8-164.4-83.2-12.6000115.3N9 V10N7-N9 VanDerWaalsContact C-N 3.25Å; N7-N9 PolarHBondContact O-N 3.25Å; N7-V10 PolarHBondContact O-N 2.96Å
8E85.5Confident74.9Confident131 Ų13155.7 Ų55.761%0.61233%0.33SS*.THydrogen-bonded Turntrans-64.9-30.4-174.2-65.7-175.1171.300113K169E8-K169 WeakPolarHBondContact O-CG 3.22Å
9N92.2Very high76.1Confident47 Ų4752.7 Ų52.725%0.25131%0.312SS..THydrogen-bonded Turntrans-101.20.7179.2-65-50.8000113.4N7 G170 N171 T172N7-N9 VanDerWaalsContact C-N 3.25Å; N7-N9 PolarHBondContact O-N 3.25Å; N9-G170 WeakPolarHBondContact OD1-CA 3.28Å; N9-N171 PolarHBondContact OD1-N 3.36Å; N9-T172 WeakPolarHBondContact O-CB 3.4Å; N9-T172 PolarHBondContact O-OG1 3.46Å
10V94.7Very high77.2Confident2 Ų250.2 Ų50.21%0.01230%0.297CS..  trans-102.2117.6-176.5-177.30000109.2N7 R12 K169 E286 I287 R288 L762 F764N7-V10 PolarHBondContact O-N 2.96Å; V10-R12 HydrophobicContact CG1-CG 4.4Å; V10-K169 WeakPolarHBondContact O-CD 3.39Å; V10-K169 WeakPolarHBondContact O-CE 3.19Å; V10-K169 PolarHBondContact O-NZ 3.14Å; V10-E286 HydrophobicContact CG1-CB 3.89Å; V10-I287 WeakPolarHBondContact CA-O 3.49Å; V10-R288 HydrophobicContact CG2-CB 4.35Å; V10-L762 HydrophobicContact CG2-CD1 4.25Å; V10-F764 HydrophobicContact CG1-CZ 4.32Å; V10-F764 HydrophobicContact CG2-CZ 4.12Å
11L95.7Very high78.1Confident2 Ų247.9 Ų47.91%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-88.2115.7175.4-169.569.4000109.3V13 D51 F52 F89 K169 V174 E286 I287L11-V13 HydrophobicContact CD2-CG2 4.4Å; L11-V13 HydrophobicContact CG-CG2 4.15Å; L11-D51 WeakPolarHBondContact CA-OD2 3.45Å; L11-D51 HydrophobicContact CD1-CB 3.92Å; L11-F52 HydrophobicContact CD1-CD1 4.35Å; L11-F52 HydrophobicContact CD1-CE1 4.02Å; L11-F52 HydrophobicContact CD2-CE1 3.82Å; L11-F52 HydrophobicContact CD2-CZ 4.42Å; L11-F52 HydrophobicContact CG-CE1 3.98Å; L11-F89 HydrophobicContact CD1-CB 4.19Å; L11-F89 HydrophobicContact CD1-CD1 4.29Å; L11-F89 HydrophobicContact CD1-CG 4.38Å; L11-K169 HydrophobicContact CB-CD 4.4Å; L11-K169 HydrophobicContact CD1-CB 3.95Å; L11-K169 HydrophobicContact CD1-CD 3.82Å; L11-V174 HydrophobicContact CD2-CB 4.11Å; L11-V174 HydrophobicContact CD2-CG2 3.59Å; L11-E286 CarbonylContact O-C 3.59Å; L11-E286 WeakPolarHBondContact O-CA 3.35Å; L11-I287 HydrophobicContact CB-CB 4.4Å; L11-I287 PolarHBondContact N-O 3Å; L11-I287 PolarHBondContact O-N 2.82Å
12R96.9Very high81.1Confident52 Ų5237.5 Ų37.520%0.19623%0.234CC..EExtended strand (participates in β ladder)trans-100.3116.7-179.4-67.1-174.1151.6-175.3-2.7110.2V10 H48 V50 D51 L285 E286V10-R12 HydrophobicContact CG1-CG 4.4Å; R12-H48 PolarHBondContact NH1-O 3.27Å; R12-V50 HydrophobicContact CB-CB 4.47Å; R12-D51 PolarHBondContact N-OD2 2.68Å; R12-D51 WeakPolarHBondContact O-CB 3.45Å; R12-D51 PolarHBondContact O-N 3.44Å; R12-L285 CarbonylContact C-O 3.6Å; R12-L285 WeakPolarHBondContact CA-O 3.4Å; R12-E286 HydrophobicContact CG-CG 4.23Å; R12-E286 IonicContact CZ-OE1 3.58Å; R12-E286 IonicContact NE-OE1 2.62Å; R12-E286 PolarHBondContact NE-OE1 3.44Å; R12-E286 IonicContact NH2-OE1 2.77Å; R12-E286 PolarHBondContact NH2-OE1 3.28Å
13V97.6Very high84.1Confident3 Ų333.8 Ų33.82%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-121124.2-176.6-174.40000109.1L11 V15 F52 L54 L285L11-V13 HydrophobicContact CD2-CG2 4.4Å; L11-V13 HydrophobicContact CG-CG2 4.15Å; V13-V15 HydrophobicContact CG1-CG2 3.98Å; V13-F52 WeakPolarHBondContact CA-O 3.27Å; V13-F52 HydrophobicContact CB-CE2 4.19Å; V13-F52 HydrophobicContact CB-CZ 4.19Å; V13-F52 HydrophobicContact CG1-CD2 3.8Å; V13-F52 HydrophobicContact CG1-CE2 3.36Å; V13-F52 HydrophobicContact CG1-CZ 3.82Å; V13-F52 HydrophobicContact CG2-CD1 4.16Å; V13-F52 HydrophobicContact CG2-CD2 4.39Å; V13-F52 HydrophobicContact CG2-CE1 3.51Å; V13-F52 HydrophobicContact CG2-CE2 3.78Å; V13-F52 HydrophobicContact CG2-CZ 3.28Å; V13-L54 HydrophobicContact CG1-CB 3.8Å; V13-L285 HydrophobicContact CB-CB 4.25Å; V13-L285 PolarHBondContact N-O 2.96Å; V13-L285 PolarHBondContact O-N 3.26Å
14L98Very high87.3Confident0 Ų028.9 Ų28.90%018%0.183CC..EExtended strand (participates in β ladder)trans-86119.9167.8-167.572.1000108.7I41 L44 A45 V50 F52 I53 L54 V282 L297L14-I41 HydrophobicContact CD2-CG2 3.84Å; L14-I41 VanDerWaalsContact CD2-O 3.23Å; L14-I41 WeakPolarHBondContact CD2-O 3.49Å; L14-L44 HydrophobicContact CD2-CB 4.46Å; L14-A45 HydrophobicContact CD2-CB 3.72Å; L14-V50 HydrophobicContact CB-CG1 4.12Å; L14-V50 HydrophobicContact CB-CG2 4.27Å; L14-F52 PolarHBondContact N-O 3.06Å; L14-F52 VanDerWaalsContact N-O 3.13Å; L14-I53 HydrophobicContact CB-CG1 4.39Å; L14-I53 CarbonylContact O-C 3.57Å; L14-I53 WeakPolarHBondContact O-CA 3.33Å; L14-L54 PolarHBondContact O-N 3.4Å; L14-V282 HydrophobicContact CD1-CB 4.46Å; L14-V282 HydrophobicContact CD1-CG2 3.89Å; L14-L297 HydrophobicContact CD1-CD1 3.98Å
15V98.1Very high89.7Confident1 Ų126.3 Ų26.31%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-107.7126.8-179.5-173.70000109.5V13 L54 I240 P264 A283 L285V13-V15 HydrophobicContact CG1-CG2 3.98Å; V15-L54 WeakPolarHBondContact CA-O 3.31Å; V15-L54 HydrophobicContact CG2-CB 4.43Å; V15-L54 HydrophobicContact CG2-CD2 4.43Å; V15-I240 HydrophobicContact CG1-CB 4.5Å; V15-I240 HydrophobicContact CG1-CD1 4.25Å; V15-I240 HydrophobicContact CG1-CG1 4.24Å; V15-I240 HydrophobicContact CG1-CG2 3.48Å; V15-I240 VanDerWaalsContact CG1-CG2 3.48Å; V15-P264 HydrophobicContact CG1-CG 3.98Å; V15-A283 HydrophobicContact CB-CB 4.21Å; V15-A283 PolarHBondContact N-O 3.21Å; V15-A283 PolarHBondContact O-N 3.19Å; V15-L285 HydrophobicContact CG2-CB 4.11Å; V15-L285 HydrophobicContact CG2-CD2 4.35Å
16S97.7Very high92.4Very high3 Ų332.7 Ų32.72%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-142.1160.7173.8-176.80000109.6N19 I41 L54 F55 A56S16-N19 PolarHBondContact OG-ND2 3.5Å; S16-I41 WeakPolarHBondContact OG-CD1 3.22Å; S16-L54 PolarHBondContact N-O 3Å; S16-F55 VanDerWaalsContact O-CA 3.26Å; S16-F55 WeakPolarHBondContact O-CA 3.47Å; S16-A56 PolarHBondContact O-N 3.06Å
17T97.6Very high94.3Very high0 Ų033.2 Ų33.20%016%0.162CC..  trans-151.6161.1-179.9-164.80000109.5N19 A56 G242 P264 G265T17-N19 PolarHBondContact O-N 3.07Å; T17-A56 WeakPolarHBondContact OG1-CB 3.47Å; T17-A56 PolarHBondContact OG1-O 3.21Å; T17-G242 VanDerWaalsContact OG1-CA 3.29Å; T17-G242 WeakPolarHBondContact OG1-CA 3.46Å; T17-P264 HydrophobicContact CG2-CB 4.08Å; T17-P264 HydrophobicContact CG2-CG 4.29Å; T17-G265 VanDerWaalsContact CG2-O 3.25Å; T17-G265 WeakPolarHBondContact CG2-O 3.49Å
18D98Very high95.2Very high0 Ų034.3 Ų34.30%019%0.187CC..  trans53.555.4168.1-59.9-99.1000110.7H20 G57 D58 H215 H243 H245 S266 S267D18-H20 VanDerWaalsContact C-N 3.32Å; D18-H20 PolarHBondContact O-CD2 3.06Å; D18-H20 IonicContact OD1-NE2 2.74Å; D18-G57 PolarHBondContact N-O 3.42Å; D18-D58 CarbonylContact C-O 3.5Å; D18-D58 HydrophobicContact CB-CB 4.44Å; D18-H215 IonicContact OD1-CE1 2.99Å; D18-H215 PolarHBondContact OD1-CE1 3.11Å; D18-H215 VanDerWaalsContact OD1-CE1 3.24Å; D18-H215 IonicContact OD1-NE2 3.7Å; D18-H215 IonicContact OD2-CE1 3.9Å; D18-H243 WeakPolarHBondContact OD1-CA 3.48Å; D18-H243 PolarHBondContact OD1-N 3.28Å; D18-H243 PolarHBondContact OD2-N 2.94Å; D18-H245 IonicContact OD1-CD2 3.49Å; D18-H245 PolarHBondContact OD1-CD2 3.29Å; D18-H245 IonicContact OD1-NE2 3.85Å; D18-H245 PolarHBondContact OD1-NE2 3.14Å; D18-S266 WeakPolarHBondContact O-CA 3.25Å; D18-S266 VanDerWaalsContact O-CB 3.28Å; D18-S266 WeakPolarHBondContact O-CB 3.43Å; D18-S267 PolarHBondContact O-N 3.33Å
19N97.6Very high95.5Very high0 Ų032 Ų320%018%0.179CC..  trans-73-30.7-179.7-62.3118000111.8S16 T17 V21 F38 I41 F55 D58 S267S16-N19 PolarHBondContact OG-ND2 3.5Å; T17-N19 PolarHBondContact O-N 3.07Å; N19-V21 HydrophobicContact CB-CG2 4.21Å; N19-V21 PolarHBondContact O-N 3.23Å; N19-F38 HydrophobicContact CB-CD2 4.07Å; N19-I41 VanDerWaalsContact ND2-CD1 3.29Å; N19-I41 WeakPolarHBondContact ND2-CD1 3.48Å; N19-F55 WeakPolarHBondContact OD1-CD1 3.36Å; N19-D58 PolarHBondContact N-O 2.95Å; N19-S267 VanDerWaalsContact CA-OG 3.3Å; N19-S267 WeakPolarHBondContact CA-OG 3.41Å; N19-S267 PolarHBondContact ND2-OG 2.74Å; N19-S267 PolarHBondContact O-OG 3.24Å
20H97.7Very high95.5Very high1 Ų131.3 Ų31.31%0.00517%0.173CC..  trans5044.7176.2-75.3-79.1000112.3D18 G22 Y23 D58 I59 H61 H127 H245 V268 T270D18-H20 VanDerWaalsContact C-N 3.32Å; D18-H20 PolarHBondContact O-CD2 3.06Å; D18-H20 IonicContact OD1-NE2 2.74Å; H20-G22 PolarHBondContact O-N 3Å; H20-Y23 VanDerWaalsContact O-CB 3.24Å; H20-Y23 WeakPolarHBondContact O-CB 3.15Å; H20-Y23 PolarHBondContact O-N 3Å; H20-D58 IonicContact CE1-OD2 3.44Å; H20-D58 PolarHBondContact CE1-OD2 2.81Å; H20-D58 PolarHBondContact N-O 3.38Å; H20-D58 IonicContact NE2-OD2 3.66Å; H20-D58 PolarHBondContact NE2-OD2 2.88Å; H20-I59 PolarHBondContact N-O 2.89Å; H20-H61 HydrophobicContact CB-CB 4.08Å; H20-H61 AromaticContact CE1-ND1 3.94Å; H20-H61 AromaticContact CG-ND1 3.88Å; H20-H61 AromaticContact ND1-CG 3.84Å; H20-H61 AromaticContact ND1-ND1 3Å; H20-H61 PolarHBondContact ND1-ND1 3.04Å; H20-H127 AromaticContact CE1-CD2 3.55Å; H20-H127 AromaticContact CE1-CG 3.8Å; H20-H127 AromaticContact CE1-NE2 3.86Å; H20-H245 AromaticContact CD2-CE1 3.78Å; H20-H245 AromaticContact CD2-NE2 3.7Å; H20-H245 AromaticContact NE2-CE1 3.37Å; H20-H245 PolarHBondContact NE2-CE1 3.37Å; H20-H245 AromaticContact NE2-NE2 3.1Å; H20-H245 PolarHBondContact NE2-NE2 3.14Å; H20-V268 HydrophobicContact CB-CG1 3.82Å; H20-T270 HydrophobicContact CB-CG2 3.96Å
21V97.3Very high95.4Very high2 Ų231.4 Ų31.41%0.01217%0.174CC..BIsolated β-bridgetrans-61.6125.2177.7-178.40000109.4N19 F35 F38 I59 F60 H61 V73N19-V21 HydrophobicContact CB-CG2 4.21Å; N19-V21 PolarHBondContact O-N 3.23Å; V21-F35 HydrophobicContact CG1-CD1 3.58Å; V21-F35 HydrophobicContact CG1-CE1 3.25Å; V21-F35 HydrophobicContact CG1-CZ 4.08Å; V21-F38 HydrophobicContact CG2-CB 4.04Å; V21-F38 HydrophobicContact CG2-CD2 4.08Å; V21-F38 HydrophobicContact CG2-CG 3.99Å; V21-I59 WeakPolarHBondContact CB-O 3.27Å; V21-I59 WeakPolarHBondContact CG2-O 3.44Å; V21-I59 PolarHBondContact N-O 2.95Å; V21-F60 HydrophobicContact CB-CD1 4.34Å; V21-H61 PolarHBondContact O-N 3.17Å; V21-V73 HydrophobicContact CB-CG2 4Å; V21-V73 HydrophobicContact CG1-CG2 3.61Å; V21-V73 HydrophobicContact CG2-CG2 4.04Å
22G95Very high95.2Very high8 Ų835 Ų358%0.08219%0.191CC..THydrogen-bonded Turntrans101.6-6.4-173.200000114H20 A24 E25 S34 S69H20-G22 PolarHBondContact O-N 3Å; G22-A24 PolarHBondContact O-N 2.93Å; G22-E25 WeakPolarHBondContact O-CB 3.32Å; G22-E25 PolarHBondContact O-N 3.42Å; G22-S34 PolarHBondContact N-OG 3.28Å; G22-S69 VanDerWaalsContact CA-OG 3.27Å; G22-S69 WeakPolarHBondContact CA-OG 3.33Å
23Y96.4Very high95.1Very high39 Ų3933.1 Ų33.115%0.15319%0.185CC..THydrogen-bonded Turntrans-59.5129.9173.9175.9-101.3000111.5H20 E25 R30 H61 V268 A269 T270H20-Y23 VanDerWaalsContact O-CB 3.24Å; H20-Y23 WeakPolarHBondContact O-CB 3.15Å; H20-Y23 PolarHBondContact O-N 3Å; Y23-E25 PolarHBondContact O-N 2.65Å; Y23-R30 PolarHBondContact OH-NH2 3.18Å; Y23-H61 AromaticContact CD2-CD2 3.96Å; Y23-H61 AromaticContact CD2-CE1 3.63Å; Y23-H61 AromaticContact CD2-ND1 3.89Å; Y23-H61 AromaticContact CD2-NE2 3.62Å; Y23-V268 HydrophobicContact CD1-CG1 4.48Å; Y23-V268 HydrophobicContact CD1-CG2 4.15Å; Y23-A269 VanDerWaalsContact CE1-O 3.24Å; Y23-A269 WeakPolarHBondContact CE1-O 3.44Å; Y23-T270 HydrophobicContact CD2-CG2 4.34Å; Y23-T270 WeakPolarHBondContact CE2-O 3.42Å; Y23-T270 HydrophobicContact CG-CG2 4.46Å; Y23-T270 PolarHBondContact OH-O 3.42Å
24A93.6Very high95Very high29 Ų2933 Ų3324%0.2418%0.184CC..THydrogen-bonded Turntrans53.229.6-176.900000114.6G22 K26 D27 R30 G31G22-A24 PolarHBondContact O-N 2.93Å; A24-K26 PolarHBondContact O-N 3.31Å; A24-D27 HydrophobicContact CB-CB 4.17Å; A24-D27 VanDerWaalsContact O-CB 3.25Å; A24-D27 WeakPolarHBondContact O-CB 3.27Å; A24-D27 PolarHBondContact O-N 3.13Å; A24-R30 HydrophobicContact CB-CB 4.25Å; A24-G31 VanDerWaalsContact O-CA 3.22Å; A24-G31 WeakPolarHBondContact O-CA 3.12Å
25E92.7Very high94.9Very high46 Ų4633.2 Ų33.222%0.21519%0.185CC..THydrogen-bonded Turntrans-54.4-32.6-176.8-171.9-173.7156.700113.6G22 Y23 D27 F35 S66 R68 S69G22-E25 WeakPolarHBondContact O-CB 3.32Å; G22-E25 PolarHBondContact O-N 3.42Å; Y23-E25 PolarHBondContact O-N 2.65Å; E25-D27 VanDerWaalsContact C-N 3.31Å; E25-D27 PolarHBondContact O-N 2.75Å; E25-F35 HydrophobicContact CG-CE2 4.41Å; E25-S66 VanDerWaalsContact CD-OG 3.27Å; E25-S66 PolarHBondContact OE1-OG 2.84Å; E25-S66 VanDerWaalsContact OE2-CB 3.3Å; E25-S66 WeakPolarHBondContact OE2-CB 3.28Å; E25-S66 PolarHBondContact OE2-OG 2.91Å; E25-R68 WeakPolarHBondContact OE1-CB 3.36Å; E25-R68 WeakPolarHBondContact OE1-CD 3.41Å; E25-S69 PolarHBondContact OE2-OG 2.83Å
26K93.7Very high94.7Very high208 Ų20835.8 Ų35.890%0.90419%0.194SC*.THydrogen-bonded Turntrans-79.2-10.8179.9-63175.3-175.9166.40113.6A24A24-K26 PolarHBondContact O-N 3.31Å
27D92.9Very high94.6Very high64 Ų6435.7 Ų35.734%0.34219%0.194SC..  trans-77.1130179.2-170.9-84.2000110.7A24 E25 L29 R30 G31A24-D27 HydrophobicContact CB-CB 4.17Å; A24-D27 VanDerWaalsContact O-CB 3.25Å; A24-D27 WeakPolarHBondContact O-CB 3.27Å; A24-D27 PolarHBondContact O-N 3.13Å; E25-D27 VanDerWaalsContact C-N 3.31Å; E25-D27 PolarHBondContact O-N 2.75Å; D27-L29 PolarHBondContact O-N 3.47Å; D27-L29 WeakPolarHBondContact OD1-CA 3.46Å; D27-L29 PolarHBondContact OD1-N 3.46Å; D27-R30 HydrophobicContact CB-CB 4.13Å; D27-R30 PolarHBondContact OD1-N 2.77Å; D27-G31 WeakPolarHBondContact O-CA 3.5Å; D27-G31 PolarHBondContact O-N 2.93Å
28G90.5Very high94.6Very high83 Ų8335.8 Ų35.886%0.85619%0.194SC*.THydrogen-bonded Turntrans-67.5-18.4-17600000114.9
29L91.2Very high94.5Very high81 Ų8136.5 Ų36.542%0.42420%0.198SC..THydrogen-bonded Turntrans-108.2-43.8179.8-66.6174.6000112.3D27 R303D27-L29 PolarHBondContact O-N 3.47Å; D27-L29 WeakPolarHBondContact OD1-CA 3.46Å; D27-L29 PolarHBondContact OD1-N 3.46Å; L29-R303 PolarHBondContact O-NH2 3.35Å
30R93Very high94.4Very high34 Ų3436.7 Ų36.713%0.12820%0.198CC..THydrogen-bonded Turntrans-91.7-15.2-172.6-61.9168.167.5-163.54.5113.6Y23 A24 D27 Q32 D33 A419Y23-R30 PolarHBondContact OH-NH2 3.18Å; A24-R30 HydrophobicContact CB-CB 4.25Å; D27-R30 HydrophobicContact CB-CB 4.13Å; D27-R30 PolarHBondContact OD1-N 2.77Å; R30-Q32 PolarHBondContact O-N 3.33Å; R30-D33 WeakPolarHBondContact O-CB 3.5Å; R30-D33 VanDerWaalsContact O-CG 3.27Å; R30-D33 PolarHBondContact O-N 3.41Å; R30-A419 HydrophobicContact CG-CB 4.04Å
31G92.1Very high94.4Very high4 Ų436.7 Ų36.74%0.04120%0.198CC..THydrogen-bonded Turntrans-65.4-5.2-17200000116A24 D27 F35A24-G31 VanDerWaalsContact O-CA 3.22Å; A24-G31 WeakPolarHBondContact O-CA 3.12Å; D27-G31 WeakPolarHBondContact O-CA 3.5Å; D27-G31 PolarHBondContact O-N 2.93Å; G31-F35 WeakPolarHBondContact O-CD2 3.47Å; G31-F35 WeakPolarHBondContact O-CE2 3.29Å
32Q92.6Very high94.4Very high78 Ų7836.6 Ų36.636%0.36420%0.198SC..THydrogen-bonded Turntrans-104.5-7172.2-66.9-56.4-81.500114R30 F35 R36R30-Q32 PolarHBondContact O-N 3.33Å; Q32-F35 PolarHBondContact O-N 3.34Å; Q32-R36 WeakPolarHBondContact O-CG 3.43Å; Q32-R36 PolarHBondContact O-N 3.2Å
33D94.6Very high94.4Very high12 Ų1238.5 Ų38.56%0.06420%0.203CC..Hα-helixtrans-62.9-51.5-170.9-66.4-2.5000111R30 F35 R36 T37 V268 R303R30-D33 WeakPolarHBondContact O-CB 3.5Å; R30-D33 VanDerWaalsContact O-CG 3.27Å; R30-D33 PolarHBondContact O-N 3.41Å; D33-F35 VanDerWaalsContact C-N 3.29Å; D33-F35 PolarHBondContact O-N 2.9Å; D33-R36 PolarHBondContact O-N 2.98Å; D33-T37 PolarHBondContact O-N 3.49Å; D33-T37 PolarHBondContact O-OG1 3.4Å; D33-V268 HydrophobicContact CB-CG2 4.46Å; D33-R303 IonicContact OD1-CZ 2.69Å; D33-R303 IonicContact OD1-NE 2.76Å; D33-R303 IonicContact OD1-NH2 2.76Å; D33-R303 PolarHBondContact OD1-NH2 3.07Å; D33-R303 IonicContact OD2-CZ 2.83Å; D33-R303 IonicContact OD2-NE 3.51Å; D33-R303 PolarHBondContact OD2-NE 3.27Å; D33-R303 IonicContact OD2-NH2 3.1Å; D33-R303 PolarHBondContact OD2-NH2 3.31Å
34S95.6Very high94.3Very high0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-60.3-38.4-178.666.90000112.7G22 F38G22-S34 PolarHBondContact N-OG 3.28Å; S34-F38 VanDerWaalsContact O-CB 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.38Å; S34-F38 PolarHBondContact O-N 3.25Å
35F95.1Very high94.3Very high5 Ų536.7 Ų36.72%0.02219%0.191CC..Hα-helixtrans-69.7-45.2-179.7-61-69.6000112.2V21 E25 G31 Q32 D33 T37 F38 E39 S69 E72V21-F35 HydrophobicContact CG1-CD1 3.58Å; V21-F35 HydrophobicContact CG1-CE1 3.25Å; V21-F35 HydrophobicContact CG1-CZ 4.08Å; E25-F35 HydrophobicContact CG-CE2 4.41Å; G31-F35 WeakPolarHBondContact O-CD2 3.47Å; G31-F35 WeakPolarHBondContact O-CE2 3.29Å; Q32-F35 PolarHBondContact O-N 3.34Å; D33-F35 VanDerWaalsContact C-N 3.29Å; D33-F35 PolarHBondContact O-N 2.9Å; F35-T37 VanDerWaalsContact C-N 3.34Å; F35-F38 PolarHBondContact O-N 2.69Å; F35-E39 WeakPolarHBondContact O-CB 3.49Å; F35-E39 PolarHBondContact O-N 2.77Å; F35-S69 WeakPolarHBondContact CZ-OG 3.45Å; F35-E72 HydrophobicContact CB-CG 4.36Å; F35-E72 HydrophobicContact CD1-CB 3.79Å; F35-E72 HydrophobicContact CD1-CG 3.47Å; F35-E72 VanDerWaalsContact CD1-CG 3.47Å; F35-E72 HydrophobicContact CE1-CB 3.84Å; F35-E72 HydrophobicContact CE1-CG 4.05Å; F35-E72 HydrophobicContact CG-CG 4.13Å
36R94.1Very high94.4Very high54 Ų5436.7 Ų36.720%0.20419%0.194CC..Hα-helixtrans-65.2-39.6179.6-72.4-175.170.6-147.8-5.5111.5Q32 D33 E39 E40 R383 L385Q32-R36 WeakPolarHBondContact O-CG 3.43Å; Q32-R36 PolarHBondContact O-N 3.2Å; D33-R36 PolarHBondContact O-N 2.98Å; R36-E39 PolarHBondContact O-N 3.11Å; R36-E40 PolarHBondContact O-N 3.12Å; R36-R383 PolarHBondContact NH2-O 2.86Å; R36-R383 VanDerWaalsContact NH2-O 3.13Å; R36-L385 PolarHBondContact NH1-O 3.05Å; R36-L385 PolarHBondContact NH2-O 2.84Å
37T95.9Very high94.4Very high2 Ų230.7 Ų30.71%0.01218%0.178CC..Hα-helixtrans-72.1-38.1177.6-52.90000112.4D33 F35 E39 E40 I41 S267 L299 T301 V302D33-T37 PolarHBondContact O-N 3.49Å; D33-T37 PolarHBondContact O-OG1 3.4Å; F35-T37 VanDerWaalsContact C-N 3.34Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E39 PolarHBondContact O-N 2.92Å; T37-E40 WeakPolarHBondContact O-CB 2.91Å; T37-E40 PolarHBondContact O-N 3.45Å; T37-I41 HydrophobicContact CG2-CD1 4.48Å; T37-I41 WeakPolarHBondContact O-CG1 3.43Å; T37-I41 PolarHBondContact O-N 3.31Å; T37-S267 WeakPolarHBondContact CG2-O 3.39Å; T37-L299 HydrophobicContact CG2-CB 4.49Å; T37-L299 HydrophobicContact CG2-CD1 3.79Å; T37-L299 HydrophobicContact CG2-CD2 4.41Å; T37-L299 HydrophobicContact CG2-CG 4.47Å; T37-T301 WeakPolarHBondContact CA-OG1 3.2Å; T37-T301 WeakPolarHBondContact CB-OG1 3.14Å; T37-T301 PolarHBondContact OG1-OG1 2.87Å; T37-V302 HydrophobicContact CG2-CG2 3.8Å
38F97.1Very high94.4Very high1 Ų130.6 Ų30.60%0.00418%0.176CC..Hα-helixtrans-61.2-42.1171.5-172.4-104.5000112.1N19 V21 S34 F35 E40 I41 L42 F55 V73 L76 L77N19-F38 HydrophobicContact CB-CD2 4.07Å; V21-F38 HydrophobicContact CG2-CB 4.04Å; V21-F38 HydrophobicContact CG2-CD2 4.08Å; V21-F38 HydrophobicContact CG2-CG 3.99Å; S34-F38 VanDerWaalsContact O-CB 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.38Å; S34-F38 PolarHBondContact O-N 3.25Å; F35-F38 PolarHBondContact O-N 2.69Å; F38-E40 PolarHBondContact O-N 3.33Å; F38-I41 PolarHBondContact O-N 3.17Å; F38-L42 HydrophobicContact CD1-CD1 4.04Å; F38-L42 HydrophobicContact CE1-CD1 3.65Å; F38-L42 HydrophobicContact CE1-CG 4.32Å; F38-L42 HydrophobicContact CZ-CD1 4.25Å; F38-L42 WeakPolarHBondContact O-CG 3.25Å; F38-L42 PolarHBondContact O-N 3.46Å; F38-F55 HydrophobicContact CE2-CE1 4.21Å; F38-F55 HydrophobicContact CE2-CE2 4.08Å; F38-F55 AromaticContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CZ-CE2 4.26Å; F38-F55 HydrophobicContact CZ-CZ 4.11Å; F38-V73 HydrophobicContact CE1-CB 4.44Å; F38-V73 HydrophobicContact CE1-CG1 3.99Å; F38-V73 HydrophobicContact CE1-CG2 4.3Å; F38-V73 HydrophobicContact CZ-CG1 4.1Å; F38-L76 HydrophobicContact CD1-CB 4.46Å; F38-L76 HydrophobicContact CD1-CD1 3.82Å; F38-L76 HydrophobicContact CE1-CB 4.42Å; F38-L77 HydrophobicContact CE1-CG 4.49Å; F38-L77 HydrophobicContact CZ-CD2 4.31Å; F38-L77 HydrophobicContact CZ-CG 4.5Å
39E96.1Very high94.5Very high16 Ų1630 Ų308%0.07515%0.153CC..Hα-helixtrans-61-41.4172.9177.9171.6-161.600112.5F35 R36 T37 I41 L42 R43 L76 Y80F35-E39 WeakPolarHBondContact O-CB 3.49Å; F35-E39 PolarHBondContact O-N 2.77Å; R36-E39 PolarHBondContact O-N 3.11Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E39 PolarHBondContact O-N 2.92Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.94Å; E39-L42 PolarHBondContact O-N 2.77Å; E39-R43 WeakPolarHBondContact O-CG 3.44Å; E39-R43 PolarHBondContact O-N 3Å; E39-R43 IonicContact OE1-CZ 3.79Å; E39-R43 IonicContact OE1-NE 3.8Å; E39-R43 IonicContact OE1-NH2 3.31Å; E39-R43 PolarHBondContact OE1-NH2 3.13Å; E39-L76 HydrophobicContact CB-CD1 4.04Å; E39-L76 HydrophobicContact CB-CD2 3.8Å; E39-L76 HydrophobicContact CG-CD2 3.79Å; E39-Y80 HydrophobicContact CG-CE2 3.83Å; E39-Y80 PolarHBondContact OE1-OH 2.67Å
40E95.5Very high94.7Very high4 Ų426.2 Ų26.22%0.01913%0.133CC..Hα-helixtrans-58.3-45175.4179.9177.7-162.500111.7R36 T37 F38 L42 R43 L44 L299 R300 T301 L384R36-E40 PolarHBondContact O-N 3.12Å; T37-E40 WeakPolarHBondContact O-CB 2.91Å; T37-E40 PolarHBondContact O-N 3.45Å; F38-E40 PolarHBondContact O-N 3.33Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.05Å; E40-R43 WeakPolarHBondContact O-CB 3.34Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-R43 VanDerWaalsContact O-N 3.16Å; E40-L44 HydrophobicContact CG-CD1 4.32Å; E40-L44 HydrophobicContact CG-CG 4.48Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 2.94Å; E40-L299 HydrophobicContact CG-CD2 4.18Å; E40-R300 VanDerWaalsContact CD-N 3.32Å; E40-R300 WeakPolarHBondContact OE1-CB 3.42Å; E40-R300 PolarHBondContact OE1-N 3.11Å; E40-R300 PolarHBondContact OE2-N 3.39Å; E40-R300 VanDerWaalsContact OE2-N 3.14Å; E40-T301 HydrophobicContact CB-CG2 4.04Å; E40-T301 HydrophobicContact CG-CG2 4.4Å; E40-T301 VanDerWaalsContact OE2-CB 3.27Å; E40-T301 WeakPolarHBondContact OE2-CB 3.47Å; E40-T301 VanDerWaalsContact OE2-CG2 3.32Å; E40-T301 WeakPolarHBondContact OE2-CG2 3.26Å; E40-T301 PolarHBondContact OE2-N 3.19Å; E40-T301 PolarHBondContact OE2-OG1 2.8Å; E40-L384 HydrophobicContact CB-CD2 4.12Å; E40-L384 HydrophobicContact CG-CD2 4.34Å
41I97Very high94.9Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-59.2-44.5178.7-66.1164.5000110.6L14 S16 N19 T37 F38 E39 L44 A45 F55 V282 L299L14-I41 HydrophobicContact CD2-CG2 3.84Å; L14-I41 VanDerWaalsContact CD2-O 3.23Å; L14-I41 WeakPolarHBondContact CD2-O 3.49Å; S16-I41 WeakPolarHBondContact OG-CD1 3.22Å; N19-I41 VanDerWaalsContact ND2-CD1 3.29Å; N19-I41 WeakPolarHBondContact ND2-CD1 3.48Å; T37-I41 HydrophobicContact CG2-CD1 4.48Å; T37-I41 WeakPolarHBondContact O-CG1 3.43Å; T37-I41 PolarHBondContact O-N 3.31Å; F38-I41 PolarHBondContact O-N 3.17Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.94Å; I41-L44 WeakPolarHBondContact O-CB 3.37Å; I41-L44 PolarHBondContact O-N 3.02Å; I41-A45 PolarHBondContact O-N 3.25Å; I41-F55 HydrophobicContact CG2-CE1 4.26Å; I41-V282 HydrophobicContact CD1-CG1 4.16Å; I41-V282 HydrophobicContact CG1-CG1 3.88Å; I41-V282 HydrophobicContact CG2-CG1 4.41Å; I41-L299 HydrophobicContact CG1-CD2 3.75Å
42L97Very high95.2Very high0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-67.2-36.9177-63.5176.8000112.4F38 E39 E40 L44 A45 V46 I53 F55 L76 L77 Y80F38-L42 HydrophobicContact CD1-CD1 4.04Å; F38-L42 HydrophobicContact CE1-CD1 3.65Å; F38-L42 HydrophobicContact CE1-CG 4.32Å; F38-L42 HydrophobicContact CZ-CD1 4.25Å; F38-L42 WeakPolarHBondContact O-CG 3.25Å; F38-L42 PolarHBondContact O-N 3.46Å; E39-L42 PolarHBondContact O-N 2.77Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.05Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-A45 WeakPolarHBondContact O-CB 3.48Å; L42-A45 PolarHBondContact O-N 3.33Å; L42-V46 PolarHBondContact O-N 3.36Å; L42-I53 HydrophobicContact CD2-CD1 3.64Å; L42-F55 HydrophobicContact CD2-CZ 4.45Å; L42-L76 HydrophobicContact CD1-CB 3.72Å; L42-L77 HydrophobicContact CD1-CD2 4.29Å; L42-L77 HydrophobicContact CD2-CD2 4.03Å; L42-Y80 HydrophobicContact CB-CD2 3.68Å; L42-Y80 HydrophobicContact CB-CE2 4.45Å; L42-Y80 HydrophobicContact CB-CG 3.8Å; L42-Y80 HydrophobicContact CD1-CD2 3.94Å; L42-Y80 HydrophobicContact CG-CD2 4.5Å
43R94.9Very high95.4Very high49 Ų4921.2 Ų21.219%0.18511%0.11CC..Hα-helixtrans-62.2-41171.9-76.9-178.1177.4169.57.9112E39 E40 A45 V46 S47 Y80 S380E39-R43 WeakPolarHBondContact O-CG 3.44Å; E39-R43 PolarHBondContact O-N 3Å; E39-R43 IonicContact OE1-CZ 3.79Å; E39-R43 IonicContact OE1-NE 3.8Å; E39-R43 IonicContact OE1-NH2 3.31Å; E39-R43 PolarHBondContact OE1-NH2 3.13Å; E40-R43 WeakPolarHBondContact O-CB 3.34Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-R43 VanDerWaalsContact O-N 3.16Å; R43-A45 VanDerWaalsContact C-N 3.31Å; R43-A45 PolarHBondContact O-N 3.24Å; R43-V46 PolarHBondContact O-N 2.79Å; R43-S47 WeakPolarHBondContact O-CB 3.49Å; R43-S47 PolarHBondContact O-N 2.97Å; R43-S47 PolarHBondContact O-OG 3.48Å; R43-Y80 HydrophobicContact CG-CD1 4.37Å; R43-Y80 HydrophobicContact CG-CE1 3.53Å; R43-Y80 PolarHBondContact NE-OH 2.89Å; R43-Y80 PolarHBondContact NH2-OH 2.56Å; R43-S380 PolarHBondContact NH2-O 2.69Å
44L94.2Very high95.6Very high30 Ų3020.7 Ų20.716%0.15711%0.108CC..Hα-helixtrans-62.7-39175.9-71.3173.6000111.4L14 E40 I41 L42 V46 S47 H48 V282 L299L14-L44 HydrophobicContact CD2-CB 4.46Å; E40-L44 HydrophobicContact CG-CD1 4.32Å; E40-L44 HydrophobicContact CG-CG 4.48Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 2.94Å; I41-L44 WeakPolarHBondContact O-CB 3.37Å; I41-L44 PolarHBondContact O-N 3.02Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 2.95Å; L44-S47 WeakPolarHBondContact CA-OG 3.48Å; L44-S47 PolarHBondContact O-N 3.47Å; L44-S47 PolarHBondContact O-OG 3.48Å; L44-H48 WeakPolarHBondContact O-CB 3.4Å; L44-H48 PolarHBondContact O-CD2 3.41Å; L44-H48 PolarHBondContact O-N 2.97Å; L44-V282 HydrophobicContact CD1-CG2 3.87Å; L44-L299 HydrophobicContact CD1-CD2 4.01Å
45A95.4Very high95.7Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-58.2-46.5175.500000111.6L14 I41 L42 R43 N49 V50 I53L14-A45 HydrophobicContact CD2-CB 3.72Å; I41-A45 PolarHBondContact O-N 3.25Å; L42-A45 WeakPolarHBondContact O-CB 3.48Å; L42-A45 PolarHBondContact O-N 3.33Å; R43-A45 VanDerWaalsContact C-N 3.31Å; R43-A45 PolarHBondContact O-N 3.24Å; A45-N49 PolarHBondContact O-N 2.74Å; A45-V50 HydrophobicContact CB-CG2 3.72Å; A45-V50 WeakPolarHBondContact O-CG2 3.3Å; A45-V50 PolarHBondContact O-N 2.96Å; A45-V50 VanDerWaalsContact O-N 3.12Å; A45-I53 HydrophobicContact CB-CD1 3.5Å; A45-I53 VanDerWaalsContact CB-CD1 3.5Å; A45-I53 HydrophobicContact CB-CG1 3.85Å
46V94.2Very high95.8Very high46 Ų4620.5 Ų20.528%0.27911%0.107SC..Hα-helixtrans-67.7-46.8177.5178.40000111.2L42 R43 L44 H48 N49 Y80 I118L42-V46 PolarHBondContact O-N 3.36Å; R43-V46 PolarHBondContact O-N 2.79Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 2.95Å; V46-H48 VanDerWaalsContact C-N 3.31Å; V46-H48 PolarHBondContact O-N 2.83Å; V46-N49 PolarHBondContact O-N 2.73Å; V46-Y80 HydrophobicContact CG2-CD1 4.1Å; V46-I118 HydrophobicContact CG2-CD1 3.9Å
47S92.7Very high95.9Very high81 Ų8118 Ų1857%0.56610%0.097SC*.Hα-helixtrans-65.2-33.5-176.2710000113.3R43 L44 N49R43-S47 WeakPolarHBondContact O-CB 3.49Å; R43-S47 PolarHBondContact O-N 2.97Å; R43-S47 PolarHBondContact O-OG 3.48Å; L44-S47 WeakPolarHBondContact CA-OG 3.48Å; L44-S47 PolarHBondContact O-N 3.47Å; L44-S47 PolarHBondContact O-OG 3.48Å; S47-N49 VanDerWaalsContact C-N 3.32Å
48H93Very high96Very high63 Ų6317.9 Ų17.929%0.29210%0.097SC..THydrogen-bonded Turntrans-88.30.3176.2-74.4-85.5000113.6R12 L44 V46 V50 L284R12-H48 PolarHBondContact NH1-O 3.27Å; L44-H48 WeakPolarHBondContact O-CB 3.4Å; L44-H48 PolarHBondContact O-CD2 3.41Å; L44-H48 PolarHBondContact O-N 2.97Å; V46-H48 VanDerWaalsContact C-N 3.31Å; V46-H48 PolarHBondContact O-N 2.83Å; H48-V50 VanDerWaalsContact C-N 3.33Å; H48-V50 HydrophobicContact CB-CG1 4.05Å; H48-V50 PolarHBondContact O-N 3.02Å; H48-L284 HydrophobicContact CB-CD2 4.42Å
49N93.5Very high96Very high71 Ų7118 Ų1838%0.3810%0.097SC..THydrogen-bonded Turntrans50.350.6-179.3-169.836.5000112.3A45 V46 S47 K85A45-N49 PolarHBondContact O-N 2.74Å; V46-N49 PolarHBondContact O-N 2.73Å; S47-N49 VanDerWaalsContact C-N 3.32Å; N49-K85 VanDerWaalsContact OD1-CE 3.25Å; N49-K85 WeakPolarHBondContact OD1-CE 3.28Å; N49-K85 PolarHBondContact OD1-NZ 3.3Å
50V95.9Very high96.1Very high0 Ų017.2 Ų17.20%09%0.094CC..  trans-68.9155.6-178.8-53.60000111.4R12 L14 A45 H48 I53 K85 I118 L284R12-V50 HydrophobicContact CB-CB 4.47Å; L14-V50 HydrophobicContact CB-CG1 4.12Å; L14-V50 HydrophobicContact CB-CG2 4.27Å; A45-V50 HydrophobicContact CB-CG2 3.72Å; A45-V50 WeakPolarHBondContact O-CG2 3.3Å; A45-V50 PolarHBondContact O-N 2.96Å; A45-V50 VanDerWaalsContact O-N 3.12Å; H48-V50 VanDerWaalsContact C-N 3.33Å; H48-V50 HydrophobicContact CB-CG1 4.05Å; H48-V50 PolarHBondContact O-N 3.02Å; V50-I53 HydrophobicContact CG2-CG1 4.34Å; V50-K85 PolarHBondContact O-NZ 3.5Å; V50-I118 HydrophobicContact CG2-CG2 4.05Å; V50-L284 HydrophobicContact CG1-CD1 3.72Å
51D96.8Very high96.1Very high6 Ų619.2 Ų19.23%0.03210%0.103CC..SBendtrans-77.5-43.6176.5-67-60000111.1L11 R12 F89 P119 K169L11-D51 WeakPolarHBondContact CA-OD2 3.45Å; L11-D51 HydrophobicContact CD1-CB 3.92Å; R12-D51 PolarHBondContact N-OD2 2.68Å; R12-D51 WeakPolarHBondContact O-CB 3.45Å; R12-D51 PolarHBondContact O-N 3.44Å; D51-F89 HydrophobicContact CB-CD1 4.05Å; D51-F89 HydrophobicContact CB-CE1 4.26Å; D51-P119 WeakPolarHBondContact O-CD 3.24Å; D51-K169 IonicContact OD1-NZ 3.51Å; D51-K169 PolarHBondContact OD1-NZ 3.12Å; D51-K169 IonicContact OD2-NZ 3.49Å; D51-K169 PolarHBondContact OD2-NZ 3.39Å
52F97.4Very high96Very high4 Ų424 Ų242%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-153.1166.7173.166.6-94.6000111.8L11 V13 L14 L54 F89 P119 F121 L167L11-F52 HydrophobicContact CD1-CD1 4.35Å; L11-F52 HydrophobicContact CD1-CE1 4.02Å; L11-F52 HydrophobicContact CD2-CE1 3.82Å; L11-F52 HydrophobicContact CD2-CZ 4.42Å; L11-F52 HydrophobicContact CG-CE1 3.98Å; V13-F52 WeakPolarHBondContact CA-O 3.27Å; V13-F52 HydrophobicContact CB-CE2 4.19Å; V13-F52 HydrophobicContact CB-CZ 4.19Å; V13-F52 HydrophobicContact CG1-CD2 3.8Å; V13-F52 HydrophobicContact CG1-CE2 3.36Å; V13-F52 HydrophobicContact CG1-CZ 3.82Å; V13-F52 HydrophobicContact CG2-CD1 4.16Å; V13-F52 HydrophobicContact CG2-CD2 4.39Å; V13-F52 HydrophobicContact CG2-CE1 3.51Å; V13-F52 HydrophobicContact CG2-CE2 3.78Å; V13-F52 HydrophobicContact CG2-CZ 3.28Å; L14-F52 PolarHBondContact N-O 3.06Å; L14-F52 VanDerWaalsContact N-O 3.13Å; F52-L54 HydrophobicContact CE2-CB 4.26Å; F52-F89 HydrophobicContact CB-CE1 4.1Å; F52-F89 HydrophobicContact CB-CZ 4.21Å; F52-F89 HydrophobicContact CD1-CD1 4.37Å; F52-F89 AromaticContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CZ 4Å; F52-F89 HydrophobicContact CG-CE1 4.42Å; F52-F89 HydrophobicContact CG-CZ 4.45Å; F52-P119 CarbonylContact C-O 3.58Å; F52-P119 VanDerWaalsContact CA-O 3.24Å; F52-P119 WeakPolarHBondContact CA-O 3.44Å; F52-P119 HydrophobicContact CB-CB 4.26Å; F52-P119 WeakPolarHBondContact CB-O 3.47Å; F52-F121 HydrophobicContact CB-CD2 4.25Å; F52-F121 HydrophobicContact CB-CE2 4.37Å; F52-F121 AromaticContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CE2 4.37Å; F52-F121 HydrophobicContact CE2-CD2 4.25Å; F52-F121 HydrophobicContact CG-CD2 4.08Å; F52-F121 HydrophobicContact CG-CE2 4.3Å; F52-L167 HydrophobicContact CE1-CD1 3.76Å; F52-L167 HydrophobicContact CZ-CD1 3.92Å
53I98.2Very high95.8Very high1 Ų126.2 Ų26.21%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-106138.6174.2-53.6176.6000109L14 L42 A45 V50 F55 I118 P119 V120 F121L14-I53 HydrophobicContact CB-CG1 4.39Å; L14-I53 CarbonylContact O-C 3.57Å; L14-I53 WeakPolarHBondContact O-CA 3.33Å; L42-I53 HydrophobicContact CD2-CD1 3.64Å; A45-I53 HydrophobicContact CB-CD1 3.5Å; A45-I53 VanDerWaalsContact CB-CD1 3.5Å; A45-I53 HydrophobicContact CB-CG1 3.85Å; V50-I53 HydrophobicContact CG2-CG1 4.34Å; I53-F55 HydrophobicContact CG2-CD1 4.17Å; I53-F55 HydrophobicContact CG2-CD2 4.36Å; I53-F55 HydrophobicContact CG2-CE1 3.75Å; I53-F55 HydrophobicContact CG2-CE2 3.97Å; I53-F55 HydrophobicContact CG2-CG 4.44Å; I53-F55 HydrophobicContact CG2-CZ 3.64Å; I53-I118 HydrophobicContact CD1-CG2 4.26Å; I53-I118 HydrophobicContact CG1-CG2 3.91Å; I53-P119 PolarHBondContact N-O 2.75Å; I53-V120 HydrophobicContact CB-CG1 4.37Å; I53-V120 HydrophobicContact CB-CG2 4.19Å; I53-V120 HydrophobicContact CD1-CG2 4.25Å; I53-V120 CarbonylContact O-C 3.52Å; I53-V120 WeakPolarHBondContact O-CA 3.24Å; I53-F121 PolarHBondContact O-N 3.45Å
54L98.3Very high95.8Very high2 Ų232.3 Ų32.31%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-117.9113.2175.2179.361.9000109.8V13 L14 V15 S16 F52 F121 F151 L176 I240V13-L54 HydrophobicContact CG1-CB 3.8Å; L14-L54 PolarHBondContact O-N 3.4Å; V15-L54 WeakPolarHBondContact CA-O 3.31Å; V15-L54 HydrophobicContact CG2-CB 4.43Å; V15-L54 HydrophobicContact CG2-CD2 4.43Å; S16-L54 PolarHBondContact N-O 3Å; F52-L54 HydrophobicContact CE2-CB 4.26Å; L54-F121 CarbonylContact C-O 3.53Å; L54-F121 WeakPolarHBondContact CA-O 3.4Å; L54-F121 HydrophobicContact CD1-CB 4.14Å; L54-F151 HydrophobicContact CD1-CE1 3.97Å; L54-F151 HydrophobicContact CD1-CZ 3.91Å; L54-L176 HydrophobicContact CD1-CD1 4.32Å; L54-L176 HydrophobicContact CD1-CD2 4.17Å; L54-L176 HydrophobicContact CD2-CD1 4.02Å; L54-I240 HydrophobicContact CD2-CG1 4.4Å
55F98.1Very high95.8Very high1 Ų132 Ų320%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-100117.5173.7-66.8-51.6000111.2S16 N19 F38 I41 L42 I53 G57 I59 V120 F121 T122 I123S16-F55 VanDerWaalsContact O-CA 3.26Å; S16-F55 WeakPolarHBondContact O-CA 3.47Å; N19-F55 WeakPolarHBondContact OD1-CD1 3.36Å; F38-F55 HydrophobicContact CE2-CE1 4.21Å; F38-F55 HydrophobicContact CE2-CE2 4.08Å; F38-F55 AromaticContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CZ-CE2 4.26Å; F38-F55 HydrophobicContact CZ-CZ 4.11Å; I41-F55 HydrophobicContact CG2-CE1 4.26Å; L42-F55 HydrophobicContact CD2-CZ 4.45Å; I53-F55 HydrophobicContact CG2-CD1 4.17Å; I53-F55 HydrophobicContact CG2-CD2 4.36Å; I53-F55 HydrophobicContact CG2-CE1 3.75Å; I53-F55 HydrophobicContact CG2-CE2 3.97Å; I53-F55 HydrophobicContact CG2-CG 4.44Å; I53-F55 HydrophobicContact CG2-CZ 3.64Å; F55-G57 PolarHBondContact O-N 3.31Å; F55-I59 HydrophobicContact CB-CD1 4.22Å; F55-I59 HydrophobicContact CB-CG1 4.22Å; F55-I59 HydrophobicContact CD2-CD1 3.93Å; F55-I59 HydrophobicContact CD2-CG1 4.38Å; F55-I59 HydrophobicContact CG-CD1 4.35Å; F55-I59 HydrophobicContact CG-CG1 4.4Å; F55-V120 HydrophobicContact CD2-CG1 3.39Å; F55-V120 HydrophobicContact CE2-CG1 3.47Å; F55-V120 VanDerWaalsContact CE2-CG1 3.47Å; F55-F121 PolarHBondContact N-O 2.8Å; F55-T122 WeakPolarHBondContact CB-OG1 3.47Å; F55-T122 VanDerWaalsContact O-CA 3.25Å; F55-T122 WeakPolarHBondContact O-CA 3.28Å; F55-T122 PolarHBondContact O-OG1 3.47Å; F55-T122 VanDerWaalsContact O-OG1 3.05Å; F55-I123 PolarHBondContact O-N 3.5Å
56A97.3Very high95.8Very high0 Ų033.5 Ų33.50%017%0.174CC..  trans-86.731.4-176.400000114.6S16 T17 T213 H215 I240S16-A56 PolarHBondContact O-N 3.06Å; T17-A56 WeakPolarHBondContact OG1-CB 3.47Å; T17-A56 PolarHBondContact OG1-O 3.21Å; A56-T213 HydrophobicContact CB-CG2 3.26Å; A56-H215 PolarHBondContact O-ND1 3.19Å; A56-I240 HydrophobicContact CB-CG2 3.89Å
57G95.7Very high95.9Very high0 Ų038.9 Ų38.90%020%0.198CC..SBendtrans105.1172176.400000114.6D18 F55 I59 I123 H215D18-G57 PolarHBondContact N-O 3.42Å; F55-G57 PolarHBondContact O-N 3.31Å; G57-I59 PolarHBondContact O-N 3.28Å; G57-I123 VanDerWaalsContact CA-O 3.27Å; G57-I123 WeakPolarHBondContact CA-O 3.48Å; G57-I123 PolarHBondContact N-O 3.39Å; G57-H215 WeakPolarHBondContact CA-ND1 3.39Å
58D97.3Very high96Very high1 Ų141.1 Ų41.11%0.00519%0.194CC..  trans50.452.3180-80.19.5000113.1D18 N19 H20 F60 G125 N126 H127 D128 H215D18-D58 CarbonylContact C-O 3.5Å; D18-D58 HydrophobicContact CB-CB 4.44Å; N19-D58 PolarHBondContact N-O 2.95Å; H20-D58 IonicContact CE1-OD2 3.44Å; H20-D58 PolarHBondContact CE1-OD2 2.81Å; H20-D58 PolarHBondContact N-O 3.38Å; H20-D58 IonicContact NE2-OD2 3.66Å; H20-D58 PolarHBondContact NE2-OD2 2.88Å; D58-F60 VanDerWaalsContact C-N 3.28Å; D58-G125 VanDerWaalsContact OD1-C 3.26Å; D58-G125 WeakPolarHBondContact OD1-CA 3.39Å; D58-N126 PolarHBondContact OD1-N 3.35Å; D58-N126 PolarHBondContact OD2-OD1 3.08Å; D58-H127 PolarHBondContact OD1-N 3.01Å; D58-H127 IonicContact OD2-CD2 2.77Å; D58-H127 PolarHBondContact OD2-CD2 2.97Å; D58-H127 IonicContact OD2-CG 3.2Å; D58-D128 PolarHBondContact N-OD1 2.89Å; D58-H215 IonicContact OD1-CE1 2.77Å; D58-H215 IonicContact OD1-NE2 3.11Å; D58-H215 IonicContact OD2-CE1 3.13Å; D58-H215 IonicContact OD2-NE2 3.11Å
59I97.2Very high96.2Very high3 Ų338.2 Ų38.22%0.01518%0.18CC..SBendtrans-62.8-43.2171.3-65.7178000109H20 V21 F55 G57 T122 D128H20-I59 PolarHBondContact N-O 2.89Å; V21-I59 WeakPolarHBondContact CB-O 3.27Å; V21-I59 WeakPolarHBondContact CG2-O 3.44Å; V21-I59 PolarHBondContact N-O 2.95Å; F55-I59 HydrophobicContact CB-CD1 4.22Å; F55-I59 HydrophobicContact CB-CG1 4.22Å; F55-I59 HydrophobicContact CD2-CD1 3.93Å; F55-I59 HydrophobicContact CD2-CG1 4.38Å; F55-I59 HydrophobicContact CG-CD1 4.35Å; F55-I59 HydrophobicContact CG-CG1 4.4Å; G57-I59 PolarHBondContact O-N 3.28Å; I59-T122 HydrophobicContact CD1-CG2 4.06Å; I59-T122 WeakPolarHBondContact CD1-OG1 3.48Å; I59-D128 PolarHBondContact N-OD2 3Å
60F97.8Very high96.3Very high0 Ų036 Ų360%017%0.169CC..BIsolated β-bridgetrans-106.6146.8179.5-63.6-77.8000111.6V21 D58 P65 L70 V73 H127 D128 A138 L142V21-F60 HydrophobicContact CB-CD1 4.34Å; D58-F60 VanDerWaalsContact C-N 3.28Å; F60-P65 HydrophobicContact CB-CB 4.29Å; F60-P65 HydrophobicContact CD1-CB 3.5Å; F60-P65 VanDerWaalsContact CD1-CB 3.5Å; F60-P65 HydrophobicContact CD1-CG 3.96Å; F60-P65 HydrophobicContact CD2-CG 4.4Å; F60-P65 HydrophobicContact CE1-CB 3.92Å; F60-P65 HydrophobicContact CE1-CG 4.15Å; F60-P65 HydrophobicContact CG-CB 3.94Å; F60-P65 HydrophobicContact CG-CG 4.08Å; F60-P65 HydrophobicContact CZ-CG 4.44Å; F60-L70 HydrophobicContact CE1-CD1 4.41Å; F60-L70 HydrophobicContact CZ-CD1 3.81Å; F60-V73 HydrophobicContact CE1-CB 4.12Å; F60-V73 HydrophobicContact CE1-CG2 3.66Å; F60-V73 HydrophobicContact CZ-CB 4.08Å; F60-V73 HydrophobicContact CZ-CG1 4.1Å; F60-V73 HydrophobicContact CZ-CG2 4.05Å; F60-H127 WeakPolarHBondContact O-CB 3.43Å; F60-D128 HydrophobicContact CB-CB 4.48Å; F60-A138 HydrophobicContact CD2-CB 3.4Å; F60-A138 HydrophobicContact CE2-CB 3.72Å; F60-A138 HydrophobicContact CG-CB 4.18Å; F60-L142 HydrophobicContact CE2-CD1 3.71Å; F60-L142 HydrophobicContact CE2-CG 4.31Å; F60-L142 HydrophobicContact CZ-CD1 3.91Å; F60-L142 HydrophobicContact CZ-CG 4.4Å
61H96.7Very high96.4Very high46 Ų4641.6 Ų41.621%0.21320%0.195CC..SBendtrans-79.7-26.6175.6-174.360.2000113.5H20 V21 Y23 H127H20-H61 HydrophobicContact CB-CB 4.08Å; H20-H61 AromaticContact CE1-ND1 3.94Å; H20-H61 AromaticContact CG-ND1 3.88Å; H20-H61 AromaticContact ND1-CG 3.84Å; H20-H61 AromaticContact ND1-ND1 3Å; H20-H61 PolarHBondContact ND1-ND1 3.04Å; V21-H61 PolarHBondContact O-N 3.17Å; Y23-H61 AromaticContact CD2-CD2 3.96Å; Y23-H61 AromaticContact CD2-CE1 3.63Å; Y23-H61 AromaticContact CD2-ND1 3.89Å; Y23-H61 AromaticContact CD2-NE2 3.62Å; H61-H127 AromaticContact CE1-CE1 3.75Å; H61-H127 AromaticContact ND1-CE1 3.92Å; H61-H127 AromaticContact ND1-ND1 3.85Å; H61-H127 PolarHBondContact O-ND1 2.75Å
62E94.5Very high96.3Very high101 Ų10143.1 Ų43.147%0.47220%0.201SC..SBendtrans-115.2138.9178.3-65.2-175.1-179.400109.2R64 P65 H127E62-R64 PolarHBondContact O-N 2.94Å; E62-P65 WeakPolarHBondContact O-CD 3.31Å; E62-H127 CarbonylContact C-O 3.54Å
63S93.3Very high96.3Very high45 Ų4542.9 Ų42.932%0.31520%0.2SC..SBendtrans-60.9-26.8177.159.30000112.7P65 H127S63-P65 WeakPolarHBondContact O-CD 3.42Å; S63-H127 WeakPolarHBondContact CA-O 3.41Å; S63-H127 VanDerWaalsContact CB-O 3.24Å; S63-H127 WeakPolarHBondContact CB-O 3.49Å; S63-H127 PolarHBondContact N-O 3.17Å
64R93.6Very high96.2Very high177 Ų17745.2 Ų45.267%0.66821%0.212SC*.SBendtrans-114.884.3168.1-63.2-170.9-178.999.33.4108.8E62E62-R64 PolarHBondContact O-N 2.94Å
65P95Very high96.2Very high24 Ų2449.1 Ų49.116%0.15623%0.226CC..  trans-60.1147.6-177.425.4-34.6000111F60 E62 S63 L70 A138F60-P65 HydrophobicContact CB-CB 4.29Å; F60-P65 HydrophobicContact CD1-CB 3.5Å; F60-P65 VanDerWaalsContact CD1-CB 3.5Å; F60-P65 HydrophobicContact CD1-CG 3.96Å; F60-P65 HydrophobicContact CD2-CG 4.4Å; F60-P65 HydrophobicContact CE1-CB 3.92Å; F60-P65 HydrophobicContact CE1-CG 4.15Å; F60-P65 HydrophobicContact CG-CB 3.94Å; F60-P65 HydrophobicContact CG-CG 4.08Å; F60-P65 HydrophobicContact CZ-CG 4.44Å; E62-P65 WeakPolarHBondContact O-CD 3.31Å; S63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-L70 HydrophobicContact CG-CB 4.45Å; P65-A138 HydrophobicContact CG-CB 3.87Å
66S96Very high96.1Very high32 Ų3249.1 Ų49.122%0.22423%0.226CC..  trans-59.3153.517480.60000110.9E25 R68 S69 L70E25-S66 VanDerWaalsContact CD-OG 3.27Å; E25-S66 PolarHBondContact OE1-OG 2.84Å; E25-S66 VanDerWaalsContact OE2-CB 3.3Å; E25-S66 WeakPolarHBondContact OE2-CB 3.28Å; E25-S66 PolarHBondContact OE2-OG 2.91Å; S66-R68 PolarHBondContact O-N 3.33Å; S66-R68 VanDerWaalsContact O-N 3.14Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 WeakPolarHBondContact OG-CB 3.4Å; S66-S69 PolarHBondContact OG-N 3.42Å; S66-S69 PolarHBondContact OG-OG 3.41Å; S66-S69 VanDerWaalsContact OG-OG 3.13Å; S66-L70 PolarHBondContact O-N 3.1Å
67M95.9Very high96.1Very high158 Ų15849.2 Ų49.278%0.77823%0.227SC*.Hα-helixtrans-54.6-35.5175.8-71.8-59.2-61.400112.2H71M67-H71 WeakPolarHBondContact O-CB 3.25Å; M67-H71 PolarHBondContact O-N 3.36Å
68R95.2Very high96.1Very high129 Ų12956.6 Ų56.649%0.48726%0.255SS..Hα-helixtrans-66.3-47.4175.4-175.4-173.2-172.1177.3-0.1110.9E25 S66 H71 E72E25-R68 WeakPolarHBondContact OE1-CB 3.36Å; E25-R68 WeakPolarHBondContact OE1-CD 3.41Å; S66-R68 PolarHBondContact O-N 3.33Å; S66-R68 VanDerWaalsContact O-N 3.14Å; R68-H71 PolarHBondContact O-N 2.89Å; R68-E72 VanDerWaalsContact O-CB 3.32Å; R68-E72 WeakPolarHBondContact O-CB 3.44Å; R68-E72 PolarHBondContact O-N 2.7Å
69S96.3Very high96Very high1 Ų157.6 Ų57.61%0.00726%0.26CS..Hα-helixtrans-60.8-48.6-179-71.10000111.8G22 E25 F35 S66 E72 V73G22-S69 VanDerWaalsContact CA-OG 3.27Å; G22-S69 WeakPolarHBondContact CA-OG 3.33Å; E25-S69 PolarHBondContact OE2-OG 2.83Å; F35-S69 WeakPolarHBondContact CZ-OG 3.45Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 WeakPolarHBondContact OG-CB 3.4Å; S66-S69 PolarHBondContact OG-N 3.42Å; S66-S69 PolarHBondContact OG-OG 3.41Å; S66-S69 VanDerWaalsContact OG-OG 3.13Å; S69-E72 PolarHBondContact O-N 2.99Å; S69-V73 WeakPolarHBondContact O-CG2 3.48Å; S69-V73 PolarHBondContact O-N 2.93Å; S69-V73 VanDerWaalsContact O-N 3.12Å
70L96.3Very high95.9Very high25 Ų2558.7 Ų58.713%0.13126%0.264CS..Hα-helixtrans-62.8-47.5177.4-174.363.3000111.9F60 P65 S66 E72 V73 M74 L141 L142F60-L70 HydrophobicContact CE1-CD1 4.41Å; F60-L70 HydrophobicContact CZ-CD1 3.81Å; P65-L70 HydrophobicContact CG-CB 4.45Å; S66-L70 PolarHBondContact O-N 3.1Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.4Å; L70-V73 PolarHBondContact O-N 3.33Å; L70-M74 HydrophobicContact CD1-CE 3.97Å; L70-M74 HydrophobicContact CD2-CE 4.32Å; L70-M74 HydrophobicContact CG-CE 4.04Å; L70-M74 HydrophobicContact CG-SD 4.3Å; L70-M74 WeakPolarHBondContact O-CB 3.33Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.44Å; L70-M74 PolarHBondContact O-N 3.33Å; L70-L141 HydrophobicContact CD2-CD1 4.14Å; L70-L142 HydrophobicContact CD1-CD2 4.02Å
71H96.8Very high95.9Very high118 Ų11858.9 Ų58.955%0.54627%0.265SS..Hα-helixtrans-58.2-44.1178.1173.2-83.9000111.6M67 R68 M74 R75M67-H71 WeakPolarHBondContact O-CB 3.25Å; M67-H71 PolarHBondContact O-N 3.36Å; R68-H71 PolarHBondContact O-N 2.89Å; H71-M74 PolarHBondContact O-N 3.44Å; H71-R75 VanDerWaalsContact O-CB 3.27Å; H71-R75 WeakPolarHBondContact O-CB 3.41Å; H71-R75 PolarHBondContact O-N 2.71Å
72E95.5Very high95.8Very high37 Ų3758.4 Ų58.417%0.17326%0.264CS..Hα-helixtrans-69.3-41.2-176.2-168.963.3-179.100112.3F35 R68 S69 L70 R75 L76F35-E72 HydrophobicContact CB-CG 4.36Å; F35-E72 HydrophobicContact CD1-CB 3.79Å; F35-E72 HydrophobicContact CD1-CG 3.47Å; F35-E72 VanDerWaalsContact CD1-CG 3.47Å; F35-E72 HydrophobicContact CE1-CB 3.84Å; F35-E72 HydrophobicContact CE1-CG 4.05Å; F35-E72 HydrophobicContact CG-CG 4.13Å; R68-E72 VanDerWaalsContact O-CB 3.32Å; R68-E72 WeakPolarHBondContact O-CB 3.44Å; R68-E72 PolarHBondContact O-N 2.7Å; S69-E72 PolarHBondContact O-N 2.99Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.4Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.71Å; E72-R75 IonicContact OE1-NE 2.84Å; E72-R75 PolarHBondContact OE1-NE 3.2Å; E72-R75 IonicContact OE1-NH2 3.74Å; E72-R75 PolarHBondContact OE1-NH2 3.44Å; E72-R75 IonicContact OE2-CZ 3.58Å; E72-R75 IonicContact OE2-NE 2.65Å; E72-R75 PolarHBondContact OE2-NE 2.93Å; E72-R75 IonicContact OE2-NH2 3.38Å; E72-L76 HydrophobicContact CG-CD1 4.15Å; E72-L76 WeakPolarHBondContact O-CB 3.26Å; E72-L76 VanDerWaalsContact O-CG 3.25Å; E72-L76 WeakPolarHBondContact O-CG 3.45Å; E72-L76 PolarHBondContact O-N 3.43Å
73V97.2Very high95.6Very high0 Ų054.5 Ų54.50%025%0.251CS..Hα-helixtrans-60.6-47.6172.5173.10000110.7V21 F38 F60 S69 L70 R75 L76 L77 L142V21-V73 HydrophobicContact CB-CG2 4Å; V21-V73 HydrophobicContact CG1-CG2 3.61Å; V21-V73 HydrophobicContact CG2-CG2 4.04Å; F38-V73 HydrophobicContact CE1-CB 4.44Å; F38-V73 HydrophobicContact CE1-CG1 3.99Å; F38-V73 HydrophobicContact CE1-CG2 4.3Å; F38-V73 HydrophobicContact CZ-CG1 4.1Å; F60-V73 HydrophobicContact CE1-CB 4.12Å; F60-V73 HydrophobicContact CE1-CG2 3.66Å; F60-V73 HydrophobicContact CZ-CB 4.08Å; F60-V73 HydrophobicContact CZ-CG1 4.1Å; F60-V73 HydrophobicContact CZ-CG2 4.05Å; S69-V73 WeakPolarHBondContact O-CG2 3.48Å; S69-V73 PolarHBondContact O-N 2.93Å; S69-V73 VanDerWaalsContact O-N 3.12Å; L70-V73 PolarHBondContact O-N 3.33Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.45Å; V73-L76 PolarHBondContact O-N 2.93Å; V73-L77 HydrophobicContact CG1-CD1 3.74Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 WeakPolarHBondContact O-CB 3.42Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 2.97Å; V73-L142 HydrophobicContact CG1-CD1 3.86Å; V73-L142 HydrophobicContact CG1-CD2 4.2Å
74M97.2Very high95.5Very high50 Ų5056.4 Ų56.425%0.24626%0.264CS..Hα-helixtrans-59.4-44.4176.9-72.7-177.5168.400112L70 H71 R78 L142 A145 L147L70-M74 HydrophobicContact CD1-CE 3.97Å; L70-M74 HydrophobicContact CD2-CE 4.32Å; L70-M74 HydrophobicContact CG-CE 4.04Å; L70-M74 HydrophobicContact CG-SD 4.3Å; L70-M74 WeakPolarHBondContact O-CB 3.33Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.44Å; L70-M74 PolarHBondContact O-N 3.33Å; H71-M74 PolarHBondContact O-N 3.44Å; M74-R78 WeakPolarHBondContact O-CB 3.27Å; M74-R78 WeakPolarHBondContact O-CG 3.38Å; M74-R78 PolarHBondContact O-N 3.21Å; M74-L142 HydrophobicContact CE-CD2 3.93Å; M74-L142 HydrophobicContact CG-CD2 3.53Å; M74-A145 HydrophobicContact CE-CB 4.27Å; M74-L147 HydrophobicContact CB-CD1 3.88Å; M74-L147 HydrophobicContact CG-CD1 3.78Å
75R96.8Very high95.4Very high83 Ų8350.4 Ų50.431%0.31324%0.243SC..Hα-helixtrans-59.3-49.1178-173.6-170.473.375.5-2.3111H71 E72 V73 R78 I79H71-R75 VanDerWaalsContact O-CB 3.27Å; H71-R75 WeakPolarHBondContact O-CB 3.41Å; H71-R75 PolarHBondContact O-N 2.71Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.71Å; E72-R75 IonicContact OE1-NE 2.84Å; E72-R75 PolarHBondContact OE1-NE 3.2Å; E72-R75 IonicContact OE1-NH2 3.74Å; E72-R75 PolarHBondContact OE1-NH2 3.44Å; E72-R75 IonicContact OE2-CZ 3.58Å; E72-R75 IonicContact OE2-NE 2.65Å; E72-R75 PolarHBondContact OE2-NE 2.93Å; E72-R75 IonicContact OE2-NH2 3.38Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.45Å; R75-R78 PolarHBondContact O-N 3.36Å; R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 WeakPolarHBondContact O-CD1 3.43Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.45Å; R75-I79 PolarHBondContact O-N 3.42Å; R75-I79 VanDerWaalsContact O-N 3.16Å
76L96.6Very high95.3Very high1 Ų153.8 Ų53.81%0.00527%0.265CS..Hα-helixtrans-66-46.6-178.4-70.3171.6000111.6F38 E39 L42 E72 V73 R78 I79 Y80F38-L76 HydrophobicContact CD1-CB 4.46Å; F38-L76 HydrophobicContact CD1-CD1 3.82Å; F38-L76 HydrophobicContact CE1-CB 4.42Å; E39-L76 HydrophobicContact CB-CD1 4.04Å; E39-L76 HydrophobicContact CB-CD2 3.8Å; E39-L76 HydrophobicContact CG-CD2 3.79Å; L42-L76 HydrophobicContact CD1-CB 3.72Å; E72-L76 HydrophobicContact CG-CD1 4.15Å; E72-L76 WeakPolarHBondContact O-CB 3.26Å; E72-L76 VanDerWaalsContact O-CG 3.25Å; E72-L76 WeakPolarHBondContact O-CG 3.45Å; E72-L76 PolarHBondContact O-N 3.43Å; V73-L76 PolarHBondContact O-N 2.93Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.11Å; L76-I79 PolarHBondContact O-N 3.37Å; L76-I79 VanDerWaalsContact O-N 3.11Å; L76-Y80 HydrophobicContact CD2-CD2 4.48Å; L76-Y80 HydrophobicContact CD2-CE2 3.87Å; L76-Y80 VanDerWaalsContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CD2 3.49Å; L76-Y80 PolarHBondContact O-N 3.07Å
77L97.2Very high95.2Very high2 Ų254.1 Ų54.11%0.0127%0.265CS..Hα-helixtrans-58.9-41.7175.7-71.1172.1000111.7F38 L42 V73 I79 Y80 C81 V120 L142 L147 I148F38-L77 HydrophobicContact CE1-CG 4.49Å; F38-L77 HydrophobicContact CZ-CD2 4.31Å; F38-L77 HydrophobicContact CZ-CG 4.5Å; L42-L77 HydrophobicContact CD1-CD2 4.29Å; L42-L77 HydrophobicContact CD2-CD2 4.03Å; V73-L77 HydrophobicContact CG1-CD1 3.74Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 WeakPolarHBondContact O-CB 3.42Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 2.97Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.04Å; L77-Y80 PolarHBondContact O-N 2.89Å; L77-C81 WeakPolarHBondContact O-CA 3.22Å; L77-C81 WeakPolarHBondContact O-CB 3.41Å; L77-C81 PolarHBondContact O-N 3.16Å; L77-V120 HydrophobicContact CD2-CG2 4.15Å; L77-L142 HydrophobicContact CD1-CD1 4.35Å; L77-L147 HydrophobicContact CB-CB 4.28Å; L77-L147 HydrophobicContact CB-CD1 4.36Å; L77-L147 HydrophobicContact CD1-CB 4.02Å; L77-I148 HydrophobicContact CD1-CG2 3.84Å
78R96.2Very high95Very high156 Ų15651.7 Ų51.759%0.58925%0.252SS*.Hα-helixtrans-63.9-32.5176.2-75.6-17274.5174.94.7113.7M74 R75 L76 L82 L147M74-R78 WeakPolarHBondContact O-CB 3.27Å; M74-R78 WeakPolarHBondContact O-CG 3.38Å; M74-R78 PolarHBondContact O-N 3.21Å; R75-R78 PolarHBondContact O-N 3.36Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.11Å; R78-L82 HydrophobicContact CB-CD1 4.17Å; R78-L82 HydrophobicContact CG-CD1 3.93Å; R78-L82 WeakPolarHBondContact O-CB 3.12Å; R78-L147 HydrophobicContact CG-CD1 4.37Å; R78-L147 HydrophobicContact CG-CD2 3.5Å
79I95Very high94.9Very high21 Ų2145.9 Ų45.911%0.10823%0.231CC..Hα-helixtrans-76.2-42-179.5-71.1165.8000111.3R75 L76 L77 I376 I378R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 WeakPolarHBondContact O-CD1 3.43Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.45Å; R75-I79 PolarHBondContact O-N 3.42Å; R75-I79 VanDerWaalsContact O-N 3.16Å; L76-I79 PolarHBondContact O-N 3.37Å; L76-I79 VanDerWaalsContact O-N 3.11Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.04Å; I79-I376 HydrophobicContact CG1-CD1 4.07Å; I79-I378 HydrophobicContact CG2-CD1 4.28Å
80Y95.8Very high94.8Very high27 Ų2750.7 Ų50.711%0.10625%0.253CS..Hα-helixtrans-100.2-26.5-170.3-64.8-70.9000114.5E39 L42 R43 V46 L76 L77E39-Y80 HydrophobicContact CG-CE2 3.83Å; E39-Y80 PolarHBondContact OE1-OH 2.67Å; L42-Y80 HydrophobicContact CB-CD2 3.68Å; L42-Y80 HydrophobicContact CB-CE2 4.45Å; L42-Y80 HydrophobicContact CB-CG 3.8Å; L42-Y80 HydrophobicContact CD1-CD2 3.94Å; L42-Y80 HydrophobicContact CG-CD2 4.5Å; R43-Y80 HydrophobicContact CG-CD1 4.37Å; R43-Y80 HydrophobicContact CG-CE1 3.53Å; R43-Y80 PolarHBondContact NE-OH 2.89Å; R43-Y80 PolarHBondContact NH2-OH 2.56Å; V46-Y80 HydrophobicContact CG2-CD1 4.1Å; L76-Y80 HydrophobicContact CD2-CD2 4.48Å; L76-Y80 HydrophobicContact CD2-CE2 3.87Å; L76-Y80 VanDerWaalsContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CD2 3.49Å; L76-Y80 PolarHBondContact O-N 3.07Å; L77-Y80 PolarHBondContact O-N 2.89Å
81C96.1Very high94.7Very high4 Ų451 Ų513%0.02726%0.255CS..THydrogen-bonded Turntrans-101.9-24.9-174.8-60.20000113.9L77 G117 I118L77-C81 WeakPolarHBondContact O-CA 3.22Å; L77-C81 WeakPolarHBondContact O-CB 3.41Å; L77-C81 PolarHBondContact O-N 3.16Å; C81-G117 PolarHBondContact O-N 3.11Å; C81-I118 WeakPolarHBondContact CB-O 3.12Å; C81-I118 PolarHBondContact O-N 3.44Å
82L94.7Very high94.5Very high36 Ų3648.2 Ų48.219%0.18824%0.243CC..BIsolated β-bridgetrans-87.1138.2173.1-57.6-178.4000110.1R78 N115 V116R78-L82 HydrophobicContact CB-CD1 4.17Å; R78-L82 HydrophobicContact CG-CD1 3.93Å; R78-L82 WeakPolarHBondContact O-CB 3.12Å; L82-N115 WeakPolarHBondContact CA-O 3.45Å; L82-V116 HydrophobicContact CD2-CB 4.45Å; L82-V116 HydrophobicContact CD2-CG2 3.88Å
83G91.4Very high94.2Very high19 Ų1947.3 Ų47.320%0.19624%0.241CC..SBendtrans172.6174.5-178.200000112.9K85 N115G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.46Å; G83-N115 PolarHBondContact N-O 3.49Å; G83-N115 VanDerWaalsContact N-O 3.07Å; G83-N115 PolarHBondContact O-ND2 2.97Å; G83-N115 PolarHBondContact O-OD1 3.2Å; G83-N115 VanDerWaalsContact O-OD1 3.14Å
84S90.4Very high93.7Very high84 Ų8452.8 Ų52.859%0.58727%0.267SS*.SBendtrans-79.5-6.4-178.4540000114.7P86S84-P86 WeakPolarHBondContact O-CD 3.4Å
85K91.5Very high93Very high52 Ų5251.3 Ų51.323%0.22626%0.262CS..PPolyproline II helixtrans-63.1123178.9178.1-175.1167.1-175.20109.7N49 V50 G83 G117N49-K85 VanDerWaalsContact OD1-CE 3.25Å; N49-K85 WeakPolarHBondContact OD1-CE 3.28Å; N49-K85 PolarHBondContact OD1-NZ 3.3Å; V50-K85 PolarHBondContact O-NZ 3.5Å; G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.46Å; K85-G117 WeakPolarHBondContact O-CA 3.48Å
86P92.4Very high92.5Very high95 Ų9555 Ų5562%0.61728%0.28SS*.PPolyproline II helixtrans-72.2139.3175.529.2-33.8000111.1S84 Q88S84-P86 WeakPolarHBondContact O-CD 3.4Å; P86-Q88 PolarHBondContact O-N 3.42Å
87V94Very high91.9Very high38 Ų3857.7 Ų57.723%0.2330%0.297CS..PPolyproline II helixtrans-70.2122.7171.7-179.90000109.2F89 Y109 V116 P119V87-F89 HydrophobicContact CG1-CD1 3.49Å; V87-F89 VanDerWaalsContact CG1-CD1 3.49Å; V87-F89 HydrophobicContact CG1-CD2 4.31Å; V87-F89 HydrophobicContact CG1-CE1 3.3Å; V87-F89 HydrophobicContact CG1-CE2 4.14Å; V87-F89 HydrophobicContact CG1-CG 4.01Å; V87-F89 HydrophobicContact CG1-CZ 3.65Å; V87-Y109 HydrophobicContact CB-CD2 4.08Å; V87-Y109 HydrophobicContact CG1-CD2 4Å; V87-Y109 HydrophobicContact CG1-CE2 4.03Å; V87-Y109 HydrophobicContact CG2-CD2 4.04Å; V87-Y109 HydrophobicContact CG2-CG 4.13Å; V87-V116 WeakPolarHBondContact CG2-O 3.45Å; V87-P119 HydrophobicContact CG1-CG 4.13Å; V87-P119 HydrophobicContact CG2-CG 3.71Å
88Q91.9Very high91.4Very high108 Ų10858.6 Ų58.651%0.50530%0.302SS..  trans-927.1-171.6-63.3-172.8-25.900114.4P86P86-Q88 PolarHBondContact O-N 3.42Å
89F94.6Very high91Very high7 Ų751.2 Ų51.23%0.03127%0.274CS..SBendtrans-124.7154.5178.767.6-94.1000110.9L11 D51 F52 V87 Y109 P119 F121 L167 R168 K169L11-F89 HydrophobicContact CD1-CB 4.19Å; L11-F89 HydrophobicContact CD1-CD1 4.29Å; L11-F89 HydrophobicContact CD1-CG 4.38Å; D51-F89 HydrophobicContact CB-CD1 4.05Å; D51-F89 HydrophobicContact CB-CE1 4.26Å; F52-F89 HydrophobicContact CB-CE1 4.1Å; F52-F89 HydrophobicContact CB-CZ 4.21Å; F52-F89 HydrophobicContact CD1-CD1 4.37Å; F52-F89 AromaticContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CZ 4Å; F52-F89 HydrophobicContact CG-CE1 4.42Å; F52-F89 HydrophobicContact CG-CZ 4.45Å; V87-F89 HydrophobicContact CG1-CD1 3.49Å; V87-F89 VanDerWaalsContact CG1-CD1 3.49Å; V87-F89 HydrophobicContact CG1-CD2 4.31Å; V87-F89 HydrophobicContact CG1-CE1 3.3Å; V87-F89 HydrophobicContact CG1-CE2 4.14Å; V87-F89 HydrophobicContact CG1-CG 4.01Å; V87-F89 HydrophobicContact CG1-CZ 3.65Å; F89-Y109 HydrophobicContact CE2-CE1 4.12Å; F89-Y109 HydrophobicContact CE2-CE2 4.5Å; F89-Y109 AromaticContact CE2-CZ 3.77Å; F89-Y109 VanDerWaalsContact CE2-OH 3.31Å; F89-Y109 WeakPolarHBondContact CE2-OH 3.45Å; F89-Y109 HydrophobicContact CZ-CE1 4.3Å; F89-P119 HydrophobicContact CE1-CG 4.24Å; F89-P119 HydrophobicContact CZ-CB 4.27Å; F89-P119 HydrophobicContact CZ-CG 3.91Å; F89-F121 HydrophobicContact CE2-CE2 4.39Å; F89-F121 HydrophobicContact CZ-CE2 4.14Å; F89-L167 HydrophobicContact CD2-CB 4.47Å; F89-L167 HydrophobicContact CD2-CD2 3.89Å; F89-L167 HydrophobicContact CE2-CD1 4.36Å; F89-L167 HydrophobicContact CE2-CD2 3.78Å; F89-R168 CarbonylContact C-O 3.59Å; F89-R168 VanDerWaalsContact CA-O 3.25Å; F89-R168 WeakPolarHBondContact CA-O 3.27Å; F89-R168 WeakPolarHBondContact CB-O 3.19Å; F89-K169 HydrophobicContact CB-CB 3.98Å
90E93.9Very high90.4Very high102 Ų10252.9 Ų52.948%0.47729%0.29SS..EExtended strand (participates in β ladder)trans-107.2143.4-178.2-62.4173.5174.400110.5L167 R168E90-L167 WeakPolarHBondContact O-CA 3.46Å; E90-R168 PolarHBondContact N-O 3.31Å; E90-R168 PolarHBondContact O-N 3.39Å; E90-R168 IonicContact OE2-CZ 2.72Å; E90-R168 VanDerWaalsContact OE2-CZ 3.31Å; E90-R168 IonicContact OE2-NE 3.99Å; E90-R168 PolarHBondContact OE2-NE 3.28Å; E90-R168 VanDerWaalsContact OE2-NE 3.17Å; E90-R168 IonicContact OE2-NH2 3.69Å; E90-R168 PolarHBondContact OE2-NH2 3.25Å
91L94.1Very high89.9Confident32 Ų3254.2 Ų54.217%0.16830%0.3CS..EExtended strand (participates in β ladder)trans-90.5115.5168.8-173.966.2000108.8S93 A95 A107 Y109 L110 V165 L167L91-S93 WeakPolarHBondContact CD1-OG 3.43Å; L91-A95 HydrophobicContact CD2-CB 4.07Å; L91-A107 HydrophobicContact CD2-CB 4.03Å; L91-Y109 WeakPolarHBondContact CB-OH 3.4Å; L91-L110 HydrophobicContact CB-CD1 4.44Å; L91-L110 HydrophobicContact CD2-CD1 4.09Å; L91-V165 HydrophobicContact CD1-CG1 3.54Å; L91-L167 HydrophobicContact CD1-CD2 3.69Å
92L92Very high89.4Confident59 Ų5954.6 Ų54.631%0.30930%0.302SS..  trans-94.7-22.9-179.6-62.6-179.9000112.9L166 R168 W208L92-L166 HydrophobicContact CB-CB 4.09Å; L92-L166 PolarHBondContact N-O 3.14Å; L92-R168 HydrophobicContact CD1-CB 3.65Å; L92-R168 HydrophobicContact CD1-CG 4.49Å; L92-R168 HydrophobicContact CG-CB 4.13Å; L92-W208 HydrophobicContact CD1-CH2 3.81Å
93S88.7Confident89Confident17 Ų1756.1 Ų56.112%0.11932%0.32CS..SBendtrans-79152.3177.945.40000112.1L91 A95 I98 L166L91-S93 WeakPolarHBondContact CD1-OG 3.43Å; S93-A95 PolarHBondContact O-N 2.66Å; S93-A95 VanDerWaalsContact O-N 3.1Å; S93-I98 VanDerWaalsContact CB-CD1 3.42Å; S93-I98 WeakPolarHBondContact OG-CD1 3.5Å; S93-L166 PolarHBondContact OG-N 3.38Å
94E86.6Confident88.8Confident116 Ų11659.9 Ų59.954%0.54233%0.331SS..  trans-70107.6175.8-68.4179.9-165.300111.1K96 T97 I98E94-K96 PolarHBondContact O-N 3.14Å; E94-K96 VanDerWaalsContact O-N 3.08Å; E94-T97 HydrophobicContact CB-CG2 4.2Å; E94-T97 PolarHBondContact O-N 2.7Å; E94-T97 PolarHBondContact O-OG1 3.19Å; E94-I98 PolarHBondContact O-N 2.9Å
95A83.9Confident88.7Confident18 Ų1860.3 Ų60.315%0.14932%0.323CS..Hα-helixtrans-52.7-34.3-179.800000112.7L91 S93 T97 I98 F99 H105L91-A95 HydrophobicContact CD2-CB 4.07Å; S93-A95 PolarHBondContact O-N 2.66Å; S93-A95 VanDerWaalsContact O-N 3.1Å; A95-T97 VanDerWaalsContact C-N 3.27Å; A95-T97 PolarHBondContact O-N 2.88Å; A95-I98 PolarHBondContact O-N 3.35Å; A95-F99 HydrophobicContact CB-CD2 3.99Å; A95-F99 HydrophobicContact CB-CE2 4.22Å; A95-F99 WeakPolarHBondContact O-CB 3.33Å; A95-F99 WeakPolarHBondContact O-CD2 3.23Å; A95-F99 PolarHBondContact O-N 2.98Å; A95-H105 CarbonylContact C-O 3.55Å; A95-H105 VanDerWaalsContact C-O 3.24Å; A95-H105 VanDerWaalsContact CB-O 3.3Å; A95-H105 WeakPolarHBondContact CB-O 3.34Å
96K84.7Confident88.6Confident160 Ų16061.1 Ų61.170%0.69633%0.333SS*.Hα-helixtrans-60.4-32.7177.9-67.6-175.2-179.7179.90114.2E94 A100 H105E94-K96 PolarHBondContact O-N 3.14Å; E94-K96 VanDerWaalsContact O-N 3.08Å; K96-A100 WeakPolarHBondContact O-CA 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 3.17Å; K96-H105 HydrophobicContact CG-CB 4.19Å; K96-H105 PolarHBondContact N-O 3.36Å
97T85.8Confident88.5Confident59 Ų5956.6 Ų56.636%0.36230%0.303SS..Hα-helixtrans-80.5-40.5-18060.70000111.3E94 A95 A100E94-T97 HydrophobicContact CB-CG2 4.2Å; E94-T97 PolarHBondContact O-N 2.7Å; E94-T97 PolarHBondContact O-OG1 3.19Å; A95-T97 VanDerWaalsContact C-N 3.27Å; A95-T97 PolarHBondContact O-N 2.88Å; T97-A100 WeakPolarHBondContact O-CB 3.44Å
98I85.9Confident88.5Confident21 Ų2155.1 Ų55.111%0.10829%0.294CS..Hα-helixtrans-68.4-44.5-179.4-68.2162.4000111.2S93 E94 A95 A100 F151 V165S93-I98 VanDerWaalsContact CB-CD1 3.42Å; S93-I98 WeakPolarHBondContact OG-CD1 3.5Å; E94-I98 PolarHBondContact O-N 2.9Å; A95-I98 PolarHBondContact O-N 3.35Å; I98-A100 VanDerWaalsContact C-N 3.34Å; I98-F151 HydrophobicContact CG2-CB 4.07Å; I98-V165 HydrophobicContact CD1-CB 4.2Å; I98-V165 HydrophobicContact CD1-CG1 4.2Å; I98-V165 HydrophobicContact CD1-CG2 4.01Å; I98-V165 HydrophobicContact CG1-CG2 4.37Å; I98-V165 HydrophobicContact CG2-CG2 3.76Å
99F87.6Confident88.6Confident1 Ų151.4 Ų51.40%0.00428%0.276CS..THydrogen-bonded Turntrans-98.420.7-177.3-56.5-59.3000111.9A95 N101 T102 A107 H143 N149 L150A95-F99 HydrophobicContact CB-CD2 3.99Å; A95-F99 HydrophobicContact CB-CE2 4.22Å; A95-F99 WeakPolarHBondContact O-CB 3.33Å; A95-F99 WeakPolarHBondContact O-CD2 3.23Å; A95-F99 PolarHBondContact O-N 2.98Å; F99-N101 PolarHBondContact O-N 3.01Å; F99-N101 VanDerWaalsContact O-N 3.15Å; F99-T102 PolarHBondContact O-N 3.36Å; F99-T102 VanDerWaalsContact O-N 3.13Å; F99-T102 PolarHBondContact O-OG1 2.98Å; F99-A107 HydrophobicContact CE2-CB 3.96Å; F99-A107 HydrophobicContact CZ-CB 4.34Å; F99-H143 AromaticContact CD1-CE1 3.78Å; F99-N149 HydrophobicContact CE1-CB 3.91Å; F99-N149 HydrophobicContact CZ-CB 3.94Å; F99-L150 VanDerWaalsContact CD1-O 3.28Å; F99-L150 WeakPolarHBondContact CD1-O 3.43Å; F99-L150 WeakPolarHBondContact CE1-O 3.47Å
100A83.3Confident88.5Confident55 Ų5556 Ų5646%0.45530%0.3SS..THydrogen-bonded Turntrans-59.1-28.7-17900000113K96 T97 I98K96-A100 WeakPolarHBondContact O-CA 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 3.17Å; T97-A100 WeakPolarHBondContact O-CB 3.44Å; I98-A100 VanDerWaalsContact C-N 3.34Å
101N83.3Confident88.4Confident56 Ų5653.2 Ų53.230%0.29929%0.289SS..THydrogen-bonded Turntrans-9612.9-177.4-63.9-32.9000113.4F99 K153 S155F99-N101 PolarHBondContact O-N 3.01Å; F99-N101 VanDerWaalsContact O-N 3.15Å; N101-K153 HydrophobicContact CB-CB 4.35Å; N101-K153 HydrophobicContact CB-CD 4.07Å; N101-K153 HydrophobicContact CB-CG 4.16Å; N101-K153 PolarHBondContact ND2-O 3.3Å; N101-K153 PolarHBondContact O-NZ 3.4Å; N101-S155 PolarHBondContact ND2-N 2.87Å
102T87.5Confident88.2Confident11 Ų1155.6 Ų55.67%0.06732%0.32CS..SBendtrans-122.7162.8175.870.30000110.3F99 F104 H105 H143 L150F99-T102 PolarHBondContact O-N 3.36Å; F99-T102 VanDerWaalsContact O-N 3.13Å; F99-T102 PolarHBondContact O-OG1 2.98Å; T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 2.91Å; T102-F104 PolarHBondContact OG1-O 3.21Å; T102-H105 PolarHBondContact O-CD2 3.45Å; T102-H143 WeakPolarHBondContact CB-CD2 3.43Å; T102-H143 WeakPolarHBondContact CB-NE2 3.4Å; T102-H143 PolarHBondContact OG1-CD2 3.4Å; T102-H143 PolarHBondContact OG1-NE2 3.46Å; T102-L150 HydrophobicContact CG2-CB 4.32Å; T102-L150 HydrophobicContact CG2-CD2 4.32Å
103A84.7Confident88.3Confident69 Ų6959.9 Ų59.957%0.5734%0.344SS*.SBendtrans-70.3-26.4-177.300000113.8
104F87.1Confident88.5Confident97 Ų9761.8 Ų61.843%0.42535%0.352SS..  trans-115.9112.1-178.6-74.8-86.7000110.1T102 T106 H143 T144T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 2.91Å; T102-F104 PolarHBondContact OG1-O 3.21Å; F104-T106 PolarHBondContact O-N 3.34Å; F104-T106 VanDerWaalsContact O-N 3.09Å; F104-H143 PolarHBondContact O-NE2 3.48Å; F104-H143 VanDerWaalsContact O-NE2 3.09Å; F104-T144 HydrophobicContact CD2-CG2 4.08Å; F104-T144 HydrophobicContact CE2-CG2 3.64Å
105H88.7Confident88.9Confident93 Ų9361.1 Ų61.143%0.43135%0.352SS..  trans-83.319.4-171.4-43.6123.8000114.4A95 K96 T102A95-H105 CarbonylContact C-O 3.55Å; A95-H105 VanDerWaalsContact C-O 3.24Å; A95-H105 VanDerWaalsContact CB-O 3.3Å; A95-H105 WeakPolarHBondContact CB-O 3.34Å; K96-H105 HydrophobicContact CG-CB 4.19Å; K96-H105 PolarHBondContact N-O 3.36Å; T102-H105 PolarHBondContact O-CD2 3.45Å
106T88.8Confident89.4Confident69 Ų6960.5 Ų60.542%0.42335%0.347SS..SBendtrans-128.2143.8-174.351.50000110F104F104-T106 PolarHBondContact O-N 3.34Å; F104-T106 VanDerWaalsContact O-N 3.09Å
107A91.9Very high89.9Confident0 Ų053.1 Ų53.10%032%0.316CS..  trans-64.5139.517100000110L91 F99 Y109 L110 N149L91-A107 HydrophobicContact CD2-CB 4.03Å; F99-A107 HydrophobicContact CE2-CB 3.96Å; F99-A107 HydrophobicContact CZ-CB 4.34Å; A107-Y109 VanDerWaalsContact C-N 3.27Å; A107-Y109 HydrophobicContact CB-CD1 3.97Å; A107-Y109 HydrophobicContact CB-CE1 3.61Å; A107-Y109 PolarHBondContact O-N 2.91Å; A107-L110 HydrophobicContact CB-CD1 4.13Å; A107-L110 HydrophobicContact CB-CG 4.3Å; A107-L110 WeakPolarHBondContact O-CB 3.33Å; A107-L110 PolarHBondContact O-N 3.14Å; A107-N149 WeakPolarHBondContact CA-OD1 3.47Å
108N93.8Very high90.4Very high8 Ų850.7 Ų50.74%0.04330%0.301CS..G310 helixtrans-60.2-32.2-170.268.7-19.5000114.5L110 D111 V116 G146 N149N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.02Å; N108-D111 WeakPolarHBondContact O-CB 3.42Å; N108-D111 PolarHBondContact O-N 3.21Å; N108-V116 HydrophobicContact CB-CG2 4.33Å; N108-G146 WeakPolarHBondContact CB-O 3.44Å; N108-G146 PolarHBondContact ND2-O 2.86Å; N108-N149 PolarHBondContact N-OD1 3.49Å; N108-N149 PolarHBondContact OD1-ND2 3.03Å; N108-N149 PolarHBondContact OD1-OD1 2.92Å
109Y93.1Very high90.9Very high30 Ų3049.7 Ų49.712%0.11830%0.296CS..G310 helixtrans-80.3-6.5178.669-88.4000113.9V87 F89 L91 A107 P119 F121V87-Y109 HydrophobicContact CB-CD2 4.08Å; V87-Y109 HydrophobicContact CG1-CD2 4Å; V87-Y109 HydrophobicContact CG1-CE2 4.03Å; V87-Y109 HydrophobicContact CG2-CD2 4.04Å; V87-Y109 HydrophobicContact CG2-CG 4.13Å; F89-Y109 HydrophobicContact CE2-CE1 4.12Å; F89-Y109 HydrophobicContact CE2-CE2 4.5Å; F89-Y109 AromaticContact CE2-CZ 3.77Å; F89-Y109 VanDerWaalsContact CE2-OH 3.31Å; F89-Y109 WeakPolarHBondContact CE2-OH 3.45Å; F89-Y109 HydrophobicContact CZ-CE1 4.3Å; L91-Y109 WeakPolarHBondContact CB-OH 3.4Å; A107-Y109 VanDerWaalsContact C-N 3.27Å; A107-Y109 HydrophobicContact CB-CD1 3.97Å; A107-Y109 HydrophobicContact CB-CE1 3.61Å; A107-Y109 PolarHBondContact O-N 2.91Å; Y109-P119 HydrophobicContact CD1-CB 3.85Å; Y109-P119 HydrophobicContact CD1-CG 3.61Å; Y109-P119 HydrophobicContact CE1-CB 4.39Å; Y109-P119 HydrophobicContact CE1-CG 4.27Å; Y109-P119 HydrophobicContact CG-CG 3.85Å; Y109-F121 HydrophobicContact CE1-CZ 4.25Å
110L92.6Very high91.4Very high103 Ų10349.7 Ų49.754%0.53930%0.295SS..G310 helixtrans-95.9-2.4171.2-60.7177.3000111.9L91 A107 N108 G112L91-L110 HydrophobicContact CB-CD1 4.44Å; L91-L110 HydrophobicContact CD2-CD1 4.09Å; A107-L110 HydrophobicContact CB-CD1 4.13Å; A107-L110 HydrophobicContact CB-CG 4.3Å; A107-L110 WeakPolarHBondContact O-CB 3.33Å; A107-L110 PolarHBondContact O-N 3.14Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.02Å; L110-G112 PolarHBondContact O-N 3.26Å
111D91.7Very high92.1Very high44 Ų4447 Ų4724%0.23527%0.274CS..  trans-70.8125.2175.2-167.8-40.9000110N108 N113 L114N108-D111 WeakPolarHBondContact O-CB 3.42Å; N108-D111 PolarHBondContact O-N 3.21Å; D111-N113 PolarHBondContact O-N 2.85Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.35Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-N113 PolarHBondContact OD1-ND2 3.24Å; D111-N113 VanDerWaalsContact OD1-ND2 3.09Å; D111-L114 HydrophobicContact CB-CB 4.2Å; D111-L114 HydrophobicContact CB-CD1 4.35Å; D111-L114 HydrophobicContact CB-CG 4.39Å; D111-L114 PolarHBondContact O-N 3.42Å
112G90.8Very high92.8Very high81 Ų8144.4 Ų44.484%0.83526%0.26SS*.THydrogen-bonded Turntrans-65-14.8179.800000114.5L110L110-G112 PolarHBondContact O-N 3.26Å
113N93.4Very high93.2Very high149 Ų14943.9 Ų43.980%0.79726%0.256SS*.THydrogen-bonded Turntrans-101.7-10.2-177.9-52.2-68.8000113.4D111D111-N113 PolarHBondContact O-N 2.85Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.35Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-N113 PolarHBondContact OD1-ND2 3.24Å; D111-N113 VanDerWaalsContact OD1-ND2 3.09Å
114L92.9Very high93.7Very high58 Ų5841 Ų4130%0.30423%0.231SC..  trans-122123-174.9-62176.5000111D111 V116D111-L114 HydrophobicContact CB-CB 4.2Å; D111-L114 HydrophobicContact CB-CD1 4.35Å; D111-L114 HydrophobicContact CB-CG 4.39Å; D111-L114 PolarHBondContact O-N 3.42Å; L114-V116 HydrophobicContact CB-CG2 4.28Å; L114-V116 PolarHBondContact O-N 2.99Å
115N94.6Very high94.2Very high101 Ų10136.4 Ų36.454%0.5421%0.211SC..  trans-9391.1174.4-159.88.3000110.5L82 G83L82-N115 WeakPolarHBondContact CA-O 3.45Å; G83-N115 PolarHBondContact N-O 3.49Å; G83-N115 VanDerWaalsContact N-O 3.07Å; G83-N115 PolarHBondContact O-ND2 2.97Å; G83-N115 PolarHBondContact O-OD1 3.2Å; G83-N115 VanDerWaalsContact O-OD1 3.14Å
116V95.7Very high94.5Very high6 Ų634.6 Ų34.64%0.03621%0.205CC..BIsolated β-bridgetrans-93.1114.3-179.9-177.60000109.2L82 V87 N108 L114 P119L82-V116 HydrophobicContact CD2-CB 4.45Å; L82-V116 HydrophobicContact CD2-CG2 3.88Å; V87-V116 WeakPolarHBondContact CG2-O 3.45Å; N108-V116 HydrophobicContact CB-CG2 4.33Å; L114-V116 HydrophobicContact CB-CG2 4.28Å; L114-V116 PolarHBondContact O-N 2.99Å; V116-P119 HydrophobicContact CG1-CG 4.25Å
117G94Very high94.7Very high4 Ų434.3 Ų34.34%0.04120%0.198CC..SBendtrans-86.1-32.8178.900000114C81 K85C81-G117 PolarHBondContact O-N 3.11Å; K85-G117 WeakPolarHBondContact O-CA 3.48Å
118I96.8Very high94.7Very high9 Ų934.3 Ų34.35%0.04620%0.198CC..SBendtrans-132.2100.5176.1-54.5178.5000108.3V46 V50 I53 C81V46-I118 HydrophobicContact CG2-CD1 3.9Å; V50-I118 HydrophobicContact CG2-CG2 4.05Å; I53-I118 HydrophobicContact CD1-CG2 4.26Å; I53-I118 HydrophobicContact CG1-CG2 3.91Å; C81-I118 WeakPolarHBondContact CB-O 3.12Å; C81-I118 PolarHBondContact O-N 3.44Å
119P97.3Very high94.6Very high0 Ų037 Ų370%021%0.213CC..  trans-61.1146.5173.9-23.435.4000111.4D51 F52 I53 V87 F89 Y109 V116 F121D51-P119 WeakPolarHBondContact O-CD 3.24Å; F52-P119 CarbonylContact C-O 3.58Å; F52-P119 VanDerWaalsContact CA-O 3.24Å; F52-P119 WeakPolarHBondContact CA-O 3.44Å; F52-P119 HydrophobicContact CB-CB 4.26Å; F52-P119 WeakPolarHBondContact CB-O 3.47Å; I53-P119 PolarHBondContact N-O 2.75Å; V87-P119 HydrophobicContact CG1-CG 4.13Å; V87-P119 HydrophobicContact CG2-CG 3.71Å; F89-P119 HydrophobicContact CE1-CG 4.24Å; F89-P119 HydrophobicContact CZ-CB 4.27Å; F89-P119 HydrophobicContact CZ-CG 3.91Å; Y109-P119 HydrophobicContact CD1-CB 3.85Å; Y109-P119 HydrophobicContact CD1-CG 3.61Å; Y109-P119 HydrophobicContact CE1-CB 4.39Å; Y109-P119 HydrophobicContact CE1-CG 4.27Å; Y109-P119 HydrophobicContact CG-CG 3.85Å; V116-P119 HydrophobicContact CG1-CG 4.25Å; P119-F121 HydrophobicContact CB-CE2 4.11Å
120V97.9Very high94.5Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-118125.9174.5-179.60000107.6I53 F55 L77 I148 N149I53-V120 HydrophobicContact CB-CG1 4.37Å; I53-V120 HydrophobicContact CB-CG2 4.19Å; I53-V120 HydrophobicContact CD1-CG2 4.25Å; I53-V120 CarbonylContact O-C 3.52Å; I53-V120 WeakPolarHBondContact O-CA 3.24Å; F55-V120 HydrophobicContact CD2-CG1 3.39Å; F55-V120 HydrophobicContact CE2-CG1 3.47Å; F55-V120 VanDerWaalsContact CE2-CG1 3.47Å; L77-V120 HydrophobicContact CD2-CG2 4.15Å; V120-I148 HydrophobicContact CB-CB 4.28Å; V120-I148 HydrophobicContact CB-CG2 3.95Å; V120-I148 HydrophobicContact CG1-CB 4.31Å; V120-I148 HydrophobicContact CG1-CG2 3.84Å; V120-I148 CarbonylContact O-C 3.51Å; V120-N149 WeakPolarHBondContact O-CB 3.44Å; V120-N149 PolarHBondContact O-N 2.74Å; V120-N149 PolarHBondContact O-ND2 2.86Å; V120-N149 VanDerWaalsContact O-ND2 3.11Å
121F97.5Very high94.3Very high0 Ų034.4 Ų34.40%021%0.207CC..EExtended strand (participates in β ladder)trans-108.4137.7172.3-71.2-90.6000109F52 I53 L54 F55 F89 Y109 P119 N149 F151 V165 L167 L176F52-F121 HydrophobicContact CB-CD2 4.25Å; F52-F121 HydrophobicContact CB-CE2 4.37Å; F52-F121 AromaticContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CE2 4.37Å; F52-F121 HydrophobicContact CE2-CD2 4.25Å; F52-F121 HydrophobicContact CG-CD2 4.08Å; F52-F121 HydrophobicContact CG-CE2 4.3Å; I53-F121 PolarHBondContact O-N 3.45Å; L54-F121 CarbonylContact C-O 3.53Å; L54-F121 WeakPolarHBondContact CA-O 3.4Å; L54-F121 HydrophobicContact CD1-CB 4.14Å; F55-F121 PolarHBondContact N-O 2.8Å; F89-F121 HydrophobicContact CE2-CE2 4.39Å; F89-F121 HydrophobicContact CZ-CE2 4.14Å; Y109-F121 HydrophobicContact CE1-CZ 4.25Å; P119-F121 HydrophobicContact CB-CE2 4.11Å; F121-N149 WeakPolarHBondContact CA-O 3.35Å; F121-N149 HydrophobicContact CD1-CB 3.65Å; F121-N149 HydrophobicContact CE1-CB 3.81Å; F121-N149 HydrophobicContact CG-CB 4.26Å; F121-F151 HydrophobicContact CB-CD1 4.15Å; F121-F151 HydrophobicContact CB-CE1 3.85Å; F121-F151 HydrophobicContact CD1-CD1 4.37Å; F121-V165 HydrophobicContact CE1-CG1 4.08Å; F121-L167 HydrophobicContact CZ-CD2 4.49Å; F121-L176 HydrophobicContact CB-CD2 4.39Å; F121-L176 HydrophobicContact CG-CD2 4.48Å
122T97.2Very high93.9Very high0 Ų034.4 Ų34.40%022%0.217CC..EExtended strand (participates in β ladder)trans-148149.1179.3-171.10000112.6F55 I59 A139 I148 N149 L150 F151F55-T122 WeakPolarHBondContact CB-OG1 3.47Å; F55-T122 VanDerWaalsContact O-CA 3.25Å; F55-T122 WeakPolarHBondContact O-CA 3.28Å; F55-T122 PolarHBondContact O-OG1 3.47Å; F55-T122 VanDerWaalsContact O-OG1 3.05Å; I59-T122 HydrophobicContact CD1-CG2 4.06Å; I59-T122 WeakPolarHBondContact CD1-OG1 3.48Å; T122-A139 HydrophobicContact CG2-CB 4.47Å; T122-I148 HydrophobicContact CG2-CB 4.48Å; T122-I148 HydrophobicContact CG2-CD1 3.4Å; T122-I148 VanDerWaalsContact CG2-CD1 3.4Å; T122-I148 HydrophobicContact CG2-CG1 4.4Å; T122-N149 PolarHBondContact N-O 3.46Å; T122-L150 HydrophobicContact CG2-CD1 4.24Å; T122-L150 WeakPolarHBondContact O-CA 3.25Å; T122-L150 WeakPolarHBondContact O-CD1 3.41Å; T122-F151 WeakPolarHBondContact O-CD1 3.41Å; T122-F151 PolarHBondContact O-N 3.16Å
123I96.8Very high93.6Very high0 Ų036.7 Ų36.70%022%0.217CC..  trans-101158.1161.960.9167.8000108.6F55 G57 F151 L179 T213 H215F55-I123 PolarHBondContact O-N 3.5Å; G57-I123 VanDerWaalsContact CA-O 3.27Å; G57-I123 WeakPolarHBondContact CA-O 3.48Å; G57-I123 PolarHBondContact N-O 3.39Å; I123-F151 HydrophobicContact CG2-CD1 4.3Å; I123-F151 HydrophobicContact CG2-CD2 4.46Å; I123-F151 HydrophobicContact CG2-CE1 3.89Å; I123-F151 HydrophobicContact CG2-CE2 4.1Å; I123-F151 HydrophobicContact CG2-CZ 3.78Å; I123-L179 WeakPolarHBondContact CD1-O 3.46Å; I123-T213 HydrophobicContact CD1-CG2 3.72Å; I123-T213 HydrophobicContact CG1-CG2 4.09Å; I123-H215 HydrophobicContact CD1-CB 3.91Å
124H95.8Very high93Very high9 Ų933.1 Ų33.14%0.04222%0.216CC..  trans-80.7144169.46785.2000110.8D128 P130 G180 S181H124-D128 WeakPolarHBondContact CB-O 3.49Å; H124-P130 WeakPolarHBondContact ND1-CD 3.15Å; H124-G180 WeakPolarHBondContact O-CA 3.47Å; H124-S181 PolarHBondContact CE1-N 3Å; H124-S181 PolarHBondContact CE1-O 3.17Å; H124-S181 VanDerWaalsContact CE1-O 3.31Å; H124-S181 PolarHBondContact ND1-N 3.5Å; H124-S181 PolarHBondContact O-N 3.12Å
125G96Very high92.8Very high0 Ų031.7 Ų31.70%022%0.215CC..  trans-93.8-160.3169.600000112.4D58 D128 S181 H215D58-G125 VanDerWaalsContact OD1-C 3.26Å; D58-G125 WeakPolarHBondContact OD1-CA 3.39Å; G125-D128 VanDerWaalsContact CA-OD1 3.28Å; G125-D128 WeakPolarHBondContact CA-OD1 3.44Å; G125-D128 PolarHBondContact N-OD1 2.83Å; G125-S181 VanDerWaalsContact O-CB 3.28Å; G125-S181 WeakPolarHBondContact O-CB 3.29Å; G125-H215 WeakPolarHBondContact CA-CD2 3.39Å
126N95.1Very high92.6Very high56 Ų5631.2 Ų31.230%0.29921%0.212SC..SBendtrans-89.2-19.3-178.462-75.1000113.3D58 H215 H243D58-N126 PolarHBondContact OD1-N 3.35Å; D58-N126 PolarHBondContact OD2-OD1 3.08Å; N126-H215 PolarHBondContact OD1-CD2 2.8Å; N126-H215 PolarHBondContact OD1-NE2 2.88Å; N126-H243 PolarHBondContact OD1-CE1 3.2Å; N126-H243 VanDerWaalsContact OD1-CE1 3.31Å; N126-H243 PolarHBondContact OD1-ND1 2.96Å
127H94Very high92.5Very high63 Ų6331.1 Ų31.129%0.29221%0.212SC..SBendtrans-87.5-32.2173.8-79.6-102.9000112.5H20 D58 F60 H61 E62 S63H20-H127 AromaticContact CE1-CD2 3.55Å; H20-H127 AromaticContact CE1-CG 3.8Å; H20-H127 AromaticContact CE1-NE2 3.86Å; D58-H127 PolarHBondContact OD1-N 3.01Å; D58-H127 IonicContact OD2-CD2 2.77Å; D58-H127 PolarHBondContact OD2-CD2 2.97Å; D58-H127 IonicContact OD2-CG 3.2Å; F60-H127 WeakPolarHBondContact O-CB 3.43Å; H61-H127 AromaticContact CE1-CE1 3.75Å; H61-H127 AromaticContact ND1-CE1 3.92Å; H61-H127 AromaticContact ND1-ND1 3.85Å; H61-H127 PolarHBondContact O-ND1 2.75Å; E62-H127 CarbonylContact C-O 3.54Å; S63-H127 WeakPolarHBondContact CA-O 3.41Å; S63-H127 VanDerWaalsContact CB-O 3.24Å; S63-H127 WeakPolarHBondContact CB-O 3.49Å; S63-H127 PolarHBondContact N-O 3.17Å
128D91.5Very high92.5Very high0 Ų031 Ų310%021%0.21CC..SBendtrans-10541.5174.456.52.7000111.8D58 I59 F60 H124 G125 C137 A138D58-D128 PolarHBondContact N-OD1 2.89Å; I59-D128 PolarHBondContact N-OD2 3Å; F60-D128 HydrophobicContact CB-CB 4.48Å; H124-D128 WeakPolarHBondContact CB-O 3.49Å; G125-D128 VanDerWaalsContact CA-OD1 3.28Å; G125-D128 WeakPolarHBondContact CA-OD1 3.44Å; G125-D128 PolarHBondContact N-OD1 2.83Å; D128-C137 WeakPolarHBondContact O-CB 3.43Å; D128-A138 HydrophobicContact CB-CB 4.4Å
129D92.2Very high92.3Very high64 Ų6430.6 Ų30.634%0.34221%0.208SC..  trans-70.3149.5179.970-39.1000113.1S131D129-S131 PolarHBondContact O-N 3.21Å; D129-S131 VanDerWaalsContact O-N 3.14Å
130P91.8Very high92.2Very high44 Ų4430.8 Ų30.829%0.28621%0.209SC..  trans-58115.9172-26.535.6000111.4H124 C137H124-P130 WeakPolarHBondContact ND1-CD 3.15Å; P130-C137 HydrophobicContact CG-CB 4.32Å
131S87.5Confident92Very high35 Ų3534.6 Ų34.625%0.24523%0.229CC..BIsolated β-bridgetrans-141.7152.2-17768.10000113.1D129 L136D129-S131 PolarHBondContact O-N 3.21Å; D129-S131 VanDerWaalsContact O-N 3.14Å; S131-L136 PolarHBondContact N-O 3.09Å
132G83.9Confident91.9Very high44 Ų4434.6 Ų34.645%0.45423%0.229SC..THydrogen-bonded Turntrans80.7-173.6179.500000114.8G134 G135G132-G134 PolarHBondContact O-N 3.06Å; G132-G135 PolarHBondContact O-N 2.97Å; G132-G135 VanDerWaalsContact O-N 3.15Å
133P83.3Confident91.8Very high128 Ų12834.9 Ų34.983%0.83123%0.231SC*.THydrogen-bonded Turntrans-62.3133.5-177.826.5-33.5000110.6G135P133-G135 VanDerWaalsContact C-N 3.3Å; P133-G135 PolarHBondContact O-N 3.22Å
134G82.2Confident91.7Very high75 Ų7537.9 Ų37.977%0.77325%0.249SC*.THydrogen-bonded Turntrans81.6-1.6-17700000115.2G132 L136G132-G134 PolarHBondContact O-N 3.06Å; G134-L136 VanDerWaalsContact C-N 3.32Å; G134-L136 PolarHBondContact O-N 3.23Å
135G87.3Confident91.6Very high28 Ų2839.6 Ų39.629%0.28927%0.265SS..THydrogen-bonded Turntrans58.944.4177.800000112.1G132 P133 K153G132-G135 PolarHBondContact O-N 2.97Å; G132-G135 VanDerWaalsContact O-N 3.15Å; P133-G135 VanDerWaalsContact C-N 3.3Å; P133-G135 PolarHBondContact O-N 3.22Å; G135-K153 WeakPolarHBondContact O-CE 3.48Å; G135-K153 PolarHBondContact O-NZ 2.87Å
136L91.4Very high91.6Very high90 Ų9040 Ų4047%0.47127%0.269SS..BIsolated β-bridgetrans-87.5142.3178.7-62.9175.5000110.1S131 G134 D140S131-L136 PolarHBondContact N-O 3.09Å; G134-L136 VanDerWaalsContact C-N 3.32Å; G134-L136 PolarHBondContact O-N 3.23Å; L136-D140 WeakPolarHBondContact CA-OD2 3.39Å; L136-D140 HydrophobicContact CD2-CB 4.16Å
137C92.9Very high91.7Very high5 Ų538 Ų383%0.03426%0.258CS..  trans-113.7170.2167.964.30000111.7D128 P130 A139 D140D128-C137 WeakPolarHBondContact O-CB 3.43Å; P130-C137 HydrophobicContact CG-CB 4.32Å; C137-A139 PolarHBondContact O-N 3.28Å; C137-D140 PolarHBondContact N-OD2 3.34Å; C137-D140 WeakPolarHBondContact O-CB 3.42Å; C137-D140 PolarHBondContact O-N 3.31Å; C137-D140 PolarHBondContact SG-N 3.3Å; C137-D140 VanDerWaalsContact SG-N 3.44Å; C137-D140 PolarHBondContact SG-OD2 2.96Å
138A93.5Very high91.8Very high2 Ų235 Ų352%0.01724%0.244CC..Hα-helixtrans-58.8-32.8175.200000112.4F60 P65 D128 L141F60-A138 HydrophobicContact CD2-CB 3.4Å; F60-A138 HydrophobicContact CE2-CB 3.72Å; F60-A138 HydrophobicContact CG-CB 4.18Å; P65-A138 HydrophobicContact CG-CB 3.87Å; D128-A138 HydrophobicContact CB-CB 4.4Å; A138-L141 WeakPolarHBondContact O-CB 3.18Å; A138-L141 PolarHBondContact O-N 3.05Å
139A94.1Very high92Very high0 Ų035 Ų350%024%0.244CC..Hα-helixtrans-68.4-31.8174.900000112.9T122 C137 L141 L142 H143 I148 L150T122-A139 HydrophobicContact CG2-CB 4.47Å; C137-A139 PolarHBondContact O-N 3.28Å; A139-L141 PolarHBondContact O-N 3.3Å; A139-L142 PolarHBondContact O-N 3.47Å; A139-H143 WeakPolarHBondContact O-CB 3.49Å; A139-H143 PolarHBondContact O-N 2.93Å; A139-I148 HydrophobicContact CB-CD1 3.91Å; A139-I148 WeakPolarHBondContact O-CD1 3.32Å; A139-L150 HydrophobicContact CB-CD1 3.97Å; A139-L150 HydrophobicContact CB-CD2 4.18Å
140D94Very high92.2Very high4 Ų432 Ų322%0.02123%0.228CC..Hα-helixtrans-59.5-36.9173.9-76.9-58.8000111.5L136 C137 H143 T144 L150 K153L136-D140 WeakPolarHBondContact CA-OD2 3.39Å; L136-D140 HydrophobicContact CD2-CB 4.16Å; C137-D140 PolarHBondContact N-OD2 3.34Å; C137-D140 WeakPolarHBondContact O-CB 3.42Å; C137-D140 PolarHBondContact O-N 3.31Å; C137-D140 PolarHBondContact SG-N 3.3Å; C137-D140 VanDerWaalsContact SG-N 3.44Å; C137-D140 PolarHBondContact SG-OD2 2.96Å; D140-H143 PolarHBondContact O-N 3.33Å; D140-T144 VanDerWaalsContact O-CB 3.3Å; D140-T144 WeakPolarHBondContact O-CB 3.38Å; D140-T144 PolarHBondContact O-N 3Å; D140-T144 PolarHBondContact O-OG1 2.91Å; D140-L150 VanDerWaalsContact OD1-CD2 3.29Å; D140-L150 WeakPolarHBondContact OD1-CD2 3.35Å; D140-K153 IonicContact OD1-NZ 2.84Å; D140-K153 PolarHBondContact OD1-NZ 3.5Å; D140-K153 IonicContact OD2-NZ 3.47Å; D140-K153 PolarHBondContact OD2-NZ 3.32Å
141L94.1Very high92.3Very high80 Ų8030 Ų3042%0.41922%0.215SC..Hα-helixtrans-64.9-42.3177.6-60.1178.7000111.8L70 A138 A139 A145L70-L141 HydrophobicContact CD2-CD1 4.14Å; A138-L141 WeakPolarHBondContact O-CB 3.18Å; A138-L141 PolarHBondContact O-N 3.05Å; A139-L141 PolarHBondContact O-N 3.3Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.45Å
142L96Very high92.5Very high0 Ų029 Ų290%021%0.21CC..Hα-helixtrans-69.4-35.3177.3-62.8178.9000111.7F60 L70 V73 M74 L77 A139 A145 G146 L147 I148F60-L142 HydrophobicContact CE2-CD1 3.71Å; F60-L142 HydrophobicContact CE2-CG 4.31Å; F60-L142 HydrophobicContact CZ-CD1 3.91Å; F60-L142 HydrophobicContact CZ-CG 4.4Å; L70-L142 HydrophobicContact CD1-CD2 4.02Å; V73-L142 HydrophobicContact CG1-CD1 3.86Å; V73-L142 HydrophobicContact CG1-CD2 4.2Å; M74-L142 HydrophobicContact CE-CD2 3.93Å; M74-L142 HydrophobicContact CG-CD2 3.53Å; L77-L142 HydrophobicContact CD1-CD1 4.35Å; A139-L142 PolarHBondContact O-N 3.47Å; L142-A145 PolarHBondContact O-N 3.19Å; L142-G146 PolarHBondContact O-N 3.41Å; L142-L147 HydrophobicContact CD2-CD1 4.47Å; L142-L147 PolarHBondContact O-N 3.36Å; L142-I148 HydrophobicContact CB-CD1 3.61Å; L142-I148 HydrophobicContact CB-CG1 3.55Å; L142-I148 HydrophobicContact CB-CG2 4.33Å; L142-I148 HydrophobicContact CD1-CD1 4.15Å
143H95Very high92.8Very high6 Ų628.3 Ų28.33%0.02820%0.195CC..Hα-helixtrans-67.2-45.2175.5179.872.3000111.4F99 T102 F104 A139 D140 A145 G146 I148 N149 L150F99-H143 AromaticContact CD1-CE1 3.78Å; T102-H143 WeakPolarHBondContact CB-CD2 3.43Å; T102-H143 WeakPolarHBondContact CB-NE2 3.4Å; T102-H143 PolarHBondContact OG1-CD2 3.4Å; T102-H143 PolarHBondContact OG1-NE2 3.46Å; F104-H143 PolarHBondContact O-NE2 3.48Å; F104-H143 VanDerWaalsContact O-NE2 3.09Å; A139-H143 WeakPolarHBondContact O-CB 3.49Å; A139-H143 PolarHBondContact O-N 2.93Å; D140-H143 PolarHBondContact O-N 3.33Å; H143-A145 PolarHBondContact O-N 2.57Å; H143-G146 WeakPolarHBondContact O-CA 3.38Å; H143-G146 PolarHBondContact O-N 3Å; H143-I148 WeakPolarHBondContact CA-O 3.45Å; H143-I148 HydrophobicContact CB-CG1 4.08Å; H143-I148 PolarHBondContact ND1-O 3.3Å; H143-N149 WeakPolarHBondContact ND1-CA 3.38Å; H143-L150 HydrophobicContact CB-CB 4.16Å; H143-L150 PolarHBondContact ND1-N 3.04Å
144T93.9Very high93.1Very high63 Ų6324.2 Ų24.239%0.38716%0.164SC..Hα-helixtrans-60.3-33.4174.9-56.70000111.7F104 D140 G146F104-T144 HydrophobicContact CD2-CG2 4.08Å; F104-T144 HydrophobicContact CE2-CG2 3.64Å; D140-T144 VanDerWaalsContact O-CB 3.3Å; D140-T144 WeakPolarHBondContact O-CB 3.38Å; D140-T144 PolarHBondContact O-N 3Å; D140-T144 PolarHBondContact O-OG1 2.91Å; T144-G146 PolarHBondContact O-N 3.2Å
145A94.9Very high93.2Very high45 Ų4525.6 Ų25.637%0.37216%0.162SC..THydrogen-bonded Turntrans-76-2.1173.500000114.2M74 L141 L142 H143 L147M74-A145 HydrophobicContact CE-CB 4.27Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.45Å; L142-A145 PolarHBondContact O-N 3.19Å; H143-A145 PolarHBondContact O-N 2.57Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 HydrophobicContact CB-CD1 4.23Å; A145-L147 HydrophobicContact CB-CG 4.12Å; A145-L147 PolarHBondContact O-N 3.14Å
146G95Very high93.1Very high9 Ų926.8 Ų26.89%0.09317%0.166CC..THydrogen-bonded Turntrans74.714.9-179.100000114.7N108 L142 H143 T144N108-G146 WeakPolarHBondContact CB-O 3.44Å; N108-G146 PolarHBondContact ND2-O 2.86Å; L142-G146 PolarHBondContact O-N 3.41Å; H143-G146 WeakPolarHBondContact O-CA 3.38Å; H143-G146 PolarHBondContact O-N 3Å; T144-G146 PolarHBondContact O-N 3.2Å
147L96.4Very high92.9Very high12 Ų1226.4 Ų26.46%0.06317%0.167CC..SBendtrans-91.6-26.5-174.9-57.9178.6000113.2M74 L77 R78 L142 A145M74-L147 HydrophobicContact CB-CD1 3.88Å; M74-L147 HydrophobicContact CG-CD1 3.78Å; L77-L147 HydrophobicContact CB-CB 4.28Å; L77-L147 HydrophobicContact CB-CD1 4.36Å; L77-L147 HydrophobicContact CD1-CB 4.02Å; R78-L147 HydrophobicContact CG-CD1 4.37Å; R78-L147 HydrophobicContact CG-CD2 3.5Å; L142-L147 HydrophobicContact CD2-CD1 4.47Å; L142-L147 PolarHBondContact O-N 3.36Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 HydrophobicContact CB-CD1 4.23Å; A145-L147 HydrophobicContact CB-CG 4.12Å; A145-L147 PolarHBondContact O-N 3.14Å
148I96.6Very high92.7Very high0 Ų033.7 Ų33.70%020%0.201CC..  trans-139.1166.3-179.967163.5000111.5L77 V120 T122 A139 L142 H143L77-I148 HydrophobicContact CD1-CG2 3.84Å; V120-I148 HydrophobicContact CB-CB 4.28Å; V120-I148 HydrophobicContact CB-CG2 3.95Å; V120-I148 HydrophobicContact CG1-CB 4.31Å; V120-I148 HydrophobicContact CG1-CG2 3.84Å; V120-I148 CarbonylContact O-C 3.51Å; T122-I148 HydrophobicContact CG2-CB 4.48Å; T122-I148 HydrophobicContact CG2-CD1 3.4Å; T122-I148 VanDerWaalsContact CG2-CD1 3.4Å; T122-I148 HydrophobicContact CG2-CG1 4.4Å; A139-I148 HydrophobicContact CB-CD1 3.91Å; A139-I148 WeakPolarHBondContact O-CD1 3.32Å; L142-I148 HydrophobicContact CB-CD1 3.61Å; L142-I148 HydrophobicContact CB-CG1 3.55Å; L142-I148 HydrophobicContact CB-CG2 4.33Å; L142-I148 HydrophobicContact CD1-CD1 4.15Å; H143-I148 WeakPolarHBondContact CA-O 3.45Å; H143-I148 HydrophobicContact CB-CG1 4.08Å; H143-I148 PolarHBondContact ND1-O 3.3Å
149N96.4Very high92.6Very high0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-113.8100.4172.1-58.7-73000108.4F99 A107 N108 V120 F121 T122 H143F99-N149 HydrophobicContact CE1-CB 3.91Å; F99-N149 HydrophobicContact CZ-CB 3.94Å; A107-N149 WeakPolarHBondContact CA-OD1 3.47Å; N108-N149 PolarHBondContact N-OD1 3.49Å; N108-N149 PolarHBondContact OD1-ND2 3.03Å; N108-N149 PolarHBondContact OD1-OD1 2.92Å; V120-N149 WeakPolarHBondContact O-CB 3.44Å; V120-N149 PolarHBondContact O-N 2.74Å; V120-N149 PolarHBondContact O-ND2 2.86Å; V120-N149 VanDerWaalsContact O-ND2 3.11Å; F121-N149 WeakPolarHBondContact CA-O 3.35Å; F121-N149 HydrophobicContact CD1-CB 3.65Å; F121-N149 HydrophobicContact CE1-CB 3.81Å; F121-N149 HydrophobicContact CG-CB 4.26Å; T122-N149 PolarHBondContact N-O 3.46Å; H143-N149 WeakPolarHBondContact ND1-CA 3.38Å
150L95.6Very high92.6Very high1 Ų139 Ų391%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-79121.3175.4177.663000109F99 T102 T122 A139 D140 H143 K153F99-L150 VanDerWaalsContact CD1-O 3.28Å; F99-L150 WeakPolarHBondContact CD1-O 3.43Å; F99-L150 WeakPolarHBondContact CE1-O 3.47Å; T102-L150 HydrophobicContact CG2-CB 4.32Å; T102-L150 HydrophobicContact CG2-CD2 4.32Å; T122-L150 HydrophobicContact CG2-CD1 4.24Å; T122-L150 WeakPolarHBondContact O-CA 3.25Å; T122-L150 WeakPolarHBondContact O-CD1 3.41Å; A139-L150 HydrophobicContact CB-CD1 3.97Å; A139-L150 HydrophobicContact CB-CD2 4.18Å; D140-L150 VanDerWaalsContact OD1-CD2 3.29Å; D140-L150 WeakPolarHBondContact OD1-CD2 3.35Å; H143-L150 HydrophobicContact CB-CB 4.16Å; H143-L150 PolarHBondContact ND1-N 3.04Å; L150-K153 HydrophobicContact CD2-CD 4.26Å
151F94.6Very high92.5Very high2 Ų241.5 Ų41.51%0.00923%0.234CC..  trans-129.4169.5175.875.2-69.4000110L54 I98 F121 T122 I123 K153 V165 L176L54-F151 HydrophobicContact CD1-CE1 3.97Å; L54-F151 HydrophobicContact CD1-CZ 3.91Å; I98-F151 HydrophobicContact CG2-CB 4.07Å; F121-F151 HydrophobicContact CB-CD1 4.15Å; F121-F151 HydrophobicContact CB-CE1 3.85Å; F121-F151 HydrophobicContact CD1-CD1 4.37Å; T122-F151 WeakPolarHBondContact O-CD1 3.41Å; T122-F151 PolarHBondContact O-N 3.16Å; I123-F151 HydrophobicContact CG2-CD1 4.3Å; I123-F151 HydrophobicContact CG2-CD2 4.46Å; I123-F151 HydrophobicContact CG2-CE1 3.89Å; I123-F151 HydrophobicContact CG2-CE2 4.1Å; I123-F151 HydrophobicContact CG2-CZ 3.78Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.21Å; F151-V165 HydrophobicContact CB-CG2 4.22Å; F151-V165 HydrophobicContact CD2-CG2 3.88Å; F151-V165 HydrophobicContact CG-CG2 4.18Å; F151-L176 HydrophobicContact CE1-CD2 4.27Å; F151-L176 HydrophobicContact CE2-CD1 4.48Å; F151-L176 HydrophobicContact CE2-CD2 4.01Å; F151-L176 HydrophobicContact CE2-CG 3.77Å; F151-L176 HydrophobicContact CZ-CD1 4.28Å; F151-L176 HydrophobicContact CZ-CD2 3.72Å; F151-L176 HydrophobicContact CZ-CG 3.83Å
152G91Very high92.5Very high15 Ų1537.8 Ų37.816%0.15521%0.214CC..  trans71.820.2178.500000115.1F154 G178 G180G152-F154 WeakPolarHBondContact O-CE2 3.44Å; G152-F154 WeakPolarHBondContact O-CZ 3.4Å; G152-G178 WeakPolarHBondContact CA-O 3.25Å; G152-G180 PolarHBondContact O-N 3.27Å; G152-G180 VanDerWaalsContact O-N 3.08Å
153K91.4Very high92.4Very high29 Ų2940 Ų4013%0.12623%0.228CC..  trans-88.8136.3170.5-175.6179.1178.9-174.90109.6N101 G135 D140 L150 F151N101-K153 HydrophobicContact CB-CB 4.35Å; N101-K153 HydrophobicContact CB-CD 4.07Å; N101-K153 HydrophobicContact CB-CG 4.16Å; N101-K153 PolarHBondContact ND2-O 3.3Å; N101-K153 PolarHBondContact O-NZ 3.4Å; G135-K153 WeakPolarHBondContact O-CE 3.48Å; G135-K153 PolarHBondContact O-NZ 2.87Å; D140-K153 IonicContact OD1-NZ 2.84Å; D140-K153 PolarHBondContact OD1-NZ 3.5Å; D140-K153 IonicContact OD2-NZ 3.47Å; D140-K153 PolarHBondContact OD2-NZ 3.32Å; L150-K153 HydrophobicContact CD2-CD 4.26Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.21Å
154F88Confident92.3Very high43 Ų4339.9 Ų39.919%0.18923%0.227CC..  trans-109.3143.7-176.7-48.6-64000112.1G152 I160 L162 L179 V182G152-F154 WeakPolarHBondContact O-CE2 3.44Å; G152-F154 WeakPolarHBondContact O-CZ 3.4Å; F154-I160 HydrophobicContact CD1-CG2 3.81Å; F154-I160 HydrophobicContact CD2-CG2 4.22Å; F154-I160 HydrophobicContact CE1-CG2 3.58Å; F154-I160 HydrophobicContact CE2-CG2 4Å; F154-I160 HydrophobicContact CG-CG2 4.15Å; F154-I160 HydrophobicContact CZ-CG2 3.69Å; F154-L162 HydrophobicContact CE1-CD2 3.53Å; F154-L162 HydrophobicContact CE1-CG 4.41Å; F154-L162 HydrophobicContact CZ-CD2 3.47Å; F154-L162 VanDerWaalsContact CZ-CD2 3.47Å; F154-L179 HydrophobicContact CE2-CD1 3.79Å; F154-L179 HydrophobicContact CZ-CD1 3.75Å; F154-V182 HydrophobicContact CD2-CG2 4.47Å
155S84.8Confident92.4Very high104 Ų10436.9 Ų36.973%0.72721%0.209SC*.SBendtrans-86.7-36.5173530000112.1N101N101-S155 PolarHBondContact ND2-N 2.87Å
156S86.4Confident92.4Very high52 Ų5236 Ų3636%0.36420%0.198SC..  trans-96.3139.3178.8-178.20000111.7E158 R159S156-E158 PolarHBondContact OG-N 3.09Å; S156-R159 WeakPolarHBondContact CB-O 3.24Å; S156-R159 PolarHBondContact OG-N 3.26Å
157V85.7Confident92.5Very high82 Ų8235.6 Ų35.650%0.49719%0.194SC..SBendtrans-90-22.3175.4179.50000111.6
158E89.8Confident92.4Very high159 Ų15939.1 Ų39.174%0.74321%0.206SC*.SBendtrans-92.9-26-175.1-62.9-173163.400113.3S156 L190 S195S156-E158 PolarHBondContact OG-N 3.09Å; E158-L190 WeakPolarHBondContact O-CD2 3.27Å; E158-S195 WeakPolarHBondContact O-CB 2.96Å
159R92Very high92.3Very high109 Ų10939.5 Ų39.541%0.41121%0.208SC..  trans-135.9129.1179.8-176.5-179.6175.5148.96.7109.4S156 D161 S195 T197S156-R159 WeakPolarHBondContact CB-O 3.24Å; S156-R159 PolarHBondContact OG-N 3.26Å; R159-D161 IonicContact CZ-OD1 3.44Å; R159-D161 IonicContact CZ-OD2 2.8Å; R159-D161 IonicContact NE-OD1 2.71Å; R159-D161 PolarHBondContact NE-OD1 2.82Å; R159-D161 IonicContact NE-OD2 4Å; R159-D161 PolarHBondContact NE-OD2 2.86Å; R159-D161 VanDerWaalsContact NE-OD2 3.14Å; R159-D161 IonicContact NH2-OD1 3.2Å; R159-S195 WeakPolarHBondContact CA-O 3.24Å; R159-T197 PolarHBondContact NH2-OG1 2.83Å
160I93.8Very high92.1Very high3 Ų341.6 Ų41.62%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-110.2113.9179.5-62.5176.5000107.9F154 L162 L179 V182 L187 L190 S195 V196 T197F154-I160 HydrophobicContact CD1-CG2 3.81Å; F154-I160 HydrophobicContact CD2-CG2 4.22Å; F154-I160 HydrophobicContact CE1-CG2 3.58Å; F154-I160 HydrophobicContact CE2-CG2 4Å; F154-I160 HydrophobicContact CG-CG2 4.15Å; F154-I160 HydrophobicContact CZ-CG2 3.69Å; I160-L162 HydrophobicContact CG2-CD2 4.23Å; I160-L162 HydrophobicContact CG2-CG 4.09Å; I160-L179 HydrophobicContact CD1-CD1 4.48Å; I160-L179 HydrophobicContact CG2-CD1 3.94Å; I160-V182 HydrophobicContact CD1-CG2 4.06Å; I160-L187 HydrophobicContact CD1-CD1 3.76Å; I160-L190 HydrophobicContact CD1-CD1 3.54Å; I160-L190 HydrophobicContact CG1-CD1 3.99Å; I160-S195 PolarHBondContact N-O 3.1Å; I160-V196 HydrophobicContact CB-CG1 4.26Å; I160-V196 HydrophobicContact CB-CG2 4.27Å; I160-V196 HydrophobicContact CG2-CG1 4.21Å; I160-V196 CarbonylContact O-C 3.57Å; I160-V196 VanDerWaalsContact O-CA 3.29Å; I160-V196 WeakPolarHBondContact O-CA 3.23Å; I160-T197 PolarHBondContact O-N 2.97Å
161D92.3Very high91.9Very high57 Ų5746.9 Ų46.931%0.30526%0.258SS..EExtended strand (participates in β ladder)trans-111.7110.6-179-78.9-19.2000108.1R159 T197 Y199R159-D161 IonicContact CZ-OD1 3.44Å; R159-D161 IonicContact CZ-OD2 2.8Å; R159-D161 IonicContact NE-OD1 2.71Å; R159-D161 PolarHBondContact NE-OD1 2.82Å; R159-D161 IonicContact NE-OD2 4Å; R159-D161 PolarHBondContact NE-OD2 2.86Å; R159-D161 VanDerWaalsContact NE-OD2 3.14Å; R159-D161 IonicContact NH2-OD1 3.2Å; D161-T197 VanDerWaalsContact OD1-CB 3.26Å; D161-T197 WeakPolarHBondContact OD1-CB 3.36Å; D161-T197 PolarHBondContact OD1-OG1 3.37Å; D161-T197 VanDerWaalsContact OD1-OG1 3.07Å; D161-Y199 HydrophobicContact CB-CE2 3.84Å
162L93.1Very high91.9Very high3 Ų346.9 Ų46.92%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-97.7104.2-173.8-67.7167.4000110.5F154 I160 Y177 G178 L179 V196 T197 F198 Y199F154-L162 HydrophobicContact CE1-CD2 3.53Å; F154-L162 HydrophobicContact CE1-CG 4.41Å; F154-L162 HydrophobicContact CZ-CD2 3.47Å; F154-L162 VanDerWaalsContact CZ-CD2 3.47Å; I160-L162 HydrophobicContact CG2-CD2 4.23Å; I160-L162 HydrophobicContact CG2-CG 4.09Å; L162-Y177 HydrophobicContact CB-CD1 4.41Å; L162-G178 WeakPolarHBondContact CD2-O 3.49Å; L162-L179 HydrophobicContact CD1-CD1 4.38Å; L162-L179 HydrophobicContact CD2-CB 4.38Å; L162-L179 HydrophobicContact CD2-CD1 4.07Å; L162-V196 HydrophobicContact CD1-CG1 4.06Å; L162-T197 PolarHBondContact N-O 3.29Å; L162-F198 HydrophobicContact CB-CD1 4.22Å; L162-F198 HydrophobicContact CB-CG 4.49Å; L162-F198 HydrophobicContact CD1-CD1 3.73Å; L162-F198 HydrophobicContact CD1-CD2 4.08Å; L162-F198 HydrophobicContact CD1-CE1 3.3Å; L162-F198 HydrophobicContact CD1-CE2 3.68Å; L162-F198 HydrophobicContact CD1-CG 4.11Å; L162-F198 HydrophobicContact CD1-CZ 3.27Å; L162-Y199 PolarHBondContact O-N 3.49Å
163T93Very high92.1Very high45 Ų4548.9 Ų48.928%0.27626%0.261SS..  trans-94.4126.4173.3-53.80000110.2
164P94.6Very high92.4Very high4 Ų447.7 Ų47.73%0.02626%0.256CS..  trans-76.2144.8-179.628.3-32.4000112.7L166 A175 L176 Y177 Y199P164-L166 HydrophobicContact CB-CD2 4.07Å; P164-L166 HydrophobicContact CG-CD2 3.92Å; P164-L166 PolarHBondContact O-N 3.44Å; P164-A175 HydrophobicContact CB-CB 4.12Å; P164-L176 CarbonylContact C-O 3.57Å; P164-L176 WeakPolarHBondContact CA-O 3.32Å; P164-Y177 HydrophobicContact CB-CD1 3.94Å; P164-Y177 HydrophobicContact CB-CD2 4.22Å; P164-Y177 HydrophobicContact CB-CE1 3.64Å; P164-Y177 HydrophobicContact CB-CE2 3.92Å; P164-Y177 HydrophobicContact CB-CG 4.22Å; P164-Y177 HydrophobicContact CG-CD1 4.49Å; P164-Y177 HydrophobicContact CG-CE1 3.79Å; P164-Y199 VanDerWaalsContact CD-O 3.31Å; P164-Y199 WeakPolarHBondContact CD-O 3.48Å
165V95.1Very high92.8Very high0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-78.5115.1162.2-172.10000108L91 I98 F121 F151 L167 L176L91-V165 HydrophobicContact CD1-CG1 3.54Å; I98-V165 HydrophobicContact CD1-CB 4.2Å; I98-V165 HydrophobicContact CD1-CG1 4.2Å; I98-V165 HydrophobicContact CD1-CG2 4.01Å; I98-V165 HydrophobicContact CG1-CG2 4.37Å; I98-V165 HydrophobicContact CG2-CG2 3.76Å; F121-V165 HydrophobicContact CE1-CG1 4.08Å; F151-V165 HydrophobicContact CB-CG2 4.22Å; F151-V165 HydrophobicContact CD2-CG2 3.88Å; F151-V165 HydrophobicContact CG-CG2 4.18Å; V165-L167 HydrophobicContact CG1-CD2 3.88Å; V165-L167 HydrophobicContact CG1-CG 4.18Å; V165-L176 HydrophobicContact CB-CB 4.22Å; V165-L176 PolarHBondContact N-O 3.3Å; V165-L176 PolarHBondContact O-N 2.91Å
166L95.6Very high93.4Very high27 Ų2740.8 Ų40.814%0.14121%0.213CC..EExtended strand (participates in β ladder)trans-95.9111.3-175.7-60.6179.6000109.7L92 S93 P164 A175 P201 W208L92-L166 HydrophobicContact CB-CB 4.09Å; L92-L166 PolarHBondContact N-O 3.14Å; S93-L166 PolarHBondContact OG-N 3.38Å; P164-L166 HydrophobicContact CB-CD2 4.07Å; P164-L166 HydrophobicContact CG-CD2 3.92Å; P164-L166 PolarHBondContact O-N 3.44Å; L166-A175 HydrophobicContact CD2-CB 3.85Å; L166-P201 HydrophobicContact CD1-CB 4.15Å; L166-P201 HydrophobicContact CD2-CB 4.23Å; L166-P201 HydrophobicContact CD2-CG 4.15Å; L166-W208 HydrophobicContact CB-CH2 3.69Å; L166-W208 HydrophobicContact CB-CZ3 3.87Å; L166-W208 HydrophobicContact CD1-CH2 4.24Å; L166-W208 HydrophobicContact CD1-CZ2 4.33Å; L166-W208 HydrophobicContact CD2-CD2 4.35Å; L166-W208 HydrophobicContact CD2-CE3 4.02Å; L166-W208 HydrophobicContact CD2-CH2 3.92Å; L166-W208 HydrophobicContact CD2-CZ2 4.25Å; L166-W208 HydrophobicContact CD2-CZ3 3.8Å; L166-W208 HydrophobicContact CG-CH2 4.16Å; L166-W208 HydrophobicContact CG-CZ3 4.36Å
167L95.5Very high93.9Very high1 Ų138.4 Ų38.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-113.7141.8-177.6-56.5178.7000110.8F52 F89 E90 L91 F121 V165 R173 V174F52-L167 HydrophobicContact CE1-CD1 3.76Å; F52-L167 HydrophobicContact CZ-CD1 3.92Å; F89-L167 HydrophobicContact CD2-CB 4.47Å; F89-L167 HydrophobicContact CD2-CD2 3.89Å; F89-L167 HydrophobicContact CE2-CD1 4.36Å; F89-L167 HydrophobicContact CE2-CD2 3.78Å; E90-L167 WeakPolarHBondContact O-CA 3.46Å; L91-L167 HydrophobicContact CD1-CD2 3.69Å; F121-L167 HydrophobicContact CZ-CD2 4.49Å; V165-L167 HydrophobicContact CG1-CD2 3.88Å; V165-L167 HydrophobicContact CG1-CG 4.18Å; L167-R173 WeakPolarHBondContact O-CA 3.42Å; L167-V174 PolarHBondContact N-O 2.96Å; L167-V174 PolarHBondContact O-N 3.26Å
168R94.9Very high94.3Very high86 Ų8634.6 Ų34.633%0.32517%0.174SC..EExtended strand (participates in β ladder)trans-130.5129.7174.1179.1174.770.11766.4111.5F89 E90 L92 G170 T172 R173F89-R168 CarbonylContact C-O 3.59Å; F89-R168 VanDerWaalsContact CA-O 3.25Å; F89-R168 WeakPolarHBondContact CA-O 3.27Å; F89-R168 WeakPolarHBondContact CB-O 3.19Å; E90-R168 PolarHBondContact N-O 3.31Å; E90-R168 PolarHBondContact O-N 3.39Å; E90-R168 IonicContact OE2-CZ 2.72Å; E90-R168 VanDerWaalsContact OE2-CZ 3.31Å; E90-R168 IonicContact OE2-NE 3.99Å; E90-R168 PolarHBondContact OE2-NE 3.28Å; E90-R168 VanDerWaalsContact OE2-NE 3.17Å; E90-R168 IonicContact OE2-NH2 3.69Å; E90-R168 PolarHBondContact OE2-NH2 3.25Å; L92-R168 HydrophobicContact CD1-CB 3.65Å; L92-R168 HydrophobicContact CD1-CG 4.49Å; L92-R168 HydrophobicContact CG-CB 4.13Å; R168-G170 WeakPolarHBondContact CG-O 3.3Å; R168-T172 WeakPolarHBondContact CA-O 3.45Å; R168-R173 HydrophobicContact CG-CG 4.47Å
169K94.7Very high94.6Very high8 Ų827.1 Ų27.14%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-128.1108.4170.2-177.4172.7180-174.10109.3E8 V10 L11 D51 F89 N171 T172E8-K169 WeakPolarHBondContact O-CG 3.22Å; V10-K169 WeakPolarHBondContact O-CD 3.39Å; V10-K169 WeakPolarHBondContact O-CE 3.19Å; V10-K169 PolarHBondContact O-NZ 3.14Å; L11-K169 HydrophobicContact CB-CD 4.4Å; L11-K169 HydrophobicContact CD1-CB 3.95Å; L11-K169 HydrophobicContact CD1-CD 3.82Å; D51-K169 IonicContact OD1-NZ 3.51Å; D51-K169 PolarHBondContact OD1-NZ 3.12Å; D51-K169 IonicContact OD2-NZ 3.49Å; D51-K169 PolarHBondContact OD2-NZ 3.39Å; F89-K169 HydrophobicContact CB-CB 3.98Å; K169-N171 PolarHBondContact O-N 3.14Å; K169-T172 PolarHBondContact N-O 3.07Å; K169-T172 WeakPolarHBondContact O-CB 3.19Å; K169-T172 PolarHBondContact O-N 3.24Å
170G92.2Very high94.7Very high44 Ų4421.9 Ų21.945%0.45412%0.119SC..THydrogen-bonded Turntrans55-120.4-169.400000111N9 R168N9-G170 WeakPolarHBondContact OD1-CA 3.28Å; R168-G170 WeakPolarHBondContact CG-O 3.3Å
171N92.2Very high94.8Very high112 Ų11222.7 Ų22.760%0.59912%0.124SC*.THydrogen-bonded Turntrans-84.4-15.2177.8-65.3-17.3000114N9 K169N9-N171 PolarHBondContact OD1-N 3.36Å; K169-N171 PolarHBondContact O-N 3.14Å
172T94.6Very high94.9Very high1 Ų121 Ų211%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-82129.2-176.2-64.10000110.8N9 R168 K169 V174 I287 E289N9-T172 WeakPolarHBondContact O-CB 3.4Å; N9-T172 PolarHBondContact O-OG1 3.46Å; R168-T172 WeakPolarHBondContact CA-O 3.45Å; K169-T172 PolarHBondContact N-O 3.07Å; K169-T172 WeakPolarHBondContact O-CB 3.19Å; K169-T172 PolarHBondContact O-N 3.24Å; T172-V174 HydrophobicContact CG2-CG2 4.14Å; T172-I287 HydrophobicContact CG2-CG2 4.03Å; T172-E289 PolarHBondContact OG1-N 3.05Å
173R95.4Very high94.9Very high58 Ų5829.4 Ų29.422%0.21915%0.148CC..EExtended strand (participates in β ladder)trans-120.6124.2-179.5-59.6-173.8-169.1-165.38.9110L167 R168 C204 W208 F209L167-R173 WeakPolarHBondContact O-CA 3.42Å; R168-R173 HydrophobicContact CG-CG 4.47Å; R173-C204 PolarHBondContact NH1-SG 3.42Å; R173-W208 HydrophobicContact CB-CD2 3.96Å; R173-W208 HydrophobicContact CB-CE3 3.56Å; R173-W208 HydrophobicContact CB-CH2 4.26Å; R173-W208 HydrophobicContact CB-CZ3 3.73Å; R173-F209 PolarHBondContact O-N 3.44Å
174V96.4Very high94.9Very high3 Ų328.7 Ų28.72%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-121.7128.7-177.7178.70000109.7L11 L167 T172 W208 F209 V211 I287L11-V174 HydrophobicContact CD2-CB 4.11Å; L11-V174 HydrophobicContact CD2-CG2 3.59Å; L167-V174 PolarHBondContact N-O 2.96Å; L167-V174 PolarHBondContact O-N 3.26Å; T172-V174 HydrophobicContact CG2-CG2 4.14Å; V174-W208 WeakPolarHBondContact O-CZ3 3.3Å; V174-F209 WeakPolarHBondContact CA-O 3.29Å; V174-F209 HydrophobicContact CG2-CB 4.48Å; V174-V211 HydrophobicContact CG1-CG2 4.12Å; V174-I287 HydrophobicContact CG1-CD1 4.32Å; V174-I287 HydrophobicContact CG2-CB 4.47Å; V174-I287 HydrophobicContact CG2-CD1 3.97Å; V174-I287 HydrophobicContact CG2-CG2 4Å
175A96.5Very high94.7Very high0 Ų032.4 Ų32.40%016%0.159CC..EExtended strand (participates in β ladder)trans-104.6105.8171.700000108.4P164 L166 Y177 W208 F209 S210 V211P164-A175 HydrophobicContact CB-CB 4.12Å; L166-A175 HydrophobicContact CD2-CB 3.85Å; A175-Y177 HydrophobicContact CB-CE2 3.87Å; A175-W208 HydrophobicContact CB-CB 4.32Å; A175-W208 HydrophobicContact CB-CE3 4.08Å; A175-F209 PolarHBondContact N-O 2.92Å; A175-S210 WeakPolarHBondContact O-CA 3.38Å; A175-V211 PolarHBondContact O-N 2.79Å
176L96.8Very high94.7Very high3 Ų337 Ų372%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-96.4110.8-177.4177.668000110.1L54 F121 F151 P164 V165 V211L54-L176 HydrophobicContact CD1-CD1 4.32Å; L54-L176 HydrophobicContact CD1-CD2 4.17Å; L54-L176 HydrophobicContact CD2-CD1 4.02Å; F121-L176 HydrophobicContact CB-CD2 4.39Å; F121-L176 HydrophobicContact CG-CD2 4.48Å; F151-L176 HydrophobicContact CE1-CD2 4.27Å; F151-L176 HydrophobicContact CE2-CD1 4.48Å; F151-L176 HydrophobicContact CE2-CD2 4.01Å; F151-L176 HydrophobicContact CE2-CG 3.77Å; F151-L176 HydrophobicContact CZ-CD1 4.28Å; F151-L176 HydrophobicContact CZ-CD2 3.72Å; F151-L176 HydrophobicContact CZ-CG 3.83Å; P164-L176 CarbonylContact C-O 3.57Å; P164-L176 WeakPolarHBondContact CA-O 3.32Å; V165-L176 HydrophobicContact CB-CB 4.22Å; V165-L176 PolarHBondContact N-O 3.3Å; V165-L176 PolarHBondContact O-N 2.91Å; L176-V211 CarbonylContact C-O 3.59Å; L176-V211 WeakPolarHBondContact CA-O 3.39Å; L176-V211 HydrophobicContact CD1-CB 4.1Å; L176-V211 HydrophobicContact CD1-CG1 4Å
177Y97Very high94.6Very high1 Ų135.7 Ų35.70%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-96.1141.3174.5-61.3-97000109.8L162 P164 A175 F198 Y199 V211 C212 T213 F235 L236L162-Y177 HydrophobicContact CB-CD1 4.41Å; P164-Y177 HydrophobicContact CB-CD1 3.94Å; P164-Y177 HydrophobicContact CB-CD2 4.22Å; P164-Y177 HydrophobicContact CB-CE1 3.64Å; P164-Y177 HydrophobicContact CB-CE2 3.92Å; P164-Y177 HydrophobicContact CB-CG 4.22Å; P164-Y177 HydrophobicContact CG-CD1 4.49Å; P164-Y177 HydrophobicContact CG-CE1 3.79Å; A175-Y177 HydrophobicContact CB-CE2 3.87Å; Y177-F198 AromaticContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CE1-CD1 4.22Å; Y177-Y199 VanDerWaalsContact CE1-O 3.28Å; Y177-Y199 WeakPolarHBondContact CE1-O 3.46Å; Y177-Y199 PolarHBondContact OH-O 3.05Å; Y177-Y199 VanDerWaalsContact OH-O 3.09Å; Y177-V211 PolarHBondContact N-O 2.91Å; Y177-C212 WeakPolarHBondContact O-CA 3.4Å; Y177-T213 PolarHBondContact O-N 2.84Å; Y177-F235 HydrophobicContact CE1-CZ 4.36Å; Y177-F235 AromaticContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CZ 4.34Å; Y177-F235 AromaticContact CZ-CE2 3.82Å; Y177-F235 AromaticContact CZ-CZ 3.95Å; Y177-L236 HydrophobicContact CD2-CD2 4.11Å; Y177-L236 HydrophobicContact CE2-CD2 4.32Å
178G96Very high94.5Very high3 Ų336.4 Ų36.43%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-130.8125.5178.800000110.9G152 L162G152-G178 WeakPolarHBondContact CA-O 3.25Å; L162-G178 WeakPolarHBondContact CD2-O 3.49Å
179L95.5Very high94.5Very high1 Ų139.5 Ų39.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-113.595.8172-176.674.5000108.4I123 F154 I160 L162 L187 T213 V214 L227I123-L179 WeakPolarHBondContact CD1-O 3.46Å; F154-L179 HydrophobicContact CE2-CD1 3.79Å; F154-L179 HydrophobicContact CZ-CD1 3.75Å; I160-L179 HydrophobicContact CD1-CD1 4.48Å; I160-L179 HydrophobicContact CG2-CD1 3.94Å; L162-L179 HydrophobicContact CD1-CD1 4.38Å; L162-L179 HydrophobicContact CD2-CB 4.38Å; L162-L179 HydrophobicContact CD2-CD1 4.07Å; L179-L187 HydrophobicContact CD1-CD1 4.48Å; L179-L187 HydrophobicContact CD2-CD1 4.39Å; L179-L187 HydrophobicContact CD2-CD2 3.93Å; L179-T213 PolarHBondContact N-O 3.42Å; L179-V214 HydrophobicContact CB-CG1 4.1Å; L179-V214 HydrophobicContact CD2-CG1 4.15Å; L179-L227 HydrophobicContact CD2-CD2 4.48Å
180G94.7Very high94.5Very high0 Ų039.8 Ų39.80%019%0.186CC..  trans-57.7156.4170.900000111.6H124 G152 V182H124-G180 WeakPolarHBondContact O-CA 3.47Å; G152-G180 PolarHBondContact O-N 3.27Å; G152-G180 VanDerWaalsContact O-N 3.08Å; G180-V182 PolarHBondContact O-N 3.15Å
181S95.2Very high94.6Very high19 Ų1937.8 Ų37.813%0.13317%0.165CC..  trans-60.5126.7-174.6-171.60000112.2H124 G125 H215H124-S181 PolarHBondContact CE1-N 3Å; H124-S181 PolarHBondContact CE1-O 3.17Å; H124-S181 VanDerWaalsContact CE1-O 3.31Å; H124-S181 PolarHBondContact ND1-N 3.5Å; H124-S181 PolarHBondContact O-N 3.12Å; G125-S181 VanDerWaalsContact O-CB 3.28Å; G125-S181 WeakPolarHBondContact O-CB 3.29Å; S181-H215 PolarHBondContact OG-O 2.93Å
182V94.2Very high94.6Very high23 Ų2336.3 Ų36.314%0.13916%0.156CC..  trans-121.4143.8169.9179.20000107.5F154 I160 G180 E184 R186 L187 Q216F154-V182 HydrophobicContact CD2-CG2 4.47Å; I160-V182 HydrophobicContact CD1-CG2 4.06Å; G180-V182 PolarHBondContact O-N 3.15Å; V182-E184 PolarHBondContact O-N 3.14Å; V182-R186 HydrophobicContact CG1-CB 4.41Å; V182-R186 HydrophobicContact CG1-CG 4.29Å; V182-L187 HydrophobicContact CB-CB 4.25Å; V182-L187 HydrophobicContact CB-CD1 4.43Å; V182-L187 HydrophobicContact CG1-CB 4.12Å; V182-Q216 PolarHBondContact O-NE2 3.43Å; V182-Q216 PolarHBondContact O-OE1 2.86Å
183R92.9Very high94.6Very high179 Ų17941.7 Ų41.768%0.67519%0.185SC*.  trans-51.1131.3174.3-67.1-175.9-177.4163.71.4111.1E185 R186 L187R183-E185 PolarHBondContact O-N 2.97Å; R183-R186 HydrophobicContact CB-CB 4.42Å; R183-R186 WeakPolarHBondContact O-CA 3.29Å; R183-R186 WeakPolarHBondContact O-CB 3.38Å; R183-R186 PolarHBondContact O-N 3.11Å; R183-L187 PolarHBondContact O-N 2.93Å
184E92.5Very high94.4Very high29 Ų2941.3 Ų41.314%0.13619%0.187CC..Hα-helixtrans-59.2-47.8-167-71.472.8-173.500111.9V182 R186 L187 H188 N217V182-E184 PolarHBondContact O-N 3.14Å; E184-R186 PolarHBondContact O-N 3Å; E184-L187 PolarHBondContact O-N 2.98Å; E184-H188 VanDerWaalsContact O-CB 3.27Å; E184-H188 WeakPolarHBondContact O-CB 3.39Å; E184-H188 PolarHBondContact O-N 2.77Å; E184-N217 VanDerWaalsContact CD-ND2 3.3Å; E184-N217 HydrophobicContact CG-CB 3.98Å; E184-N217 PolarHBondContact OE1-ND2 2.88Å
185E92Very high94.3Very high83 Ų8342.6 Ų42.639%0.38820%0.197SC..Hα-helixtrans-65-30-179.2-62.677.1-165.500111.9R183 R189 S225R183-E185 PolarHBondContact O-N 2.97Å; E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 2.73Å; E185-R189 PolarHBondContact O-NE 2.86Å; E185-S225 VanDerWaalsContact OE1-CB 3.31Å; E185-S225 WeakPolarHBondContact OE1-CB 3.3Å; E185-S225 PolarHBondContact OE1-OG 3.18Å
186R93.5Very high94.2Very high95 Ų9542.6 Ų42.636%0.35820%0.197SC..Hα-helixtrans-72.9-51.9173.9177.1179.4-75.4162.1-6.9109.6V182 R183 E184 H188 R189 L190V182-R186 HydrophobicContact CG1-CB 4.41Å; V182-R186 HydrophobicContact CG1-CG 4.29Å; R183-R186 HydrophobicContact CB-CB 4.42Å; R183-R186 WeakPolarHBondContact O-CA 3.29Å; R183-R186 WeakPolarHBondContact O-CB 3.38Å; R183-R186 PolarHBondContact O-N 3.11Å; E184-R186 PolarHBondContact O-N 3Å; R186-H188 VanDerWaalsContact C-N 3.28Å; R186-H188 PolarHBondContact O-N 3.13Å; R186-R189 WeakPolarHBondContact O-CB 3.44Å; R186-R189 PolarHBondContact O-N 3.03Å; R186-R189 VanDerWaalsContact O-N 3.07Å; R186-L190 HydrophobicContact CG-CD1 4.05Å; R186-L190 HydrophobicContact CG-CG 4.28Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 2.99Å
187L94.5Very high94Very high0 Ų042.5 Ų42.50%020%0.196CC..Hα-helixtrans-58.2-43.5-178.8-174.964.5000111.4I160 L179 V182 R183 E184 R189 L190 F191 Q216 L227I160-L187 HydrophobicContact CD1-CD1 3.76Å; L179-L187 HydrophobicContact CD1-CD1 4.48Å; L179-L187 HydrophobicContact CD2-CD1 4.39Å; L179-L187 HydrophobicContact CD2-CD2 3.93Å; V182-L187 HydrophobicContact CB-CB 4.25Å; V182-L187 HydrophobicContact CB-CD1 4.43Å; V182-L187 HydrophobicContact CG1-CB 4.12Å; R183-L187 PolarHBondContact O-N 2.93Å; E184-L187 PolarHBondContact O-N 2.98Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.13Å; L187-L190 WeakPolarHBondContact O-CB 3.49Å; L187-L190 PolarHBondContact O-N 3.18Å; L187-L190 VanDerWaalsContact O-N 3.11Å; L187-F191 HydrophobicContact CD1-CD2 3.94Å; L187-F191 HydrophobicContact CD1-CE2 3.63Å; L187-F191 HydrophobicContact CD2-CE2 4.15Å; L187-F191 HydrophobicContact CG-CD2 3.86Å; L187-F191 HydrophobicContact CG-CE2 3.74Å; L187-F191 WeakPolarHBondContact O-CD2 3.49Å; L187-F191 PolarHBondContact O-N 2.7Å; L187-Q216 HydrophobicContact CD2-CG 3.6Å; L187-L227 HydrophobicContact CD2-CD1 4.25Å; L187-L227 HydrophobicContact CD2-CD2 4.21Å
188H93.6Very high93.9Very high17 Ų1742.5 Ų42.58%0.07920%0.196CC..Hα-helixtrans-57.1-44.4175.6-169.2-72.8000111.6E184 R186 L192 F231E184-H188 VanDerWaalsContact O-CB 3.27Å; E184-H188 WeakPolarHBondContact O-CB 3.39Å; E184-H188 PolarHBondContact O-N 2.77Å; R186-H188 VanDerWaalsContact C-N 3.28Å; R186-H188 PolarHBondContact O-N 3.13Å; H188-L192 WeakPolarHBondContact O-CG 3.43Å; H188-L192 PolarHBondContact O-N 2.62Å; H188-L192 VanDerWaalsContact O-N 3.11Å; H188-F231 AromaticContact CD2-CE2 3.79Å; H188-F231 AromaticContact CE1-CE2 3.93Å; H188-F231 AromaticContact CE1-CZ 3.87Å; H188-F231 AromaticContact NE2-CE2 3.7Å; H188-F231 AromaticContact NE2-CZ 3.71Å
189R93.9Very high93.8Very high151 Ų15144.5 Ų44.557%0.5720%0.203SC*.Hα-helixtrans-64.8-40.3174.3-74-175.1-62.1161.81112.7E185 R186 L187 F191 L192 N193E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 2.73Å; E185-R189 PolarHBondContact O-NE 2.86Å; R186-R189 WeakPolarHBondContact O-CB 3.44Å; R186-R189 PolarHBondContact O-N 3.03Å; R186-R189 VanDerWaalsContact O-N 3.07Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.13Å; R189-F191 PolarHBondContact O-N 2.77Å; R189-L192 PolarHBondContact O-N 2.91Å; R189-N193 WeakPolarHBondContact O-CB 3.2Å; R189-N193 VanDerWaalsContact O-CG 3.24Å; R189-N193 PolarHBondContact O-N 3.48Å
190L94.6Very high93.6Very high13 Ų1346.7 Ų46.77%0.06821%0.211CC..Hα-helixtrans-62.9-41.3178.9-67.6176.3000111.8E158 I160 R186 L187 N193 N194 S195 V196E158-L190 WeakPolarHBondContact O-CD2 3.27Å; I160-L190 HydrophobicContact CD1-CD1 3.54Å; I160-L190 HydrophobicContact CG1-CD1 3.99Å; R186-L190 HydrophobicContact CG-CD1 4.05Å; R186-L190 HydrophobicContact CG-CG 4.28Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 2.99Å; L187-L190 WeakPolarHBondContact O-CB 3.49Å; L187-L190 PolarHBondContact O-N 3.18Å; L187-L190 VanDerWaalsContact O-N 3.11Å; L190-N193 PolarHBondContact O-N 2.87Å; L190-N194 PolarHBondContact O-N 2.99Å; L190-S195 PolarHBondContact O-N 3.49Å; L190-V196 HydrophobicContact CB-CG2 3.9Å
191F94.2Very high93.4Very high3 Ų347.4 Ų47.41%0.01322%0.216CC..Hα-helixtrans-65.1-42.9173.3-86-75.6000112.4L187 R189 N193 N194 V196 F198 L227 F231 L232L187-F191 HydrophobicContact CD1-CD2 3.94Å; L187-F191 HydrophobicContact CD1-CE2 3.63Å; L187-F191 HydrophobicContact CD2-CE2 4.15Å; L187-F191 HydrophobicContact CG-CD2 3.86Å; L187-F191 HydrophobicContact CG-CE2 3.74Å; L187-F191 WeakPolarHBondContact O-CD2 3.49Å; L187-F191 PolarHBondContact O-N 2.7Å; R189-F191 PolarHBondContact O-N 2.77Å; F191-N193 VanDerWaalsContact C-N 3.28Å; F191-N193 PolarHBondContact O-N 3.4Å; F191-N194 PolarHBondContact O-N 2.88Å; F191-N194 VanDerWaalsContact O-N 3.16Å; F191-V196 HydrophobicContact CD1-CB 4.18Å; F191-V196 HydrophobicContact CD1-CG2 4.16Å; F191-V196 HydrophobicContact CD2-CG2 4.1Å; F191-V196 HydrophobicContact CE1-CB 4.02Å; F191-V196 HydrophobicContact CE1-CG1 3.96Å; F191-V196 HydrophobicContact CE1-CG2 4.24Å; F191-V196 HydrophobicContact CE2-CG2 4.17Å; F191-V196 HydrophobicContact CG-CG2 4.1Å; F191-V196 HydrophobicContact CZ-CB 4.3Å; F191-V196 HydrophobicContact CZ-CG1 3.93Å; F191-V196 HydrophobicContact CZ-CG2 4.23Å; F191-F198 HydrophobicContact CE1-CE2 4.26Å; F191-L227 HydrophobicContact CD2-CD1 3.66Å; F191-L227 HydrophobicContact CE2-CD1 3.5Å; F191-L227 VanDerWaalsContact CE2-CD1 3.5Å; F191-L227 HydrophobicContact CZ-CD1 4.24Å; F191-F231 HydrophobicContact CB-CB 4.31Å; F191-F231 HydrophobicContact CB-CD2 3.35Å; F191-F231 HydrophobicContact CB-CE2 3.86Å; F191-F231 HydrophobicContact CB-CG 4.08Å; F191-F231 HydrophobicContact CD1-CB 3.9Å; F191-F231 HydrophobicContact CD1-CD2 4.47Å; F191-F231 HydrophobicContact CD2-CD2 4.23Å; F191-F231 HydrophobicContact CE1-CB 4.35Å; F191-F231 HydrophobicContact CG-CB 4.03Å; F191-F231 AromaticContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CG 4.32Å; F191-L232 HydrophobicContact CZ-CD2 4.14Å
192L92.8Very high93Very high80 Ų8048.8 Ų48.842%0.41922%0.224SC..Hα-helixtrans-61.8-36.8176.2-71.8179.3000112.5H188 R189 N194 F231 P650H188-L192 WeakPolarHBondContact O-CG 3.43Å; H188-L192 PolarHBondContact O-N 2.62Å; H188-L192 VanDerWaalsContact O-N 3.11Å; R189-L192 PolarHBondContact O-N 2.91Å; L192-N194 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 3.41Å; L192-F231 HydrophobicContact CD2-CE1 4.41Å; L192-F231 HydrophobicContact CD2-CE2 4.32Å; L192-F231 HydrophobicContact CD2-CZ 3.69Å; L192-F231 HydrophobicContact CG-CE2 4.37Å; L192-F231 HydrophobicContact CG-CZ 4.2Å; L192-P650 HydrophobicContact CD2-CG 4.18Å
193N93.9Very high92.5Very high114 Ų11453.2 Ų53.261%0.6124%0.243SC*.THydrogen-bonded Turntrans-82.10179.1-67.4-9.4000113.4R189 L190 F191 S195R189-N193 WeakPolarHBondContact O-CB 3.2Å; R189-N193 VanDerWaalsContact O-CG 3.24Å; R189-N193 PolarHBondContact O-N 3.48Å; L190-N193 PolarHBondContact O-N 2.87Å; F191-N193 VanDerWaalsContact C-N 3.28Å; F191-N193 PolarHBondContact O-N 3.4Å; N193-S195 PolarHBondContact O-N 2.94Å
194N92.1Very high92Very high50 Ų5047.1 Ų47.127%0.26723%0.227SC..THydrogen-bonded Turntrans55.732.7-172.9-53-55.6000113.6L190 F191 L192 V196 S651L190-N194 PolarHBondContact O-N 2.99Å; F191-N194 PolarHBondContact O-N 2.88Å; F191-N194 VanDerWaalsContact O-N 3.16Å; L192-N194 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 3.41Å; N194-V196 VanDerWaalsContact C-N 3.26Å; N194-S651 PolarHBondContact OD1-O 3.45Å
195S93.2Very high91.5Very high31 Ų3147.8 Ų47.822%0.21723%0.233CC..  trans-887.3177.9-51.50000112.9E158 R159 I160 L190 N193E158-S195 WeakPolarHBondContact O-CB 2.96Å; R159-S195 WeakPolarHBondContact CA-O 3.24Å; I160-S195 PolarHBondContact N-O 3.1Å; L190-S195 PolarHBondContact O-N 3.49Å; N193-S195 PolarHBondContact O-N 2.94Å
196V94.7Very high91.1Very high0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-110.3115.1175.2-172.70000109I160 L162 L190 F191 N194 F198I160-V196 HydrophobicContact CB-CG1 4.26Å; I160-V196 HydrophobicContact CB-CG2 4.27Å; I160-V196 HydrophobicContact CG2-CG1 4.21Å; I160-V196 CarbonylContact O-C 3.57Å; I160-V196 VanDerWaalsContact O-CA 3.29Å; I160-V196 WeakPolarHBondContact O-CA 3.23Å; L162-V196 HydrophobicContact CD1-CG1 4.06Å; L190-V196 HydrophobicContact CB-CG2 3.9Å; F191-V196 HydrophobicContact CD1-CB 4.18Å; F191-V196 HydrophobicContact CD1-CG2 4.16Å; F191-V196 HydrophobicContact CD2-CG2 4.1Å; F191-V196 HydrophobicContact CE1-CB 4.02Å; F191-V196 HydrophobicContact CE1-CG1 3.96Å; F191-V196 HydrophobicContact CE1-CG2 4.24Å; F191-V196 HydrophobicContact CE2-CG2 4.17Å; F191-V196 HydrophobicContact CG-CG2 4.1Å; F191-V196 HydrophobicContact CZ-CB 4.3Å; F191-V196 HydrophobicContact CZ-CG1 3.93Å; F191-V196 HydrophobicContact CZ-CG2 4.23Å; N194-V196 VanDerWaalsContact C-N 3.26Å; V196-F198 HydrophobicContact CG1-CD2 4.4Å; V196-F198 HydrophobicContact CG1-CE2 3.87Å
197T94Very high91Very high1 Ų147.3 Ų47.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-111131.8-177.9-44.60000110.1R159 I160 D161 L162 Y199 I655R159-T197 PolarHBondContact NH2-OG1 2.83Å; I160-T197 PolarHBondContact O-N 2.97Å; D161-T197 VanDerWaalsContact OD1-CB 3.26Å; D161-T197 WeakPolarHBondContact OD1-CB 3.36Å; D161-T197 PolarHBondContact OD1-OG1 3.37Å; D161-T197 VanDerWaalsContact OD1-OG1 3.07Å; L162-T197 PolarHBondContact N-O 3.29Å; T197-Y199 HydrophobicContact CG2-CE2 4.46Å; T197-I655 HydrophobicContact CG2-CD1 4.34Å; T197-I655 HydrophobicContact CG2-CG1 4.39Å
198F94.5Very high91Very high1 Ų148 Ų480%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-104.5115.4172.1-72.4-106.1000109.4L162 Y177 F191 V196 L232 P233 F235L162-F198 HydrophobicContact CB-CD1 4.22Å; L162-F198 HydrophobicContact CB-CG 4.49Å; L162-F198 HydrophobicContact CD1-CD1 3.73Å; L162-F198 HydrophobicContact CD1-CD2 4.08Å; L162-F198 HydrophobicContact CD1-CE1 3.3Å; L162-F198 HydrophobicContact CD1-CE2 3.68Å; L162-F198 HydrophobicContact CD1-CG 4.11Å; L162-F198 HydrophobicContact CD1-CZ 3.27Å; Y177-F198 AromaticContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CE1-CD1 4.22Å; F191-F198 HydrophobicContact CE1-CE2 4.26Å; V196-F198 HydrophobicContact CG1-CD2 4.4Å; V196-F198 HydrophobicContact CG1-CE2 3.87Å; F198-L232 HydrophobicContact CZ-CD2 4.26Å; F198-P233 HydrophobicContact CD1-CG 4.19Å; F198-P233 HydrophobicContact CD2-CG 3.58Å; F198-P233 HydrophobicContact CE1-CG 4.25Å; F198-P233 HydrophobicContact CE2-CG 3.66Å; F198-P233 HydrophobicContact CG-CG 3.86Å; F198-P233 HydrophobicContact CZ-CG 4Å; F198-F235 HydrophobicContact CB-CE1 4.02Å; F198-F235 HydrophobicContact CB-CZ 4.03Å; F198-F235 HydrophobicContact CD1-CZ 4.14Å; F198-F235 HydrophobicContact CG-CE1 4.38Å; F198-F235 HydrophobicContact CG-CZ 4.38Å
199Y93Very high91.1Very high45 Ų4547.3 Ų47.318%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-78.2131.9174.4-74.5-82.4000110.3D161 L162 P164 Y177 T197 I655 Q657D161-Y199 HydrophobicContact CB-CE2 3.84Å; L162-Y199 PolarHBondContact O-N 3.49Å; P164-Y199 VanDerWaalsContact CD-O 3.31Å; P164-Y199 WeakPolarHBondContact CD-O 3.48Å; Y177-Y199 VanDerWaalsContact CE1-O 3.28Å; Y177-Y199 WeakPolarHBondContact CE1-O 3.46Å; Y177-Y199 PolarHBondContact OH-O 3.05Å; Y177-Y199 VanDerWaalsContact OH-O 3.09Å; T197-Y199 HydrophobicContact CG2-CE2 4.46Å; Y199-I655 HydrophobicContact CD1-CB 4.4Å; Y199-I655 HydrophobicContact CE1-CB 4.21Å; Y199-I655 HydrophobicContact CE1-CG2 4.24Å; Y199-Q657 HydrophobicContact CD1-CG 4.42Å
200R91.6Very high91.2Very high47 Ų4740.3 Ų40.318%0.17721%0.214CC..EExtended strand (participates in β ladder)trans-110.1143.1176.8-67.7-170.869.4-165.61.5111.1T202 V205 F235 L654 I655 L656 Q657R200-T202 PolarHBondContact O-N 3.45Å; R200-V205 PolarHBondContact NH2-O 2.76Å; R200-F235 HydrophobicContact CG-CE1 4.39Å; R200-F235 HydrophobicContact CG-CE2 4.28Å; R200-F235 HydrophobicContact CG-CZ 4.14Å; R200-L654 HydrophobicContact CG-CD2 4.25Å; R200-I655 PolarHBondContact N-O 3.43Å; R200-L656 HydrophobicContact CB-CD2 4.07Å; R200-Q657 PolarHBondContact O-N 2.88Å
201P90.3Very high91.3Very high14 Ų1439.8 Ų39.89%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-61.7136.2170.926.6-33000109.6L166 V205 W208L166-P201 HydrophobicContact CD1-CB 4.15Å; L166-P201 HydrophobicContact CD2-CB 4.23Å; L166-P201 HydrophobicContact CD2-CG 4.15Å; P201-V205 WeakPolarHBondContact O-CG2 3.41Å; P201-W208 HydrophobicContact CB-CZ2 4.45Å; P201-W208 VanDerWaalsContact CG-CD1 3.41Å; P201-W208 HydrophobicContact CG-CD2 4.08Å; P201-W208 HydrophobicContact CG-CG 3.83Å
202T86.2Confident91.5Very high49 Ų4939.7 Ų39.730%0.30121%0.211SC..SBendtrans-75.8-35.6175.538.20000112.5R200 V205 L656 Q657 T658R200-T202 PolarHBondContact O-N 3.45Å; T202-V205 WeakPolarHBondContact O-CG2 3.34Å; T202-L656 HydrophobicContact CG2-CB 3.71Å; T202-Q657 WeakPolarHBondContact CB-O 3.46Å; T202-Q657 WeakPolarHBondContact CG2-O 3.16Å; T202-Q657 PolarHBondContact OG1-O 2.98Å; T202-T658 HydrophobicContact CG2-CG2 3.92Å
203E85.7Confident91.7Very high115 Ų11535.9 Ų35.954%0.53719%0.191SC..THydrogen-bonded Turntrans-81.7134.7-179.3-63.4177.4-164.300111V205 W208E203-V205 PolarHBondContact O-N 3.42Å; E203-V205 VanDerWaalsContact O-N 3.16Å; E203-W208 PolarHBondContact O-NE1 2.85Å
204C81.1Confident91.9Very high52 Ų5230.4 Ų30.435%0.35116%0.162SC..THydrogen-bonded Turntrans49.241.9176.3-65.20000113.3R173 D206 D207 W208R173-C204 PolarHBondContact NH1-SG 3.42Å; C204-D206 PolarHBondContact O-N 2.99Å; C204-D207 HydrophobicContact CB-CB 4.13Å; C204-D207 WeakPolarHBondContact CB-OD2 3.45Å; C204-D207 PolarHBondContact O-N 3.27Å; C204-W208 PolarHBondContact O-NE1 3.36Å
205V82.5Confident92.1Very high43 Ų4328 Ų2826%0.26115%0.149SC..THydrogen-bonded Turntrans-45.3-37.5-174.9-174.70000113.2R200 P201 T202 E203R200-V205 PolarHBondContact NH2-O 2.76Å; P201-V205 WeakPolarHBondContact O-CG2 3.41Å; T202-V205 WeakPolarHBondContact O-CG2 3.34Å; E203-V205 PolarHBondContact O-N 3.42Å; E203-V205 VanDerWaalsContact O-N 3.16Å
206D84Confident92.3Very high85 Ų8526.6 Ų26.646%0.45514%0.139SC..THydrogen-bonded Turntrans-79.6-27.8-179.4-80.1-37.3000113.3C204 W208 K290 R770C204-D206 PolarHBondContact O-N 2.99Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.7Å; D206-K290 WeakPolarHBondContact O-CE 3.39Å; D206-K290 PolarHBondContact O-NZ 3.06Å; D206-R770 IonicContact OD1-CZ 3.81Å; D206-R770 IonicContact OD1-NH1 2.61Å; D206-R770 PolarHBondContact OD1-NH1 2.72Å; D206-R770 IonicContact OD1-NH2 3.32Å; D206-R770 PolarHBondContact OD1-NH2 3.32Å; D206-R770 IonicContact OD2-NH1 3.59Å
207D91.3Very high92.3Very high83 Ų8327.7 Ų27.744%0.44415%0.145SC..THydrogen-bonded Turntrans-82.1-13.4-171.4-58.2-29.1000113.7C204C204-D207 HydrophobicContact CB-CB 4.13Å; C204-D207 WeakPolarHBondContact CB-OD2 3.45Å; C204-D207 PolarHBondContact O-N 3.27Å
208W94Very high92.3Very high15 Ų1529.1 Ų29.16%0.05715%0.15CC..EExtended strand (participates in β ladder)trans-74.1125.5179.8-65.398.1000112.1L92 L166 R173 V174 A175 P201 E203 C204 D206L92-W208 HydrophobicContact CD1-CH2 3.81Å; L166-W208 HydrophobicContact CB-CH2 3.69Å; L166-W208 HydrophobicContact CB-CZ3 3.87Å; L166-W208 HydrophobicContact CD1-CH2 4.24Å; L166-W208 HydrophobicContact CD1-CZ2 4.33Å; L166-W208 HydrophobicContact CD2-CD2 4.35Å; L166-W208 HydrophobicContact CD2-CE3 4.02Å; L166-W208 HydrophobicContact CD2-CH2 3.92Å; L166-W208 HydrophobicContact CD2-CZ2 4.25Å; L166-W208 HydrophobicContact CD2-CZ3 3.8Å; L166-W208 HydrophobicContact CG-CH2 4.16Å; L166-W208 HydrophobicContact CG-CZ3 4.36Å; R173-W208 HydrophobicContact CB-CD2 3.96Å; R173-W208 HydrophobicContact CB-CE3 3.56Å; R173-W208 HydrophobicContact CB-CH2 4.26Å; R173-W208 HydrophobicContact CB-CZ3 3.73Å; V174-W208 WeakPolarHBondContact O-CZ3 3.3Å; A175-W208 HydrophobicContact CB-CB 4.32Å; A175-W208 HydrophobicContact CB-CE3 4.08Å; P201-W208 HydrophobicContact CB-CZ2 4.45Å; P201-W208 VanDerWaalsContact CG-CD1 3.41Å; P201-W208 HydrophobicContact CG-CD2 4.08Å; P201-W208 HydrophobicContact CG-CG 3.83Å; E203-W208 PolarHBondContact O-NE1 2.85Å; C204-W208 PolarHBondContact O-NE1 3.36Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.7Å
209F96.1Very high92Very high1 Ų132.4 Ų32.40%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-81.7114.9163.1-172.8-99.3000109.5R173 V174 A175 V211 D237 L238 I287 E289 F292R173-F209 PolarHBondContact O-N 3.44Å; V174-F209 WeakPolarHBondContact CA-O 3.29Å; V174-F209 HydrophobicContact CG2-CB 4.48Å; A175-F209 PolarHBondContact N-O 2.92Å; F209-V211 HydrophobicContact CD1-CG2 3.57Å; F209-V211 HydrophobicContact CE1-CG2 3.46Å; F209-V211 VanDerWaalsContact CE1-CG2 3.46Å; F209-D237 HydrophobicContact CD2-CB 3.81Å; F209-D237 HydrophobicContact CE2-CB 3.55Å; F209-D237 HydrophobicContact CG-CB 4.47Å; F209-D237 HydrophobicContact CZ-CB 4Å; F209-L238 HydrophobicContact CE1-CB 4.12Å; F209-L238 HydrophobicContact CE1-CD2 4.4Å; F209-L238 HydrophobicContact CZ-CB 3.94Å; F209-I287 HydrophobicContact CB-CG2 4.18Å; F209-I287 HydrophobicContact CD1-CD1 3.87Å; F209-I287 HydrophobicContact CD1-CG1 4.29Å; F209-I287 HydrophobicContact CD1-CG2 3.67Å; F209-I287 HydrophobicContact CD2-CG2 4.49Å; F209-I287 HydrophobicContact CE1-CD1 3.89Å; F209-I287 HydrophobicContact CE1-CG1 4.1Å; F209-I287 HydrophobicContact CE1-CG2 4.13Å; F209-I287 HydrophobicContact CG-CG2 3.87Å; F209-E289 WeakPolarHBondContact CB-O 3.41Å; F209-F292 HydrophobicContact CE1-CB 4.42Å; F209-F292 HydrophobicContact CE2-CB 4.23Å; F209-F292 AromaticContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CE1 4.46Å; F209-F292 HydrophobicContact CE2-CG 4.25Å; F209-F292 HydrophobicContact CZ-CB 3.77Å; F209-F292 AromaticContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CE1 4.31Å; F209-F292 AromaticContact CZ-CG 3.74Å; F209-F292 HydrophobicContact CZ-CG 3.74Å
210S95.8Very high91.7Very high4 Ų436.5 Ų36.53%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-96.6111.6-172.3-61.40000111.1A175 D237 L238A175-S210 WeakPolarHBondContact O-CA 3.38Å; S210-D237 PolarHBondContact N-OD2 3.2Å; S210-D237 PolarHBondContact O-N 3.06Å; S210-L238 PolarHBondContact O-N 3.05Å
211V97.1Very high91.3Very high3 Ų340.6 Ų40.62%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-105.8127.2176.8-1770000109.1V174 A175 L176 Y177 F209 L238 I240 I287V174-V211 HydrophobicContact CG1-CG2 4.12Å; A175-V211 PolarHBondContact O-N 2.79Å; L176-V211 CarbonylContact C-O 3.59Å; L176-V211 WeakPolarHBondContact CA-O 3.39Å; L176-V211 HydrophobicContact CD1-CB 4.1Å; L176-V211 HydrophobicContact CD1-CG1 4Å; Y177-V211 PolarHBondContact N-O 2.91Å; F209-V211 HydrophobicContact CD1-CG2 3.57Å; F209-V211 HydrophobicContact CE1-CG2 3.46Å; F209-V211 VanDerWaalsContact CE1-CG2 3.46Å; V211-L238 CarbonylContact C-O 3.52Å; V211-L238 VanDerWaalsContact CA-O 3.32Å; V211-L238 WeakPolarHBondContact CA-O 3.28Å; V211-L238 HydrophobicContact CG2-CB 4.5Å; V211-I240 HydrophobicContact CG1-CG1 4.1Å; V211-I287 HydrophobicContact CG2-CD1 4.23Å
212C97.3Very high91.1Very high0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-114.2127174.8-170.70000110.5Y177 L236 L238 I239 I240Y177-C212 WeakPolarHBondContact O-CA 3.4Å; C212-L236 HydrophobicContact CB-CD1 3.78Å; C212-L236 HydrophobicContact CB-CD2 4Å; C212-L236 HydrophobicContact CB-CG 4.48Å; C212-L238 PolarHBondContact N-O 3.19Å; C212-I239 HydrophobicContact CB-CG1 4.34Å; C212-I239 CarbonylContact O-C 3.24Å; C212-I239 VanDerWaalsContact O-CA 3.27Å; C212-I239 WeakPolarHBondContact O-CA 3.49Å; C212-I240 PolarHBondContact O-N 3.25Å
213T97.5Very high91.2Very high0 Ų044.1 Ų44.10%024%0.239CC..EExtended strand (participates in β ladder)trans-105.3125.4175.8-48.60000108.8A56 I123 Y177 L179 I240A56-T213 HydrophobicContact CB-CG2 3.26Å; I123-T213 HydrophobicContact CD1-CG2 3.72Å; I123-T213 HydrophobicContact CG1-CG2 4.09Å; Y177-T213 PolarHBondContact O-N 2.84Å; L179-T213 PolarHBondContact N-O 3.42Å; T213-I240 WeakPolarHBondContact CA-O 3.28Å; T213-I240 HydrophobicContact CG2-CB 4.28Å; T213-I240 HydrophobicContact CG2-CG2 4.32Å
214V97.3Very high91.4Very high0 Ų041.3 Ų41.30%023%0.23CC..EExtended strand (participates in β ladder)trans-130.7147.2-177.1-56.50000110.4L179 I239 I240 W241 G242L179-V214 HydrophobicContact CB-CG1 4.1Å; L179-V214 HydrophobicContact CD2-CG1 4.15Å; V214-I239 HydrophobicContact CG2-CG2 4.04Å; V214-I240 PolarHBondContact N-O 2.69Å; V214-W241 HydrophobicContact CG2-CB 4.46Å; V214-W241 HydrophobicContact CG2-CD2 3.7Å; V214-W241 HydrophobicContact CG2-CE3 3.99Å; V214-W241 HydrophobicContact CG2-CG 3.94Å; V214-W241 HydrophobicContact CG2-CZ3 4.5Å; V214-G242 PolarHBondContact O-N 3.37Å
215H97.4Very high92Very high0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-127.282.2176.5-162.997.7000110.4D18 A56 G57 D58 I123 G125 N126 S181 H243D18-H215 IonicContact OD1-CE1 2.99Å; D18-H215 PolarHBondContact OD1-CE1 3.11Å; D18-H215 VanDerWaalsContact OD1-CE1 3.24Å; D18-H215 IonicContact OD1-NE2 3.7Å; D18-H215 IonicContact OD2-CE1 3.9Å; A56-H215 PolarHBondContact O-ND1 3.19Å; G57-H215 WeakPolarHBondContact CA-ND1 3.39Å; D58-H215 IonicContact OD1-CE1 2.77Å; D58-H215 IonicContact OD1-NE2 3.11Å; D58-H215 IonicContact OD2-CE1 3.13Å; D58-H215 IonicContact OD2-NE2 3.11Å; I123-H215 HydrophobicContact CD1-CB 3.91Å; G125-H215 WeakPolarHBondContact CA-CD2 3.39Å; N126-H215 PolarHBondContact OD1-CD2 2.8Å; N126-H215 PolarHBondContact OD1-NE2 2.88Å; S181-H215 PolarHBondContact OG-O 2.93Å; H215-H243 AromaticContact CD2-ND1 3.74Å; H215-H243 PolarHBondContact CE1-N 3.44Å; H215-H243 PolarHBondContact ND1-N 3.32Å; H215-H243 WeakPolarHBondContact NE2-CA 3.42Å; H215-H243 AromaticContact NE2-CG 4Å; H215-H243 AromaticContact NE2-ND1 3.57Å
216Q96Very high92.5Very high0 Ų039.9 Ų39.90%022%0.217CC..SBendtrans-148.4154.1-169.8-67.4-64.3-60.900111.3V182 L187 R218 L227 W241V182-Q216 PolarHBondContact O-NE2 3.43Å; V182-Q216 PolarHBondContact O-OE1 2.86Å; L187-Q216 HydrophobicContact CD2-CG 3.6Å; Q216-R218 PolarHBondContact O-N 2.87Å; Q216-L227 HydrophobicContact CB-CB 4.02Å; Q216-L227 HydrophobicContact CB-CD2 4.37Å; Q216-L227 HydrophobicContact CG-CB 4.4Å; Q216-L227 HydrophobicContact CG-CD2 4.18Å; Q216-W241 PolarHBondContact O-NE1 3.37Å
217N96.1Very high93Very high24 Ų2436 Ų3613%0.12820%0.196CC..  trans-55.6125.3167.9-79.9-63.2000111.9E184 Y226 L227 H243E184-N217 VanDerWaalsContact CD-ND2 3.3Å; E184-N217 HydrophobicContact CG-CB 3.98Å; E184-N217 PolarHBondContact OE1-ND2 2.88Å; N217-Y226 WeakPolarHBondContact O-CA 3.43Å; N217-L227 PolarHBondContact O-N 3.38Å; N217-H243 VanDerWaalsContact CG-NE2 3.26Å; N217-H243 PolarHBondContact N-CD2 3Å; N217-H243 PolarHBondContact ND2-NE2 3.05Å; N217-H243 VanDerWaalsContact ND2-NE2 3.17Å; N217-H243 PolarHBondContact OD1-CD2 2.9Å; N217-H243 VanDerWaalsContact OD1-CD2 3.32Å; N217-H243 PolarHBondContact OD1-NE2 2.86Å
218R93.6Very high93.1Very high31 Ų3132.7 Ų32.712%0.11718%0.179CC..  trans-93.6-36171.5-162.9176.9175.9-159.5-2.6110.7Q216 E229 W241 E244 E252 Q263Q216-R218 PolarHBondContact O-N 2.87Å; R218-E229 IonicContact CZ-OE1 2.72Å; R218-E229 VanDerWaalsContact CZ-OE1 3.24Å; R218-E229 IonicContact NE-OE1 3.6Å; R218-E229 PolarHBondContact NE-OE1 2.72Å; R218-E229 IonicContact NH2-OE1 3.83Å; R218-E229 PolarHBondContact NH2-OE1 3.33Å; R218-W241 HydrophobicContact CB-CD2 4.47Å; R218-W241 HydrophobicContact CB-CZ2 3.98Å; R218-W241 HydrophobicContact CG-CD2 4.23Å; R218-W241 HydrophobicContact CG-CH2 4.38Å; R218-W241 HydrophobicContact CG-CZ2 3.88Å; R218-E244 WeakPolarHBondContact CA-OE1 3.35Å; R218-E244 HydrophobicContact CB-CG 3.67Å; R218-E244 PolarHBondContact N-OE1 3.47Å; R218-E252 IonicContact CZ-OE2 3.29Å; R218-E252 IonicContact NH1-OE2 3.27Å; R218-E252 PolarHBondContact NH1-OE2 2.95Å; R218-E252 IonicContact NH2-OE2 3.77Å; R218-E252 PolarHBondContact NH2-OE2 3.04Å; R218-Q263 VanDerWaalsContact CD-OE1 3.26Å
219V87.6Confident93.1Very high70 Ų7033.9 Ų33.942%0.42419%0.185SC..SBendtrans-79.6143.8-179.1-177.70000111.1H221 Y226 E244V219-H221 PolarHBondContact O-N 2.96Å; V219-H221 VanDerWaalsContact O-N 3.12Å; V219-Y226 WeakPolarHBondContact O-CB 3.25Å; V219-E244 PolarHBondContact N-OE1 2.84Å
220H86.5Confident92.9Very high130 Ų13037.2 Ų37.260%0.60220%0.203SC*.  trans-72.7101.3176.4-58.2-87000111.5Y226H220-Y226 AromaticContact CE1-CD2 3.93Å; H220-Y226 AromaticContact CE1-CE1 3.76Å; H220-Y226 AromaticContact CE1-CE2 3.17Å; H220-Y226 WeakPolarHBondContact CE1-CE2 3.19Å; H220-Y226 AromaticContact CE1-CZ 3.09Å; H220-Y226 PolarHBondContact CE1-OH 3.33Å; H220-Y226 AromaticContact ND1-CD1 3.6Å; H220-Y226 AromaticContact ND1-CD2 3.78Å; H220-Y226 AromaticContact ND1-CE1 3.14Å; H220-Y226 WeakPolarHBondContact ND1-CE1 3.48Å; H220-Y226 AromaticContact ND1-CE2 3.33Å; H220-Y226 VanDerWaalsContact ND1-CE2 3.33Å; H220-Y226 WeakPolarHBondContact ND1-CE2 3.45Å; H220-Y226 AromaticContact ND1-CG 3.92Å; H220-Y226 AromaticContact ND1-CZ 3.01Å; H220-Y226 PolarHBondContact ND1-OH 3.49Å
221H83Confident92.7Very high133 Ų13338.4 Ų38.462%0.61621%0.208SC*.SBendtrans-89.1-28.1167.4-69-59.9000112.9V219V219-H221 PolarHBondContact O-N 2.96Å; V219-H221 VanDerWaalsContact O-N 3.12Å
222G86.3Confident92.6Very high22 Ų2238.2 Ų38.223%0.22721%0.207CC..SBendtrans-151.4-177.1176.500000110.6T224G222-T224 PolarHBondContact O-N 3.45Å
223P88.3Confident92.4Very high115 Ų11538.7 Ų38.775%0.74721%0.21SC*.SBendtrans-65.1-26.8177.327.2-34.3000112.9
224T91.1Very high92.2Very high56 Ų5643 Ų4334%0.34423%0.233SC..SBendtrans-128.6-5.1-175.750.40000114.1G222 Y226G222-T224 PolarHBondContact O-N 3.45Å; T224-Y226 PolarHBondContact O-N 3.12Å; T224-Y226 VanDerWaalsContact O-N 3.1Å
225S92.3Very high92Very high27 Ų2743.5 Ų43.519%0.18924%0.235CC..SBendtrans-8746.4-176.3-49.30000112.7E185E185-S225 VanDerWaalsContact OE1-CB 3.31Å; E185-S225 WeakPolarHBondContact OE1-CB 3.3Å; E185-S225 PolarHBondContact OE1-OG 3.18Å
226Y94.2Very high91.8Very high39 Ų3943.5 Ų43.515%0.15324%0.235CC..SBendtrans-164.9163.1174.874.2-72.2000109.5N217 V219 H220 T224 P228N217-Y226 WeakPolarHBondContact O-CA 3.43Å; V219-Y226 WeakPolarHBondContact O-CB 3.25Å; H220-Y226 AromaticContact CE1-CD2 3.93Å; H220-Y226 AromaticContact CE1-CE1 3.76Å; H220-Y226 AromaticContact CE1-CE2 3.17Å; H220-Y226 WeakPolarHBondContact CE1-CE2 3.19Å; H220-Y226 AromaticContact CE1-CZ 3.09Å; H220-Y226 PolarHBondContact CE1-OH 3.33Å; H220-Y226 AromaticContact ND1-CD1 3.6Å; H220-Y226 AromaticContact ND1-CD2 3.78Å; H220-Y226 AromaticContact ND1-CE1 3.14Å; H220-Y226 WeakPolarHBondContact ND1-CE1 3.48Å; H220-Y226 AromaticContact ND1-CE2 3.33Å; H220-Y226 VanDerWaalsContact ND1-CE2 3.33Å; H220-Y226 WeakPolarHBondContact ND1-CE2 3.45Å; H220-Y226 AromaticContact ND1-CG 3.92Å; H220-Y226 AromaticContact ND1-CZ 3.01Å; H220-Y226 PolarHBondContact ND1-OH 3.49Å; T224-Y226 PolarHBondContact O-N 3.12Å; T224-Y226 VanDerWaalsContact O-N 3.1Å; Y226-P228 HydrophobicContact CD2-CG 4.25Å; Y226-P228 HydrophobicContact CE2-CB 3.77Å; Y226-P228 HydrophobicContact CE2-CG 3.52Å; Y226-P228 WeakPolarHBondContact O-CD 3.38Å
227L94.4Very high91.8Very high2 Ų244 Ų441%0.0124%0.238CC..  trans-98.8108.1171178.962.8000110L179 L187 F191 Q216 N217 E229 F231 L232 W241L179-L227 HydrophobicContact CD2-CD2 4.48Å; L187-L227 HydrophobicContact CD2-CD1 4.25Å; L187-L227 HydrophobicContact CD2-CD2 4.21Å; F191-L227 HydrophobicContact CD2-CD1 3.66Å; F191-L227 HydrophobicContact CE2-CD1 3.5Å; F191-L227 VanDerWaalsContact CE2-CD1 3.5Å; F191-L227 HydrophobicContact CZ-CD1 4.24Å; Q216-L227 HydrophobicContact CB-CB 4.02Å; Q216-L227 HydrophobicContact CB-CD2 4.37Å; Q216-L227 HydrophobicContact CG-CB 4.4Å; Q216-L227 HydrophobicContact CG-CD2 4.18Å; N217-L227 PolarHBondContact O-N 3.38Å; L227-E229 PolarHBondContact O-N 3.4Å; L227-F231 HydrophobicContact CD1-CB 4.23Å; L227-F231 HydrophobicContact CD1-CD2 4.23Å; L227-L232 HydrophobicContact CD2-CD2 4.37Å; L227-W241 HydrophobicContact CB-CZ2 4.26Å; L227-W241 HydrophobicContact CD2-CH2 4.45Å; L227-W241 HydrophobicContact CG-CH2 4.44Å; L227-W241 WeakPolarHBondContact O-CH2 3.36Å
228P93.1Very high91.8Very high15 Ų1542.9 Ų42.910%0.09723%0.232CC..  trans-63131.5174-14.424.6000110.9Y226 N230 F231Y226-P228 HydrophobicContact CD2-CG 4.25Å; Y226-P228 HydrophobicContact CE2-CB 3.77Å; Y226-P228 HydrophobicContact CE2-CG 3.52Å; Y226-P228 WeakPolarHBondContact O-CD 3.38Å; P228-N230 PolarHBondContact O-N 3.23Å; P228-F231 HydrophobicContact CB-CD1 4.19Å; P228-F231 HydrophobicContact CB-CE1 4.41Å; P228-F231 HydrophobicContact CB-CG 4.33Å; P228-F231 HydrophobicContact CG-CD1 4.16Å; P228-F231 HydrophobicContact CG-CD2 4.07Å; P228-F231 HydrophobicContact CG-CE1 4.04Å; P228-F231 HydrophobicContact CG-CE2 3.95Å; P228-F231 HydrophobicContact CG-CG 4.18Å; P228-F231 HydrophobicContact CG-CZ 3.93Å; P228-F231 WeakPolarHBondContact O-CB 3.31Å; P228-F231 PolarHBondContact O-N 3.46Å
229E93.8Very high92Very high40 Ų4041.4 Ų41.419%0.18723%0.226CC..G310 helixtrans-55.2-29.1175.4-57.2-172.7-17300112.1R218 L227 F231 L232 W241 N254 F259R218-E229 IonicContact CZ-OE1 2.72Å; R218-E229 VanDerWaalsContact CZ-OE1 3.24Å; R218-E229 IonicContact NE-OE1 3.6Å; R218-E229 PolarHBondContact NE-OE1 2.72Å; R218-E229 IonicContact NH2-OE1 3.83Å; R218-E229 PolarHBondContact NH2-OE1 3.33Å; L227-E229 PolarHBondContact O-N 3.4Å; E229-F231 PolarHBondContact O-N 2.78Å; E229-L232 PolarHBondContact O-N 2.71Å; E229-W241 HydrophobicContact CG-CH2 3.84Å; E229-W241 HydrophobicContact CG-CZ3 3.74Å; E229-N254 VanDerWaalsContact CB-ND2 3.34Å; E229-N254 WeakPolarHBondContact CB-ND2 3.16Å; E229-N254 PolarHBondContact OE2-ND2 2.96Å; E229-F259 HydrophobicContact CB-CE2 4.46Å; E229-F259 HydrophobicContact CB-CZ 4.23Å; E229-F259 WeakPolarHBondContact O-CZ 3.36Å
230N92.4Very high92.4Very high71 Ų7138.1 Ų38.138%0.3821%0.206SC..G310 helixtrans-67.6-14.3177.9-67.9-22.3000114.6P228 L232 S256 K257P228-N230 PolarHBondContact O-N 3.23Å; N230-L232 VanDerWaalsContact C-N 3.34Å; N230-S256 VanDerWaalsContact OD1-CB 3.31Å; N230-S256 WeakPolarHBondContact OD1-CB 3.31Å; N230-K257 WeakPolarHBondContact O-CE 3.49Å; N230-K257 PolarHBondContact O-NZ 3.34Å
231F92.1Very high93Very high28 Ų2832 Ų3212%0.12318%0.178CC..G310 helixtrans-78.7-24.2175.6-75.36.8000111.8H188 F191 L192 L227 P228 E229H188-F231 AromaticContact CD2-CE2 3.79Å; H188-F231 AromaticContact CE1-CE2 3.93Å; H188-F231 AromaticContact CE1-CZ 3.87Å; H188-F231 AromaticContact NE2-CE2 3.7Å; H188-F231 AromaticContact NE2-CZ 3.71Å; F191-F231 HydrophobicContact CB-CB 4.31Å; F191-F231 HydrophobicContact CB-CD2 3.35Å; F191-F231 HydrophobicContact CB-CE2 3.86Å; F191-F231 HydrophobicContact CB-CG 4.08Å; F191-F231 HydrophobicContact CD1-CB 3.9Å; F191-F231 HydrophobicContact CD1-CD2 4.47Å; F191-F231 HydrophobicContact CD2-CD2 4.23Å; F191-F231 HydrophobicContact CE1-CB 4.35Å; F191-F231 HydrophobicContact CG-CB 4.03Å; F191-F231 AromaticContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CG 4.32Å; L192-F231 HydrophobicContact CD2-CE1 4.41Å; L192-F231 HydrophobicContact CD2-CE2 4.32Å; L192-F231 HydrophobicContact CD2-CZ 3.69Å; L192-F231 HydrophobicContact CG-CE2 4.37Å; L192-F231 HydrophobicContact CG-CZ 4.2Å; L227-F231 HydrophobicContact CD1-CB 4.23Å; L227-F231 HydrophobicContact CD1-CD2 4.23Å; P228-F231 HydrophobicContact CB-CD1 4.19Å; P228-F231 HydrophobicContact CB-CE1 4.41Å; P228-F231 HydrophobicContact CB-CG 4.33Å; P228-F231 HydrophobicContact CG-CD1 4.16Å; P228-F231 HydrophobicContact CG-CD2 4.07Å; P228-F231 HydrophobicContact CG-CE1 4.04Å; P228-F231 HydrophobicContact CG-CE2 3.95Å; P228-F231 HydrophobicContact CG-CG 4.18Å; P228-F231 HydrophobicContact CG-CZ 3.93Å; P228-F231 WeakPolarHBondContact O-CB 3.31Å; P228-F231 PolarHBondContact O-N 3.46Å; E229-F231 PolarHBondContact O-N 2.78Å
232L94Very high93.6Very high0 Ų025.6 Ų25.60%015%0.148CC..SBendtrans-71.7147.4-179.2-63.9173.2000111.2F191 F198 L227 E229 N230 L236 I239 W241 K257 F259F191-L232 HydrophobicContact CZ-CD2 4.14Å; F198-L232 HydrophobicContact CZ-CD2 4.26Å; L227-L232 HydrophobicContact CD2-CD2 4.37Å; E229-L232 PolarHBondContact O-N 2.71Å; N230-L232 VanDerWaalsContact C-N 3.34Å; L232-L236 HydrophobicContact CB-CD1 4.29Å; L232-I239 HydrophobicContact CB-CD1 4.47Å; L232-I239 HydrophobicContact CD1-CD1 3.45Å; L232-I239 VanDerWaalsContact CD1-CD1 3.45Å; L232-I239 HydrophobicContact CD1-CG1 4.23Å; L232-I239 HydrophobicContact CD1-CG2 4.42Å; L232-W241 HydrophobicContact CD1-CH2 4.48Å; L232-W241 HydrophobicContact CD1-CZ3 4.07Å; L232-K257 WeakPolarHBondContact O-CD 3.4Å; L232-K257 WeakPolarHBondContact O-CE 3.21Å; L232-K257 PolarHBondContact O-NZ 3.4Å; L232-F259 HydrophobicContact CB-CE1 4.09Å; L232-F259 HydrophobicContact CB-CZ 4.37Å
233P93.3Very high94.1Very high10 Ų1026 Ų267%0.06514%0.144CC..  trans-62.4147.1177.9-22.733.3000112.7F198 F235F198-P233 HydrophobicContact CD1-CG 4.19Å; F198-P233 HydrophobicContact CD2-CG 3.58Å; F198-P233 HydrophobicContact CE1-CG 4.25Å; F198-P233 HydrophobicContact CE2-CG 3.66Å; F198-P233 HydrophobicContact CG-CG 3.86Å; F198-P233 HydrophobicContact CZ-CG 4Å; P233-F235 VanDerWaalsContact C-N 3.31Å; P233-F235 HydrophobicContact CB-CD1 3.33Å; P233-F235 HydrophobicContact CB-CE1 3.32Å; P233-F235 HydrophobicContact CB-CG 4.4Å; P233-F235 HydrophobicContact CB-CZ 4.38Å; P233-F235 HydrophobicContact CG-CD1 4.24Å; P233-F235 HydrophobicContact CG-CE1 3.71Å; P233-F235 PolarHBondContact O-N 3.5Å
234D93Very high94.5Very high90 Ų9021.7 Ų21.748%0.48111%0.114SC..THydrogen-bonded Turntrans-75.1-17.2178.163.3-14.7000113.4L236 K257 R768D234-L236 PolarHBondContact O-N 2.78Å; D234-K257 HydrophobicContact CB-CD 4.2Å; D234-R768 PolarHBondContact O-NH2 3.19Å
235F92.6Very high94.8Very high10 Ų1020.5 Ų20.54%0.04410%0.104CC..THydrogen-bonded Turntrans-69.5-23.4179.578.4-97.2000112.9Y177 F198 R200 P233 L654 R768Y177-F235 HydrophobicContact CE1-CZ 4.36Å; Y177-F235 AromaticContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CZ 4.34Å; Y177-F235 AromaticContact CZ-CE2 3.82Å; Y177-F235 AromaticContact CZ-CZ 3.95Å; F198-F235 HydrophobicContact CB-CE1 4.02Å; F198-F235 HydrophobicContact CB-CZ 4.03Å; F198-F235 HydrophobicContact CD1-CZ 4.14Å; F198-F235 HydrophobicContact CG-CE1 4.38Å; F198-F235 HydrophobicContact CG-CZ 4.38Å; R200-F235 HydrophobicContact CG-CE1 4.39Å; R200-F235 HydrophobicContact CG-CE2 4.28Å; R200-F235 HydrophobicContact CG-CZ 4.14Å; P233-F235 VanDerWaalsContact C-N 3.31Å; P233-F235 HydrophobicContact CB-CD1 3.33Å; P233-F235 HydrophobicContact CB-CE1 3.32Å; P233-F235 HydrophobicContact CB-CG 4.4Å; P233-F235 HydrophobicContact CB-CZ 4.38Å; P233-F235 HydrophobicContact CG-CD1 4.24Å; P233-F235 HydrophobicContact CG-CE1 3.71Å; P233-F235 PolarHBondContact O-N 3.5Å; F235-L654 HydrophobicContact CD1-CD2 3.96Å; F235-L654 HydrophobicContact CE1-CD2 3.83Å; F235-R768 PolarHBondContact O-NH1 2.89Å
236L94.7Very high95Very high0 Ų021.9 Ų21.90%011%0.108CC..  trans-59.5147177.5-62175.8000110.7Y177 C212 L232 D234 I239 F259Y177-L236 HydrophobicContact CD2-CD2 4.11Å; Y177-L236 HydrophobicContact CE2-CD2 4.32Å; C212-L236 HydrophobicContact CB-CD1 3.78Å; C212-L236 HydrophobicContact CB-CD2 4Å; C212-L236 HydrophobicContact CB-CG 4.48Å; L232-L236 HydrophobicContact CB-CD1 4.29Å; D234-L236 PolarHBondContact O-N 2.78Å; L236-I239 HydrophobicContact CD1-CG1 4.42Å; L236-F259 HydrophobicContact CB-CD1 4.47Å; L236-F259 WeakPolarHBondContact O-CB 3.44Å
237D95Very high95Very high11 Ų1120.7 Ų20.76%0.05911%0.105CC..  trans-104.7-42.3179.8-61-65.1000111.4F209 S210 Y260 R768F209-D237 HydrophobicContact CD2-CB 3.81Å; F209-D237 HydrophobicContact CE2-CB 3.55Å; F209-D237 HydrophobicContact CG-CB 4.47Å; F209-D237 HydrophobicContact CZ-CB 4Å; S210-D237 PolarHBondContact N-OD2 3.2Å; S210-D237 PolarHBondContact O-N 3.06Å; D237-Y260 PolarHBondContact O-N 3.41Å; D237-R768 WeakPolarHBondContact OD1-CD 3.45Å; D237-R768 IonicContact OD1-CZ 3.22Å; D237-R768 IonicContact OD1-NE 2.59Å; D237-R768 IonicContact OD1-NH1 3.44Å; D237-R768 PolarHBondContact OD1-NH1 3.47Å
238L96.5Very high95.1Very high0 Ų024.6 Ų24.60%012%0.12CC..EExtended strand (participates in β ladder)trans-137.5134.1-178.1-179.166.4000110.9F209 S210 V211 C212 I240 Y260 V262 L285 F292F209-L238 HydrophobicContact CE1-CB 4.12Å; F209-L238 HydrophobicContact CE1-CD2 4.4Å; F209-L238 HydrophobicContact CZ-CB 3.94Å; S210-L238 PolarHBondContact O-N 3.05Å; V211-L238 CarbonylContact C-O 3.52Å; V211-L238 VanDerWaalsContact CA-O 3.32Å; V211-L238 WeakPolarHBondContact CA-O 3.28Å; V211-L238 HydrophobicContact CG2-CB 4.5Å; C212-L238 PolarHBondContact N-O 3.19Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CG-CD1 4.14Å; L238-Y260 CarbonylContact C-O 3.59Å; L238-Y260 WeakPolarHBondContact CA-O 3.48Å; L238-V262 HydrophobicContact CD1-CB 4.43Å; L238-V262 HydrophobicContact CD1-CG2 3.76Å; L238-L285 HydrophobicContact CD2-CD1 3.7Å; L238-L285 HydrophobicContact CD2-CD2 3.67Å; L238-L285 HydrophobicContact CD2-CG 4.36Å; L238-F292 HydrophobicContact CD1-CE2 4.1Å; L238-F292 HydrophobicContact CD1-CZ 4.3Å; L238-F292 HydrophobicContact CD2-CD2 4.4Å
239I97.2Very high95.1Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-113.2125.4172.6-62158.3000108.8C212 V214 L232 L236 W241 F259 Y260 V261 V262C212-I239 HydrophobicContact CB-CG1 4.34Å; C212-I239 CarbonylContact O-C 3.24Å; C212-I239 VanDerWaalsContact O-CA 3.27Å; C212-I239 WeakPolarHBondContact O-CA 3.49Å; V214-I239 HydrophobicContact CG2-CG2 4.04Å; L232-I239 HydrophobicContact CB-CD1 4.47Å; L232-I239 HydrophobicContact CD1-CD1 3.45Å; L232-I239 VanDerWaalsContact CD1-CD1 3.45Å; L232-I239 HydrophobicContact CD1-CG1 4.23Å; L232-I239 HydrophobicContact CD1-CG2 4.42Å; L236-I239 HydrophobicContact CD1-CG1 4.42Å; I239-W241 HydrophobicContact CG2-CE3 3.69Å; I239-W241 HydrophobicContact CG2-CZ3 4.23Å; I239-F259 HydrophobicContact CD1-CD1 3.88Å; I239-F259 HydrophobicContact CD1-CD2 3.4Å; I239-F259 HydrophobicContact CD1-CE1 3.7Å; I239-F259 HydrophobicContact CD1-CE2 3.25Å; I239-F259 HydrophobicContact CD1-CG 3.74Å; I239-F259 HydrophobicContact CD1-CZ 3.4Å; I239-F259 HydrophobicContact CG1-CD2 4.35Å; I239-Y260 PolarHBondContact N-O 3.41Å; I239-V261 HydrophobicContact CB-CG2 4.43Å; I239-V261 HydrophobicContact CD1-CG2 4.31Å; I239-V261 WeakPolarHBondContact O-CA 3.27Å; I239-V262 PolarHBondContact O-N 2.93Å
240I97.7Very high95.1Very high2 Ų229.2 Ų29.21%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-94.8116.1168.4-56-53.4000107.6V15 L54 A56 V211 C212 T213 V214 L238 V262 P264V15-I240 HydrophobicContact CG1-CB 4.5Å; V15-I240 HydrophobicContact CG1-CD1 4.25Å; V15-I240 HydrophobicContact CG1-CG1 4.24Å; V15-I240 HydrophobicContact CG1-CG2 3.48Å; V15-I240 VanDerWaalsContact CG1-CG2 3.48Å; L54-I240 HydrophobicContact CD2-CG1 4.4Å; A56-I240 HydrophobicContact CB-CG2 3.89Å; V211-I240 HydrophobicContact CG1-CG1 4.1Å; C212-I240 PolarHBondContact O-N 3.25Å; T213-I240 WeakPolarHBondContact CA-O 3.28Å; T213-I240 HydrophobicContact CG2-CB 4.28Å; T213-I240 HydrophobicContact CG2-CG2 4.32Å; V214-I240 PolarHBondContact N-O 2.69Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CG-CD1 4.14Å; I240-V262 WeakPolarHBondContact CA-O 3.47Å; I240-V262 HydrophobicContact CD1-CB 3.96Å; I240-V262 HydrophobicContact CD1-CG1 4.22Å; I240-P264 HydrophobicContact CG2-CG 4.26Å
241W97.8Very high95.2Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-103.5109-176.1-146.4-67.5000110.3V214 Q216 R218 L227 E229 L232 I239 V261 V262 Q263 P264V214-W241 HydrophobicContact CG2-CB 4.46Å; V214-W241 HydrophobicContact CG2-CD2 3.7Å; V214-W241 HydrophobicContact CG2-CE3 3.99Å; V214-W241 HydrophobicContact CG2-CG 3.94Å; V214-W241 HydrophobicContact CG2-CZ3 4.5Å; Q216-W241 PolarHBondContact O-NE1 3.37Å; R218-W241 HydrophobicContact CB-CD2 4.47Å; R218-W241 HydrophobicContact CB-CZ2 3.98Å; R218-W241 HydrophobicContact CG-CD2 4.23Å; R218-W241 HydrophobicContact CG-CH2 4.38Å; R218-W241 HydrophobicContact CG-CZ2 3.88Å; L227-W241 HydrophobicContact CB-CZ2 4.26Å; L227-W241 HydrophobicContact CD2-CH2 4.45Å; L227-W241 HydrophobicContact CG-CH2 4.44Å; L227-W241 WeakPolarHBondContact O-CH2 3.36Å; E229-W241 HydrophobicContact CG-CH2 3.84Å; E229-W241 HydrophobicContact CG-CZ3 3.74Å; L232-W241 HydrophobicContact CD1-CH2 4.48Å; L232-W241 HydrophobicContact CD1-CZ3 4.07Å; I239-W241 HydrophobicContact CG2-CE3 3.69Å; I239-W241 HydrophobicContact CG2-CZ3 4.23Å; W241-V261 HydrophobicContact CB-CG1 4.19Å; W241-V261 HydrophobicContact CD2-CG1 4.47Å; W241-V261 HydrophobicContact CE3-CG1 3.8Å; W241-V262 PolarHBondContact N-O 3.5Å; W241-Q263 HydrophobicContact CB-CB 4.27Å; W241-Q263 HydrophobicContact CB-CG 4.49Å; W241-P264 WeakPolarHBondContact O-CD 3.49Å
242G96.5Very high95.3Very high0 Ų028.5 Ų28.50%014%0.137CC..EExtended strand (participates in β ladder)trans-90.7-171.3168.100000111.9T17 V214 E244T17-G242 VanDerWaalsContact OG1-CA 3.29Å; T17-G242 WeakPolarHBondContact OG1-CA 3.46Å; V214-G242 PolarHBondContact O-N 3.37Å; G242-E244 PolarHBondContact O-N 2.85Å
243H96.8Very high95.3Very high31 Ų3133.4 Ų33.414%0.14416%0.156CC..SBendtrans74.5-42.1-176-169.575.4000114.1D18 N126 H215 N217 H245D18-H243 WeakPolarHBondContact OD1-CA 3.48Å; D18-H243 PolarHBondContact OD1-N 3.28Å; D18-H243 PolarHBondContact OD2-N 2.94Å; N126-H243 PolarHBondContact OD1-CE1 3.2Å; N126-H243 VanDerWaalsContact OD1-CE1 3.31Å; N126-H243 PolarHBondContact OD1-ND1 2.96Å; H215-H243 AromaticContact CD2-ND1 3.74Å; H215-H243 PolarHBondContact CE1-N 3.44Å; H215-H243 PolarHBondContact ND1-N 3.32Å; H215-H243 WeakPolarHBondContact NE2-CA 3.42Å; H215-H243 AromaticContact NE2-CG 4Å; H215-H243 AromaticContact NE2-ND1 3.57Å; N217-H243 VanDerWaalsContact CG-NE2 3.26Å; N217-H243 PolarHBondContact N-CD2 3Å; N217-H243 PolarHBondContact ND2-NE2 3.05Å; N217-H243 VanDerWaalsContact ND2-NE2 3.17Å; N217-H243 PolarHBondContact OD1-CD2 2.9Å; N217-H243 VanDerWaalsContact OD1-CD2 3.32Å; N217-H243 PolarHBondContact OD1-NE2 2.86Å; H243-H245 PolarHBondContact O-CD2 3Å; H243-H245 PolarHBondContact O-N 3.15Å
244E96Very high95.2Very high23 Ų2333.6 Ų33.611%0.10716%0.156CC..  trans-79.3116.8177.5-65-68.9178.100110.6R218 V219 G242 E246 Q263R218-E244 WeakPolarHBondContact CA-OE1 3.35Å; R218-E244 HydrophobicContact CB-CG 3.67Å; R218-E244 PolarHBondContact N-OE1 3.47Å; V219-E244 PolarHBondContact N-OE1 2.84Å; G242-E244 PolarHBondContact O-N 2.85Å; E244-E246 VanDerWaalsContact C-N 3.35Å; E244-E246 PolarHBondContact O-N 2.7Å; E244-Q263 VanDerWaalsContact CB-CD 3.45Å; E244-Q263 HydrophobicContact CB-CG 3.94Å
245H96.9Very high95Very high31 Ų3133.7 Ų33.714%0.14416%0.164CC..  trans-80.5-13.6-174.2-71.1-170.1000114.6D18 H20 H243 S266 T270 E276D18-H245 IonicContact OD1-CD2 3.49Å; D18-H245 PolarHBondContact OD1-CD2 3.29Å; D18-H245 IonicContact OD1-NE2 3.85Å; D18-H245 PolarHBondContact OD1-NE2 3.14Å; H20-H245 AromaticContact CD2-CE1 3.78Å; H20-H245 AromaticContact CD2-NE2 3.7Å; H20-H245 AromaticContact NE2-CE1 3.37Å; H20-H245 PolarHBondContact NE2-CE1 3.37Å; H20-H245 AromaticContact NE2-NE2 3.1Å; H20-H245 PolarHBondContact NE2-NE2 3.14Å; H243-H245 PolarHBondContact O-CD2 3Å; H243-H245 PolarHBondContact O-N 3.15Å; H245-S266 WeakPolarHBondContact CB-OG 3.44Å; H245-S266 PolarHBondContact O-N 3.31Å; H245-T270 PolarHBondContact CE1-OG1 2.94Å; H245-T270 PolarHBondContact ND1-OG1 3.19Å; H245-E276 HydrophobicContact CB-CG 4.15Å; H245-E276 IonicContact CG-OE1 3.7Å; H245-E276 IonicContact ND1-OE1 3.14Å; H245-E276 PolarHBondContact ND1-OE1 3.11Å; H245-E276 IonicContact ND1-OE2 3.89Å
246E96.2Very high94.8Very high57 Ų5737.2 Ų37.227%0.26619%0.19SC..SBendtrans-66.9129174.3-175.4-171.4-168.700110.3E244 R248 Q263 Q278E244-E246 VanDerWaalsContact C-N 3.35Å; E244-E246 PolarHBondContact O-N 2.7Å; E246-R248 HydrophobicContact CG-CG 4.23Å; E246-R248 PolarHBondContact O-N 2.82Å; E246-Q263 PolarHBondContact O-NE2 2.91Å; E246-Q278 VanDerWaalsContact CG-OE1 3.3Å; E246-Q278 PolarHBondContact OE1-NE2 3.37Å
247C96.1Very high94.4Very high14 Ų1439.2 Ų39.210%0.09520%0.199CC..  trans-85.490.4-174.1175.10000111.9V249 P264 Q278 D279C247-V249 VanDerWaalsContact SG-CG2 3.52Å; C247-P264 PolarHBondContact SG-O 3.21Å; C247-P264 VanDerWaalsContact SG-O 3.37Å; C247-Q278 PolarHBondContact O-OE1 3.32Å; C247-D279 PolarHBondContact SG-O 2.84Å
248R95.2Very high94.2Very high83 Ų8342.4 Ų42.431%0.31322%0.216SC..EExtended strand (participates in β ladder)trans-113.564.3174.5-67.5167.164.61794.1110.4E246 E250 E252 Q263E246-R248 HydrophobicContact CG-CG 4.23Å; E246-R248 PolarHBondContact O-N 2.82Å; R248-E250 VanDerWaalsContact C-N 3.28Å; R248-E250 PolarHBondContact O-N 3.09Å; R248-E252 IonicContact CZ-OE1 3.25Å; R248-E252 IonicContact CZ-OE2 3.73Å; R248-E252 IonicContact NE-OE1 3.57Å; R248-E252 PolarHBondContact NE-OE1 2.85Å; R248-E252 IonicContact NE-OE2 3.51Å; R248-E252 IonicContact NH2-OE1 2.7Å; R248-E252 PolarHBondContact NH2-OE1 3.31Å; R248-E252 IonicContact NH2-OE2 3.09Å; R248-E252 PolarHBondContact NH2-OE2 2.83Å; R248-Q263 CarbonylContact C-O 3.54Å; R248-Q263 WeakPolarHBondContact CA-O 3.25Å; R248-Q263 HydrophobicContact CB-CB 4.16Å; R248-Q263 PolarHBondContact N-O 3.33Å; R248-Q263 CarbonylContact O-C 3.5Å; R248-Q263 PolarHBondContact O-N 2.66Å
249V92.9Very high94.1Very high4 Ų442.4 Ų42.42%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-68.4-25.2-175.1171.90000112.8C247 V262 Q263 P264 A281 A283 V294 R296C247-V249 VanDerWaalsContact SG-CG2 3.52Å; V249-V262 WeakPolarHBondContact O-CG1 3.29Å; V249-Q263 PolarHBondContact N-O 2.89Å; V249-P264 HydrophobicContact CG2-CB 4.44Å; V249-P264 WeakPolarHBondContact CG2-O 3.45Å; V249-A281 HydrophobicContact CG2-CB 4.18Å; V249-A283 HydrophobicContact CG1-CB 3.76Å; V249-V294 HydrophobicContact CG1-CG1 4.26Å; V249-R296 HydrophobicContact CB-CG 4.35Å; V249-R296 HydrophobicContact CG1-CB 4.02Å; V249-R296 HydrophobicContact CG1-CG 4.08Å
250E94Very high94.1Very high148 Ų14844 Ų4469%0.69222%0.222SC*.EExtended strand (participates in β ladder)trans-69133.7178.9-64.6-176.7174.400110.4R248 E252R248-E250 VanDerWaalsContact C-N 3.28Å; R248-E250 PolarHBondContact O-N 3.09Å; E250-E252 PolarHBondContact O-N 3.5Å
251P94.4Very high94Very high27 Ų2744 Ų4418%0.17522%0.222CC..EExtended strand (participates in β ladder)trans-68.1121-175.326.3-33.6000111.8Y260 V262 F292 V294 F766P251-Y260 HydrophobicContact CB-CD1 4.04Å; P251-Y260 HydrophobicContact CB-CG 4.44Å; P251-V262 HydrophobicContact CB-CG2 3.79Å; P251-F292 HydrophobicContact CB-CE2 4.27Å; P251-V294 HydrophobicContact CG-CB 4.49Å; P251-V294 HydrophobicContact CG-CG2 4.47Å; P251-F766 HydrophobicContact CG-CD2 4.22Å; P251-F766 HydrophobicContact CG-CE1 4.48Å; P251-F766 HydrophobicContact CG-CE2 3.52Å; P251-F766 HydrophobicContact CG-CZ 3.67Å
252E94.2Very high94Very high57 Ų5744 Ų4427%0.26622%0.222SC..EExtended strand (participates in β ladder)trans-98.1129.3-179.4-64.1178.1169.100111.2R218 R248 E250 Y260 V261R218-E252 IonicContact CZ-OE2 3.29Å; R218-E252 IonicContact NH1-OE2 3.27Å; R218-E252 PolarHBondContact NH1-OE2 2.95Å; R218-E252 IonicContact NH2-OE2 3.77Å; R218-E252 PolarHBondContact NH2-OE2 3.04Å; R248-E252 IonicContact CZ-OE1 3.25Å; R248-E252 IonicContact CZ-OE2 3.73Å; R248-E252 IonicContact NE-OE1 3.57Å; R248-E252 PolarHBondContact NE-OE1 2.85Å; R248-E252 IonicContact NE-OE2 3.51Å; R248-E252 IonicContact NH2-OE1 2.7Å; R248-E252 PolarHBondContact NH2-OE1 3.31Å; R248-E252 IonicContact NH2-OE2 3.09Å; R248-E252 PolarHBondContact NH2-OE2 2.83Å; E250-E252 PolarHBondContact O-N 3.5Å; E252-Y260 CarbonylContact O-C 3.51Å; E252-Y260 VanDerWaalsContact O-CA 3.29Å; E252-Y260 WeakPolarHBondContact O-CA 3.36Å; E252-V261 PolarHBondContact N-O 2.82Å; E252-V261 PolarHBondContact O-N 3.42Å
253W93.8Very high94Very high103 Ų10344.1 Ų44.139%0.3922%0.223SC..EExtended strand (participates in β ladder)trans-82.5120-178.9177.8-107.6000112.4N258 Y260W253-N258 HydrophobicContact CH2-CB 3.7Å; W253-N258 WeakPolarHBondContact CH2-O 3.49Å; W253-N258 HydrophobicContact CZ2-CB 3.88Å; W253-Y260 HydrophobicContact CB-CD1 4.23Å; W253-Y260 HydrophobicContact CB-CE1 3.98Å; W253-Y260 HydrophobicContact CD2-CE1 4.32Å; W253-Y260 AromaticContact CE3-CD1 3.91Å; W253-Y260 HydrophobicContact CE3-CD1 3.91Å; W253-Y260 AromaticContact CE3-CD2 3.78Å; W253-Y260 HydrophobicContact CE3-CD2 3.78Å; W253-Y260 AromaticContact CE3-CE1 3.6Å; W253-Y260 HydrophobicContact CE3-CE1 3.6Å; W253-Y260 AromaticContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CG 4Å; W253-Y260 AromaticContact CE3-CZ 3.35Å; W253-Y260 AromaticContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CE1 4.43Å; W253-Y260 AromaticContact CZ3-CE2 3.46Å; W253-Y260 HydrophobicContact CZ3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CZ3-CE2 3.46Å; W253-Y260 AromaticContact CZ3-CZ 3.77Å
254N91.5Very high94Very high14 Ų1442.7 Ų42.78%0.07522%0.216CC..EExtended strand (participates in β ladder)trans-88.4109.3168.9-175.3-41.9000110.6E229 S256 K257 N258 F259E229-N254 VanDerWaalsContact CB-ND2 3.34Å; E229-N254 WeakPolarHBondContact CB-ND2 3.16Å; E229-N254 PolarHBondContact OE2-ND2 2.96Å; N254-S256 VanDerWaalsContact C-N 3.3Å; N254-S256 PolarHBondContact O-N 3.33Å; N254-S256 WeakPolarHBondContact OD1-CA 3.37Å; N254-S256 VanDerWaalsContact OD1-CB 3.31Å; N254-S256 WeakPolarHBondContact OD1-CB 3.5Å; N254-S256 PolarHBondContact OD1-N 3.4Å; N254-K257 PolarHBondContact OD1-N 3.16Å; N254-K257 VanDerWaalsContact OD1-N 3.16Å; N254-N258 WeakPolarHBondContact O-CA 3.2Å; N254-N258 PolarHBondContact O-N 3.37Å; N254-F259 HydrophobicContact CB-CD2 3.77Å; N254-F259 HydrophobicContact CB-CE2 3.51Å; N254-F259 HydrophobicContact CB-CZ 4.31Å; N254-F259 PolarHBondContact N-O 3.04Å
255S89.1Confident94Very high92 Ų9241.7 Ų41.764%0.64321%0.212SC*.THydrogen-bonded Turntrans-70.3-21.5-179-63.10000114.6
256S87.6Confident94Very high85 Ų8540.3 Ų40.359%0.59421%0.206SC*.THydrogen-bonded Turntrans-78.5-35.4-177.7-55.40000112.2N230 N254N230-S256 VanDerWaalsContact OD1-CB 3.31Å; N230-S256 WeakPolarHBondContact OD1-CB 3.31Å; N254-S256 VanDerWaalsContact C-N 3.3Å; N254-S256 PolarHBondContact O-N 3.33Å; N254-S256 WeakPolarHBondContact OD1-CA 3.37Å; N254-S256 VanDerWaalsContact OD1-CB 3.31Å; N254-S256 WeakPolarHBondContact OD1-CB 3.5Å; N254-S256 PolarHBondContact OD1-N 3.4Å
257K87.4Confident94Very high41 Ų4137.7 Ų37.718%0.17819%0.194CC..THydrogen-bonded Turntrans-117.8-8-174-69.2-70.4-177.9139.60115.1N230 L232 D234 N254 F259N230-K257 WeakPolarHBondContact O-CE 3.49Å; N230-K257 PolarHBondContact O-NZ 3.34Å; L232-K257 WeakPolarHBondContact O-CD 3.4Å; L232-K257 WeakPolarHBondContact O-CE 3.21Å; L232-K257 PolarHBondContact O-NZ 3.4Å; D234-K257 HydrophobicContact CB-CD 4.2Å; N254-K257 PolarHBondContact OD1-N 3.16Å; N254-K257 VanDerWaalsContact OD1-N 3.16Å; K257-F259 HydrophobicContact CB-CD1 3.51Å; K257-F259 HydrophobicContact CB-CE1 3.12Å; K257-F259 HydrophobicContact CB-CE2 4.45Å; K257-F259 HydrophobicContact CB-CG 4.34Å; K257-F259 HydrophobicContact CB-CZ 3.66Å; K257-F259 HydrophobicContact CG-CE1 3.75Å; K257-F259 HydrophobicContact CG-CZ 4.11Å
258N91Very high94Very high78 Ų7837.5 Ų37.542%0.41719%0.193SC..THydrogen-bonded Turntrans63.938.1176.4-53-63.5000115W253 N254W253-N258 HydrophobicContact CH2-CB 3.7Å; W253-N258 WeakPolarHBondContact CH2-O 3.49Å; W253-N258 HydrophobicContact CZ2-CB 3.88Å; N254-N258 WeakPolarHBondContact O-CA 3.2Å; N254-N258 PolarHBondContact O-N 3.37Å
259F94.4Very high94Very high0 Ų033.9 Ų33.90%018%0.18CC..EExtended strand (participates in β ladder)trans-123165.5170.354.2-121.9000110.7E229 L232 L236 I239 N254 K257 V261E229-F259 HydrophobicContact CB-CE2 4.46Å; E229-F259 HydrophobicContact CB-CZ 4.23Å; E229-F259 WeakPolarHBondContact O-CZ 3.36Å; L232-F259 HydrophobicContact CB-CE1 4.09Å; L232-F259 HydrophobicContact CB-CZ 4.37Å; L236-F259 HydrophobicContact CB-CD1 4.47Å; L236-F259 WeakPolarHBondContact O-CB 3.44Å; I239-F259 HydrophobicContact CD1-CD1 3.88Å; I239-F259 HydrophobicContact CD1-CD2 3.4Å; I239-F259 HydrophobicContact CD1-CE1 3.7Å; I239-F259 HydrophobicContact CD1-CE2 3.25Å; I239-F259 HydrophobicContact CD1-CG 3.74Å; I239-F259 HydrophobicContact CD1-CZ 3.4Å; I239-F259 HydrophobicContact CG1-CD2 4.35Å; N254-F259 HydrophobicContact CB-CD2 3.77Å; N254-F259 HydrophobicContact CB-CE2 3.51Å; N254-F259 HydrophobicContact CB-CZ 4.31Å; N254-F259 PolarHBondContact N-O 3.04Å; K257-F259 HydrophobicContact CB-CD1 3.51Å; K257-F259 HydrophobicContact CB-CE1 3.12Å; K257-F259 HydrophobicContact CB-CE2 4.45Å; K257-F259 HydrophobicContact CB-CG 4.34Å; K257-F259 HydrophobicContact CB-CZ 3.66Å; K257-F259 HydrophobicContact CG-CE1 3.75Å; K257-F259 HydrophobicContact CG-CZ 4.11Å; F259-V261 HydrophobicContact CD2-CG2 3.92Å; F259-V261 HydrophobicContact CE2-CG2 3.7Å
260Y96.3Very high94.1Very high34 Ų3435.1 Ų35.113%0.13319%0.188CC..EExtended strand (participates in β ladder)trans-97.4147.1170-66.9-90.1000111.1D237 L238 I239 P251 E252 W253 F292 F766D237-Y260 PolarHBondContact O-N 3.41Å; L238-Y260 CarbonylContact C-O 3.59Å; L238-Y260 WeakPolarHBondContact CA-O 3.48Å; I239-Y260 PolarHBondContact N-O 3.41Å; P251-Y260 HydrophobicContact CB-CD1 4.04Å; P251-Y260 HydrophobicContact CB-CG 4.44Å; E252-Y260 CarbonylContact O-C 3.51Å; E252-Y260 VanDerWaalsContact O-CA 3.29Å; E252-Y260 WeakPolarHBondContact O-CA 3.36Å; W253-Y260 HydrophobicContact CB-CD1 4.23Å; W253-Y260 HydrophobicContact CB-CE1 3.98Å; W253-Y260 HydrophobicContact CD2-CE1 4.32Å; W253-Y260 AromaticContact CE3-CD1 3.91Å; W253-Y260 HydrophobicContact CE3-CD1 3.91Å; W253-Y260 AromaticContact CE3-CD2 3.78Å; W253-Y260 HydrophobicContact CE3-CD2 3.78Å; W253-Y260 AromaticContact CE3-CE1 3.6Å; W253-Y260 HydrophobicContact CE3-CE1 3.6Å; W253-Y260 AromaticContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CG 4Å; W253-Y260 AromaticContact CE3-CZ 3.35Å; W253-Y260 AromaticContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CE1 4.43Å; W253-Y260 AromaticContact CZ3-CE2 3.46Å; W253-Y260 HydrophobicContact CZ3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CZ3-CE2 3.46Å; W253-Y260 AromaticContact CZ3-CZ 3.77Å; Y260-F292 HydrophobicContact CD1-CZ 4.34Å; Y260-F292 AromaticContact CD2-CE1 3.59Å; Y260-F292 HydrophobicContact CD2-CE1 3.59Å; Y260-F292 AromaticContact CD2-CZ 3.46Å; Y260-F292 HydrophobicContact CD2-CZ 3.46Å; Y260-F292 VanDerWaalsContact CD2-CZ 3.46Å; Y260-F292 AromaticContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CZ 4Å; Y260-F292 HydrophobicContact CG-CE1 4.26Å; Y260-F292 AromaticContact CG-CZ 3.65Å; Y260-F292 HydrophobicContact CG-CZ 3.65Å; Y260-F766 AromaticContact CE1-CD1 3.68Å; Y260-F766 HydrophobicContact CE1-CD1 3.68Å; Y260-F766 AromaticContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CG 4.4Å; Y260-F766 HydrophobicContact CE2-CB 4.28Å; Y260-F766 HydrophobicContact CE2-CD1 4.43Å; Y260-F766 AromaticContact CZ-CD1 3.59Å; Y260-F766 WeakPolarHBondContact OH-CD1 3.26Å
261V96.5Very high94.1Very high1 Ų130.2 Ų30.21%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-115.9128.6172.9-176.80000108.6I239 W241 E252 F259I239-V261 HydrophobicContact CB-CG2 4.43Å; I239-V261 HydrophobicContact CD1-CG2 4.31Å; I239-V261 WeakPolarHBondContact O-CA 3.27Å; W241-V261 HydrophobicContact CB-CG1 4.19Å; W241-V261 HydrophobicContact CD2-CG1 4.47Å; W241-V261 HydrophobicContact CE3-CG1 3.8Å; E252-V261 PolarHBondContact N-O 2.82Å; E252-V261 PolarHBondContact O-N 3.42Å; F259-V261 HydrophobicContact CD2-CG2 3.92Å; F259-V261 HydrophobicContact CE2-CG2 3.7Å
262V97.1Very high94.1Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-119.3125.8173169.20000107.5L238 I239 I240 W241 V249 P251 P264 A283 V294L238-V262 HydrophobicContact CD1-CB 4.43Å; L238-V262 HydrophobicContact CD1-CG2 3.76Å; I239-V262 PolarHBondContact O-N 2.93Å; I240-V262 WeakPolarHBondContact CA-O 3.47Å; I240-V262 HydrophobicContact CD1-CB 3.96Å; I240-V262 HydrophobicContact CD1-CG1 4.22Å; W241-V262 PolarHBondContact N-O 3.5Å; V249-V262 WeakPolarHBondContact O-CG1 3.29Å; P251-V262 HydrophobicContact CB-CG2 3.79Å; V262-P264 HydrophobicContact CG1-CG 4.3Å; V262-A283 HydrophobicContact CG1-CB 4.47Å; V262-V294 HydrophobicContact CG2-CG2 4.23Å
263Q97.2Very high94Very high3 Ų330.2 Ų30.21%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-119.291.7-179.6179.4-174.6-50.900108.4R218 W241 E244 E246 R248 V249 G265R218-Q263 VanDerWaalsContact CD-OE1 3.26Å; W241-Q263 HydrophobicContact CB-CB 4.27Å; W241-Q263 HydrophobicContact CB-CG 4.49Å; E244-Q263 VanDerWaalsContact CB-CD 3.45Å; E244-Q263 HydrophobicContact CB-CG 3.94Å; E246-Q263 PolarHBondContact O-NE2 2.91Å; R248-Q263 CarbonylContact C-O 3.54Å; R248-Q263 WeakPolarHBondContact CA-O 3.25Å; R248-Q263 HydrophobicContact CB-CB 4.16Å; R248-Q263 PolarHBondContact N-O 3.33Å; R248-Q263 CarbonylContact O-C 3.5Å; R248-Q263 PolarHBondContact O-N 2.66Å; V249-Q263 PolarHBondContact N-O 2.89Å; Q263-G265 PolarHBondContact O-N 3.24Å
264P96Very high94Very high1 Ų131.1 Ų31.11%0.00619%0.185CC..  trans-62-28.4-170.7-21.131.4000114.1V15 T17 I240 W241 C247 V249 V262V15-P264 HydrophobicContact CG1-CG 3.98Å; T17-P264 HydrophobicContact CG2-CB 4.08Å; T17-P264 HydrophobicContact CG2-CG 4.29Å; I240-P264 HydrophobicContact CG2-CG 4.26Å; W241-P264 WeakPolarHBondContact O-CD 3.49Å; C247-P264 PolarHBondContact SG-O 3.21Å; C247-P264 VanDerWaalsContact SG-O 3.37Å; V249-P264 HydrophobicContact CG2-CB 4.44Å; V249-P264 WeakPolarHBondContact CG2-O 3.45Å; V262-P264 HydrophobicContact CG1-CG 4.3Å
265G95.9Very high94Very high2 Ų231.4 Ų31.42%0.02119%0.192CC..  trans79.8168.6-172.800000112.4T17 Q263T17-G265 VanDerWaalsContact CG2-O 3.25Å; T17-G265 WeakPolarHBondContact CG2-O 3.49Å; Q263-G265 PolarHBondContact O-N 3.24Å
266S97.3Very high94.3Very high3 Ų327.3 Ų27.32%0.02116%0.162CC..  trans-75.2159.2-178.864.80000112.3D18 H245 V268 E276 K280D18-S266 WeakPolarHBondContact O-CA 3.25Å; D18-S266 VanDerWaalsContact O-CB 3.28Å; D18-S266 WeakPolarHBondContact O-CB 3.43Å; H245-S266 WeakPolarHBondContact CB-OG 3.44Å; H245-S266 PolarHBondContact O-N 3.31Å; S266-V268 PolarHBondContact OG-O 3.22Å; S266-E276 PolarHBondContact OG-OE2 3.49Å; S266-E276 VanDerWaalsContact OG-OE2 3.13Å; S266-K280 WeakPolarHBondContact O-CD 3.3Å; S266-K280 WeakPolarHBondContact O-CG 3.28Å; S266-K280 PolarHBondContact O-NZ 3.15Å; S266-K280 PolarHBondContact OG-NZ 3.02Å
267S96.3Very high94.6Very high1 Ų124.5 Ų24.51%0.00714%0.144CC..SBendtrans-87.8-13.5177.178.70000113.9D18 N19 T37 V302D18-S267 PolarHBondContact O-N 3.33Å; N19-S267 VanDerWaalsContact CA-OG 3.3Å; N19-S267 WeakPolarHBondContact CA-OG 3.41Å; N19-S267 PolarHBondContact ND2-OG 2.74Å; N19-S267 PolarHBondContact O-OG 3.24Å; T37-S267 WeakPolarHBondContact CG2-O 3.39Å; S267-V302 WeakPolarHBondContact O-CG2 3.36Å
268V95.9Very high94.8Very high11 Ų1126 Ų267%0.06715%0.152CC..SBendtrans-138.7147.317864.70000110.3H20 Y23 D33 S266 T270 K280H20-V268 HydrophobicContact CB-CG1 3.82Å; Y23-V268 HydrophobicContact CD1-CG1 4.48Å; Y23-V268 HydrophobicContact CD1-CG2 4.15Å; D33-V268 HydrophobicContact CB-CG2 4.46Å; S266-V268 PolarHBondContact OG-O 3.22Å; V268-T270 HydrophobicContact CG1-CG2 4.2Å; V268-T270 PolarHBondContact O-N 3.44Å; V268-K280 VanDerWaalsContact C-CE 3.48Å; V268-K280 PolarHBondContact O-NZ 2.92Å
269A95.8Very high94.9Very high7 Ų727.7 Ų27.76%0.05816%0.161CC..  trans-76.5102.3177.100000110.6Y23 E276 F305 L391Y23-A269 VanDerWaalsContact CE1-O 3.24Å; Y23-A269 WeakPolarHBondContact CE1-O 3.44Å; A269-E276 WeakPolarHBondContact CA-OE2 3.44Å; A269-E276 HydrophobicContact CB-CB 4.48Å; A269-F305 HydrophobicContact CB-CD1 4.18Å; A269-L391 HydrophobicContact CB-CD1 4.31Å
270T94.8Very high95Very high29 Ų2928.1 Ų28.118%0.17816%0.163CC..  trans-84.4-28.4179.769.30000112.2H20 Y23 H245 V268 E276H20-T270 HydrophobicContact CB-CG2 3.96Å; Y23-T270 HydrophobicContact CD2-CG2 4.34Å; Y23-T270 WeakPolarHBondContact CE2-O 3.42Å; Y23-T270 HydrophobicContact CG-CG2 4.46Å; Y23-T270 PolarHBondContact OH-O 3.42Å; H245-T270 PolarHBondContact CE1-OG1 2.94Å; H245-T270 PolarHBondContact ND1-OG1 3.19Å; V268-T270 HydrophobicContact CG1-CG2 4.2Å; V268-T270 PolarHBondContact O-N 3.44Å; T270-E276 WeakPolarHBondContact CA-OE1 3.26Å; T270-E276 PolarHBondContact N-OE1 3.48Å; T270-E276 PolarHBondContact OG1-OE1 3.45Å
271A94.1Very high95Very high46 Ų4626.7 Ų26.738%0.3816%0.158SC..SBendtrans-126.6151.4175.300000111.5S273 E276A271-S273 VanDerWaalsContact C-N 3.26Å; A271-S273 PolarHBondContact O-N 3.27Å; A271-S273 VanDerWaalsContact O-N 3.17Å; A271-E276 HydrophobicContact CB-CG 4.41Å; A271-E276 PolarHBondContact N-OE1 3.28Å; A271-E276 VanDerWaalsContact O-CB 3.27Å; A271-E276 WeakPolarHBondContact O-CB 3.4Å; A271-E276 WeakPolarHBondContact O-CG 3.13Å
272L93.7Very high95Very high33 Ų3326.7 Ų26.717%0.17316%0.158CC..  trans-89.961.6175.2-60.2176.4000110.4F305 L391 R393 N420 D423L272-F305 VanDerWaalsContact CA-CZ 3.47Å; L272-F305 HydrophobicContact CB-CE2 4.38Å; L272-F305 HydrophobicContact CB-CZ 3.9Å; L272-F305 HydrophobicContact CD2-CD2 4.18Å; L272-F305 HydrophobicContact CD2-CE1 4.35Å; L272-F305 HydrophobicContact CD2-CE2 3.7Å; L272-F305 HydrophobicContact CD2-CZ 3.81Å; L272-F305 HydrophobicContact CG-CZ 4.48Å; L272-L391 HydrophobicContact CD2-CB 4.41Å; L272-L391 HydrophobicContact CD2-CD1 4.49Å; L272-R393 HydrophobicContact CB-CB 4.23Å; L272-R393 HydrophobicContact CB-CG 4.06Å; L272-N420 WeakPolarHBondContact CD1-ND2 3.26Å; L272-D423 HydrophobicContact CD1-CB 3.81Å
273S93.3Very high95Very high50 Ų5026.8 Ų26.835%0.3516%0.158SC..SBendtrans-107.3167.8179.271.20000111.9A271 E276 A277 F305A271-S273 VanDerWaalsContact C-N 3.26Å; A271-S273 PolarHBondContact O-N 3.27Å; A271-S273 VanDerWaalsContact O-N 3.17Å; S273-E276 VanDerWaalsContact OG-CG 3.31Å; S273-E276 WeakPolarHBondContact OG-CG 3.36Å; S273-E276 PolarHBondContact OG-N 3.48Å; S273-A277 PolarHBondContact O-N 3.01Å; S273-F305 WeakPolarHBondContact O-CE1 3.48Å
274E93Very high95Very high122 Ų12227 Ų2757%0.5716%0.16SC*.THydrogen-bonded Turntrans-64.4-41.7177.3-175.6176-176.200112.4E276 A277 F307E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 3.39Å; E274-A277 WeakPolarHBondContact O-CB 3.25Å; E274-A277 PolarHBondContact O-N 3.2Å; E274-A277 VanDerWaalsContact O-N 3.16Å; E274-F307 HydrophobicContact CB-CD1 4.08Å; E274-F307 HydrophobicContact CB-CE1 4.13Å; E274-F307 HydrophobicContact CG-CD1 4.39Å
275G92.1Very high95.1Very high20 Ų2027.1 Ų27.121%0.20616%0.161CC..G310 helixtrans-65.1-34.6178.900000113.4A277 Q278G275-A277 VanDerWaalsContact C-N 3.26Å; G275-A277 PolarHBondContact O-N 2.98Å; G275-Q278 PolarHBondContact O-N 3.25Å
276E94.7Very high95.1Very high6 Ų627.4 Ų27.43%0.02816%0.161CC..G310 helixtrans-73.5-16.8176.9-71.9-102.6-134.200113H245 S266 A269 T270 A271 S273 E274 Q278 K280 F305H245-E276 HydrophobicContact CB-CG 4.15Å; H245-E276 IonicContact CG-OE1 3.7Å; H245-E276 IonicContact ND1-OE1 3.14Å; H245-E276 PolarHBondContact ND1-OE1 3.11Å; H245-E276 IonicContact ND1-OE2 3.89Å; S266-E276 PolarHBondContact OG-OE2 3.49Å; S266-E276 VanDerWaalsContact OG-OE2 3.13Å; A269-E276 WeakPolarHBondContact CA-OE2 3.44Å; A269-E276 HydrophobicContact CB-CB 4.48Å; T270-E276 WeakPolarHBondContact CA-OE1 3.26Å; T270-E276 PolarHBondContact N-OE1 3.48Å; T270-E276 PolarHBondContact OG1-OE1 3.45Å; A271-E276 HydrophobicContact CB-CG 4.41Å; A271-E276 PolarHBondContact N-OE1 3.28Å; A271-E276 VanDerWaalsContact O-CB 3.27Å; A271-E276 WeakPolarHBondContact O-CB 3.4Å; A271-E276 WeakPolarHBondContact O-CG 3.13Å; S273-E276 VanDerWaalsContact OG-CG 3.31Å; S273-E276 WeakPolarHBondContact OG-CG 3.36Å; S273-E276 PolarHBondContact OG-N 3.48Å; E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 3.39Å; E276-Q278 VanDerWaalsContact C-N 3.3Å; E276-K280 IonicContact OE2-NZ 2.79Å; E276-K280 PolarHBondContact OE2-NZ 3.26Å; E276-F305 HydrophobicContact CB-CD1 4.27Å; E276-F305 HydrophobicContact CB-CE1 3.99Å
277A93.3Very high95Very high26 Ų2627.4 Ų27.422%0.21516%0.161CC..G310 helixtrans-80.9-8.7178.900000113.5S273 E274 G275 F305 F307S273-A277 PolarHBondContact O-N 3.01Å; E274-A277 WeakPolarHBondContact O-CB 3.25Å; E274-A277 PolarHBondContact O-N 3.2Å; E274-A277 VanDerWaalsContact O-N 3.16Å; G275-A277 VanDerWaalsContact C-N 3.26Å; G275-A277 PolarHBondContact O-N 2.98Å; A277-F305 VanDerWaalsContact CA-CD1 3.46Å; A277-F305 HydrophobicContact CB-CD1 3.76Å; A277-F305 HydrophobicContact CB-CE1 3.8Å; A277-F305 HydrophobicContact CB-CG 4.27Å; A277-F305 HydrophobicContact CB-CZ 4.34Å; A277-F307 HydrophobicContact CB-CB 3.64Å
278Q92.6Very high94.9Very high73 Ų7332.3 Ų32.334%0.34118%0.179SC..SBendtrans-69.5149173.8-65-178.69.500111.5E246 C247 G275 E276 K280E246-Q278 VanDerWaalsContact CG-OE1 3.3Å; E246-Q278 PolarHBondContact OE1-NE2 3.37Å; C247-Q278 PolarHBondContact O-OE1 3.32Å; G275-Q278 PolarHBondContact O-N 3.25Å; E276-Q278 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.17Å; Q278-K280 VanDerWaalsContact O-N 3.11Å
279D93.3Very high94.7Very high114 Ų11436.5 Ų36.561%0.6120%0.198SC*.  trans-64.3112.1-180-71.1-25.2000111.5C247 R296C247-D279 PolarHBondContact SG-O 2.84Å; D279-R296 PolarHBondContact O-NH2 3.48Å
280K96.1Very high94.5Very high9 Ų939.4 Ų39.44%0.03921%0.209CC..  trans-69.5138.6-177.3-60.8177.2-179.5-710111.5S266 V268 E276 Q278 L299 V302S266-K280 WeakPolarHBondContact O-CD 3.3Å; S266-K280 WeakPolarHBondContact O-CG 3.28Å; S266-K280 PolarHBondContact O-NZ 3.15Å; S266-K280 PolarHBondContact OG-NZ 3.02Å; V268-K280 VanDerWaalsContact C-CE 3.48Å; V268-K280 PolarHBondContact O-NZ 2.92Å; E276-K280 IonicContact OE2-NZ 2.79Å; E276-K280 PolarHBondContact OE2-NZ 3.26Å; Q278-K280 PolarHBondContact O-N 3.17Å; Q278-K280 VanDerWaalsContact O-N 3.11Å; K280-L299 HydrophobicContact CB-CD1 4.34Å; K280-L299 PolarHBondContact O-N 3.13Å; K280-L299 VanDerWaalsContact O-N 3.11Å; K280-V302 HydrophobicContact CB-CG1 4.38Å; K280-V302 HydrophobicContact CB-CG2 4.16Å; K280-V302 HydrophobicContact CD-CG1 3.76Å; K280-V302 HydrophobicContact CD-CG2 4.33Å; K280-V302 HydrophobicContact CG-CG1 4.31Å
281A96.1Very high94.4Very high3 Ų340.5 Ų40.53%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-148156.8-179.400000110.8V249 R296 L297V249-A281 HydrophobicContact CG2-CB 4.18Å; A281-R296 HydrophobicContact CB-CG 3.56Å; A281-L297 CarbonylContact C-O 3.59Å; A281-L297 VanDerWaalsContact CA-O 3.27Å; A281-L297 WeakPolarHBondContact CA-O 3.45Å; A281-L297 WeakPolarHBondContact CB-O 3.41Å
282V97Very high94.4Very high2 Ų238.6 Ų38.61%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-102.5157.3167.6-65.40000110.2L14 I41 L44 L297 L299L14-V282 HydrophobicContact CD1-CB 4.46Å; L14-V282 HydrophobicContact CD1-CG2 3.89Å; I41-V282 HydrophobicContact CD1-CG1 4.16Å; I41-V282 HydrophobicContact CG1-CG1 3.88Å; I41-V282 HydrophobicContact CG2-CG1 4.41Å; L44-V282 HydrophobicContact CD1-CG2 3.87Å; V282-L297 HydrophobicContact CG2-CB 3.81Å; V282-L297 HydrophobicContact CG2-CD1 4.4Å; V282-L297 PolarHBondContact N-O 2.78Å; V282-L297 PolarHBondContact O-N 3.09Å; V282-L299 HydrophobicContact CG1-CD1 4.25Å; V282-L299 HydrophobicContact CG1-CD2 4.16Å; V282-L299 HydrophobicContact CG1-CG 4.42Å; V282-L299 HydrophobicContact CG2-CD2 4.43Å
283A97.1Very high94.5Very high1 Ų139.2 Ų39.21%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-103.6123.9-178.200000110V15 V249 V262 V294V15-A283 HydrophobicContact CB-CB 4.21Å; V15-A283 PolarHBondContact N-O 3.21Å; V15-A283 PolarHBondContact O-N 3.19Å; V249-A283 HydrophobicContact CG1-CB 3.76Å; V262-A283 HydrophobicContact CG1-CB 4.47Å; A283-V294 HydrophobicContact CB-CG1 3.96Å
284L97.3Very high94.6Very high8 Ų838 Ų384%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-91.7106166.7176.166.6000108.3H48 V50 E286 T295 L297H48-L284 HydrophobicContact CB-CD2 4.42Å; V50-L284 HydrophobicContact CG1-CD1 3.72Å; L284-E286 HydrophobicContact CG-CG 4.49Å; L284-T295 PolarHBondContact N-O 3.3Å; L284-T295 PolarHBondContact O-N 3.43Å; L284-L297 HydrophobicContact CB-CD1 3.86Å; L284-L297 HydrophobicContact CB-CG 4.14Å
285L97.1Very high94.7Very high4 Ų434.5 Ų34.52%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-95.2117.3-179.5173.664.1000109.5R12 V13 V15 L238 I287 F292 K293 V294R12-L285 CarbonylContact C-O 3.6Å; R12-L285 WeakPolarHBondContact CA-O 3.4Å; V13-L285 HydrophobicContact CB-CB 4.25Å; V13-L285 PolarHBondContact N-O 2.96Å; V13-L285 PolarHBondContact O-N 3.26Å; V15-L285 HydrophobicContact CG2-CB 4.11Å; V15-L285 HydrophobicContact CG2-CD2 4.35Å; L238-L285 HydrophobicContact CD2-CD1 3.7Å; L238-L285 HydrophobicContact CD2-CD2 3.67Å; L238-L285 HydrophobicContact CD2-CG 4.36Å; L285-I287 HydrophobicContact CD1-CG1 4.07Å; L285-I287 HydrophobicContact CD2-CD1 3.9Å; L285-I287 HydrophobicContact CD2-CG1 4.18Å; L285-I287 HydrophobicContact CG-CD1 4.11Å; L285-I287 HydrophobicContact CG-CG1 3.83Å; L285-F292 HydrophobicContact CD1-CB 4.11Å; L285-F292 HydrophobicContact CD1-CD2 3.91Å; L285-F292 HydrophobicContact CD1-CG 4.41Å; L285-K293 WeakPolarHBondContact CA-O 3.22Å; L285-V294 HydrophobicContact CD1-CG2 3.93Å
286E96.4Very high94.9Very high8 Ų838.9 Ų38.94%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-107.7119.9173.1-56.5-171.3123.500108.8V10 L11 R12 L284 F292 K293 F764V10-E286 HydrophobicContact CG1-CB 3.89Å; L11-E286 CarbonylContact O-C 3.59Å; L11-E286 WeakPolarHBondContact O-CA 3.35Å; R12-E286 HydrophobicContact CG-CG 4.23Å; R12-E286 IonicContact CZ-OE1 3.58Å; R12-E286 IonicContact NE-OE1 2.62Å; R12-E286 PolarHBondContact NE-OE1 3.44Å; R12-E286 IonicContact NH2-OE1 2.77Å; R12-E286 PolarHBondContact NH2-OE1 3.28Å; L284-E286 HydrophobicContact CG-CG 4.49Å; E286-F292 CarbonylContact O-C 3.57Å; E286-F292 WeakPolarHBondContact O-CA 3.4Å; E286-K293 HydrophobicContact CB-CB 4.38Å; E286-K293 PolarHBondContact N-O 2.98Å; E286-K293 PolarHBondContact O-N 3.05Å; E286-F764 HydrophobicContact CB-CE1 4.37Å
287I95.9Very high94.9Very high2 Ų239.5 Ų39.51%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-113.2129.7-178.6-52.2168.7000108.8V10 L11 T172 V174 F209 V211 L285 F292V10-I287 WeakPolarHBondContact CA-O 3.49Å; L11-I287 HydrophobicContact CB-CB 4.4Å; L11-I287 PolarHBondContact N-O 3Å; L11-I287 PolarHBondContact O-N 2.82Å; T172-I287 HydrophobicContact CG2-CG2 4.03Å; V174-I287 HydrophobicContact CG1-CD1 4.32Å; V174-I287 HydrophobicContact CG2-CB 4.47Å; V174-I287 HydrophobicContact CG2-CD1 3.97Å; V174-I287 HydrophobicContact CG2-CG2 4Å; F209-I287 HydrophobicContact CB-CG2 4.18Å; F209-I287 HydrophobicContact CD1-CD1 3.87Å; F209-I287 HydrophobicContact CD1-CG1 4.29Å; F209-I287 HydrophobicContact CD1-CG2 3.67Å; F209-I287 HydrophobicContact CD2-CG2 4.49Å; F209-I287 HydrophobicContact CE1-CD1 3.89Å; F209-I287 HydrophobicContact CE1-CG1 4.1Å; F209-I287 HydrophobicContact CE1-CG2 4.13Å; F209-I287 HydrophobicContact CG-CG2 3.87Å; V211-I287 HydrophobicContact CG2-CD1 4.23Å; L285-I287 HydrophobicContact CD1-CG1 4.07Å; L285-I287 HydrophobicContact CD2-CD1 3.9Å; L285-I287 HydrophobicContact CD2-CG1 4.18Å; L285-I287 HydrophobicContact CG-CD1 4.11Å; L285-I287 HydrophobicContact CG-CG1 3.83Å; I287-F292 HydrophobicContact CG1-CB 4.43Å
288R93.9Very high95Very high105 Ų10542 Ų4240%0.39620%0.202SC..EExtended strand (participates in β ladder)trans-132.6111.8172.9-178.2-175.7174.91801.8109.1V10 K290 E291 F764V10-R288 HydrophobicContact CG2-CB 4.35Å; R288-K290 PolarHBondContact O-N 2.87Å; R288-E291 PolarHBondContact N-O 2.84Å; R288-E291 PolarHBondContact O-N 3.05Å; R288-E291 VanDerWaalsContact O-O 3.1Å; R288-F764 HydrophobicContact CB-CE1 3.78Å; R288-F764 HydrophobicContact CB-CE2 3.93Å; R288-F764 HydrophobicContact CB-CZ 3.46Å; R288-F764 VanDerWaalsContact CB-CZ 3.46Å; R288-F764 HydrophobicContact CG-CE2 4.38Å; R288-F764 HydrophobicContact CG-CZ 4.32Å
289E91.4Very high95.1Very high98 Ų9839.4 Ų39.446%0.45819%0.19SC..THydrogen-bonded Turntrans51-104.6-174.3-60173.1-166.600111T172 F209T172-E289 PolarHBondContact OG1-N 3.05Å; F209-E289 WeakPolarHBondContact CB-O 3.41Å
290K90.3Very high94.9Very high68 Ų6840.1 Ų40.130%0.29619%0.185SC..THydrogen-bonded Turntrans-108.2-0.6177.2-69.1-169.3178.5-174.20114.9D206 R288D206-K290 WeakPolarHBondContact O-CE 3.39Å; D206-K290 PolarHBondContact O-NZ 3.06Å; R288-K290 PolarHBondContact O-N 2.87Å
291E93.1Very high94.8Very high53 Ų5339.8 Ų39.825%0.24818%0.183CC..EExtended strand (participates in β ladder)trans-99.7144.9179.4-63.7178.7174.100108.4R288 F764 F766 R767R288-E291 PolarHBondContact N-O 2.84Å; R288-E291 PolarHBondContact O-N 3.05Å; R288-E291 VanDerWaalsContact O-O 3.1Å; E291-F764 HydrophobicContact CB-CB 4.02Å; E291-F764 HydrophobicContact CB-CD1 4.34Å; E291-F764 HydrophobicContact CB-CG 4.25Å; E291-F766 WeakPolarHBondContact CA-O 3.31Å; E291-R767 HydrophobicContact CG-CB 4.15Å; E291-R767 HydrophobicContact CG-CG 4.12Å; E291-R767 WeakPolarHBondContact OE1-CD 3.14Å; E291-R767 IonicContact OE1-CZ 2.75Å; E291-R767 IonicContact OE1-NE 3.17Å; E291-R767 IonicContact OE1-NH1 2.79Å
292F95.2Very high94.7Very high5 Ų540.8 Ų40.82%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-140.8156.2178.874.5-82.5000110.9F209 L238 P251 Y260 L285 E286 I287 V294 F766F209-F292 HydrophobicContact CE1-CB 4.42Å; F209-F292 HydrophobicContact CE2-CB 4.23Å; F209-F292 AromaticContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CE1 4.46Å; F209-F292 HydrophobicContact CE2-CG 4.25Å; F209-F292 HydrophobicContact CZ-CB 3.77Å; F209-F292 AromaticContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CE1 4.31Å; F209-F292 AromaticContact CZ-CG 3.74Å; F209-F292 HydrophobicContact CZ-CG 3.74Å; L238-F292 HydrophobicContact CD1-CE2 4.1Å; L238-F292 HydrophobicContact CD1-CZ 4.3Å; L238-F292 HydrophobicContact CD2-CD2 4.4Å; P251-F292 HydrophobicContact CB-CE2 4.27Å; Y260-F292 HydrophobicContact CD1-CZ 4.34Å; Y260-F292 AromaticContact CD2-CE1 3.59Å; Y260-F292 HydrophobicContact CD2-CE1 3.59Å; Y260-F292 AromaticContact CD2-CZ 3.46Å; Y260-F292 HydrophobicContact CD2-CZ 3.46Å; Y260-F292 VanDerWaalsContact CD2-CZ 3.46Å; Y260-F292 AromaticContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CZ 4Å; Y260-F292 HydrophobicContact CG-CE1 4.26Å; Y260-F292 AromaticContact CG-CZ 3.65Å; Y260-F292 HydrophobicContact CG-CZ 3.65Å; L285-F292 HydrophobicContact CD1-CB 4.11Å; L285-F292 HydrophobicContact CD1-CD2 3.91Å; L285-F292 HydrophobicContact CD1-CG 4.41Å; E286-F292 CarbonylContact O-C 3.57Å; E286-F292 WeakPolarHBondContact O-CA 3.4Å; I287-F292 HydrophobicContact CG1-CB 4.43Å; F292-V294 HydrophobicContact CD2-CG2 3.85Å; F292-V294 HydrophobicContact CE2-CG2 3.85Å; F292-F766 HydrophobicContact CD1-CB 4.08Å; F292-F766 HydrophobicContact CE1-CB 3.59Å; F292-F766 HydrophobicContact CE1-CG 4.37Å; F292-F766 HydrophobicContact CE2-CB 4.37Å; F292-F766 HydrophobicContact CE2-CD2 4.1Å; F292-F766 HydrophobicContact CE2-CG 4.44Å; F292-F766 HydrophobicContact CZ-CB 3.74Å; F292-F766 HydrophobicContact CZ-CD2 4.14Å; F292-F766 HydrophobicContact CZ-CG 4.02Å; F292-F766 PolarHBondContact N-O 3.34Å
293K94.7Very high94.5Very high47 Ų4741.4 Ų41.420%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-133.3133176.6-178.9177.2-171.91580109.1L285 E286 D763 F764L285-K293 WeakPolarHBondContact CA-O 3.22Å; E286-K293 HydrophobicContact CB-CB 4.38Å; E286-K293 PolarHBondContact N-O 2.98Å; E286-K293 PolarHBondContact O-N 3.05Å; K293-D763 PolarHBondContact NZ-O 3.09Å; K293-F764 HydrophobicContact CB-CD1 4.01Å; K293-F764 HydrophobicContact CB-CE1 4.34Å
294V95.8Very high94.3Very high25 Ų2542.2 Ų42.215%0.15220%0.196CC..EExtended strand (participates in β ladder)trans-113.1115.6176-178.60000108.3V249 P251 V262 A283 L285 F292V249-V294 HydrophobicContact CG1-CG1 4.26Å; P251-V294 HydrophobicContact CG-CB 4.49Å; P251-V294 HydrophobicContact CG-CG2 4.47Å; V262-V294 HydrophobicContact CG2-CG2 4.23Å; A283-V294 HydrophobicContact CB-CG1 3.96Å; L285-V294 HydrophobicContact CD1-CG2 3.93Å; F292-V294 HydrophobicContact CD2-CG2 3.85Å; F292-V294 HydrophobicContact CE2-CG2 3.85Å
295T95.8Very high94.2Very high48 Ų4842.7 Ų42.729%0.29420%0.198SC..EExtended strand (participates in β ladder)trans-103.8122.6174.6-55.30000109.2L284 L297L284-T295 PolarHBondContact N-O 3.3Å; L284-T295 PolarHBondContact O-N 3.43Å; T295-L297 HydrophobicContact CG2-CD2 4.31Å; T295-L297 PolarHBondContact O-N 2.86Å
296R96Very high94Very high112 Ų11244.6 Ų44.642%0.42321%0.208SC..EExtended strand (participates in β ladder)trans-73.5122.9175.2-176.6179.2178.4-128.1-0.8110.4V249 D279 A281V249-R296 HydrophobicContact CB-CG 4.35Å; V249-R296 HydrophobicContact CG1-CB 4.02Å; V249-R296 HydrophobicContact CG1-CG 4.08Å; D279-R296 PolarHBondContact O-NH2 3.48Å; A281-R296 HydrophobicContact CB-CG 3.56Å
297L94.8Very high93.8Very high18 Ų1846 Ų469%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-111.1104.1174.5-60.5-177.5000109.6L14 A281 V282 L284 T295L14-L297 HydrophobicContact CD1-CD1 3.98Å; A281-L297 CarbonylContact C-O 3.59Å; A281-L297 VanDerWaalsContact CA-O 3.27Å; A281-L297 WeakPolarHBondContact CA-O 3.45Å; A281-L297 WeakPolarHBondContact CB-O 3.41Å; V282-L297 HydrophobicContact CG2-CB 3.81Å; V282-L297 HydrophobicContact CG2-CD1 4.4Å; V282-L297 PolarHBondContact N-O 2.78Å; V282-L297 PolarHBondContact O-N 3.09Å; L284-L297 HydrophobicContact CB-CD1 3.86Å; L284-L297 HydrophobicContact CB-CG 4.14Å; T295-L297 HydrophobicContact CG2-CD2 4.31Å; T295-L297 PolarHBondContact O-N 2.86Å
298P94.5Very high93.7Very high80 Ų8049.3 Ų49.352%0.51923%0.229SC..EExtended strand (participates in β ladder)trans-68.2140.9-178.528.5-34.3000111.7
299L94.5Very high93.5Very high17 Ų1748 Ų489%0.08923%0.23CC..  trans-89128.7176.8-64.1169.7000110.5T37 E40 I41 L44 K280 V282 V302T37-L299 HydrophobicContact CG2-CB 4.49Å; T37-L299 HydrophobicContact CG2-CD1 3.79Å; T37-L299 HydrophobicContact CG2-CD2 4.41Å; T37-L299 HydrophobicContact CG2-CG 4.47Å; E40-L299 HydrophobicContact CG-CD2 4.18Å; I41-L299 HydrophobicContact CG1-CD2 3.75Å; L44-L299 HydrophobicContact CD1-CD2 4.01Å; K280-L299 HydrophobicContact CB-CD1 4.34Å; K280-L299 PolarHBondContact O-N 3.13Å; K280-L299 VanDerWaalsContact O-N 3.11Å; V282-L299 HydrophobicContact CG1-CD1 4.25Å; V282-L299 HydrophobicContact CG1-CD2 4.16Å; V282-L299 HydrophobicContact CG1-CG 4.42Å; V282-L299 HydrophobicContact CG2-CD2 4.43Å; L299-V302 HydrophobicContact CB-CG2 3.54Å; L299-V302 HydrophobicContact CD1-CG2 4.05Å; L299-V302 HydrophobicContact CG-CG2 4.46Å
300R90.8Very high93.4Very high130 Ų13043.4 Ų43.449%0.49121%0.208SC..SBendtrans-92.9-27.8-175.6-58.9-179.5179.1-177.80.1113.5E40 V302 E356 L384 P386E40-R300 VanDerWaalsContact CD-N 3.32Å; E40-R300 WeakPolarHBondContact OE1-CB 3.42Å; E40-R300 PolarHBondContact OE1-N 3.11Å; E40-R300 PolarHBondContact OE2-N 3.39Å; E40-R300 VanDerWaalsContact OE2-N 3.14Å; R300-V302 VanDerWaalsContact C-N 3.27Å; R300-V302 PolarHBondContact O-N 2.82Å; R300-E356 IonicContact NH1-OE1 2.8Å; R300-E356 PolarHBondContact NH1-OE1 2.64Å; R300-E356 VanDerWaalsContact NH1-OE1 3.11Å; R300-L384 WeakPolarHBondContact CB-O 3.27Å; R300-P386 WeakPolarHBondContact O-CA 3.46Å; R300-P386 WeakPolarHBondContact O-CB 3.46Å; R300-P386 WeakPolarHBondContact O-CD 3.38Å
301T92.7Very high93.2Very high1 Ų143.5 Ų43.51%0.00621%0.211CC..SBendtrans-81.8-8.5-177.461.70000113.3T37 E40 R303 L384 P387T37-T301 WeakPolarHBondContact CA-OG1 3.2Å; T37-T301 WeakPolarHBondContact CB-OG1 3.14Å; T37-T301 PolarHBondContact OG1-OG1 2.87Å; E40-T301 HydrophobicContact CB-CG2 4.04Å; E40-T301 HydrophobicContact CG-CG2 4.4Å; E40-T301 VanDerWaalsContact OE2-CB 3.27Å; E40-T301 WeakPolarHBondContact OE2-CB 3.47Å; E40-T301 VanDerWaalsContact OE2-CG2 3.32Å; E40-T301 WeakPolarHBondContact OE2-CG2 3.26Å; E40-T301 PolarHBondContact OE2-N 3.19Å; E40-T301 PolarHBondContact OE2-OG1 2.8Å; T301-R303 PolarHBondContact O-N 2.81Å; T301-L384 HydrophobicContact CG2-CB 4.11Å; T301-L384 HydrophobicContact CG2-CD2 3.64Å; T301-P387 VanDerWaalsContact O-CD 3.28Å; T301-P387 WeakPolarHBondContact O-CD 3.39Å
302V94.2Very high92.6Very high25 Ų2541 Ų4115%0.15220%0.199CC..SBendtrans-64.2131.4178.7173.50000109.9T37 S267 K280 L299 R300 P304T37-V302 HydrophobicContact CG2-CG2 3.8Å; S267-V302 WeakPolarHBondContact O-CG2 3.36Å; K280-V302 HydrophobicContact CB-CG1 4.38Å; K280-V302 HydrophobicContact CB-CG2 4.16Å; K280-V302 HydrophobicContact CD-CG1 3.76Å; K280-V302 HydrophobicContact CD-CG2 4.33Å; K280-V302 HydrophobicContact CG-CG1 4.31Å; L299-V302 HydrophobicContact CB-CG2 3.54Å; L299-V302 HydrophobicContact CD1-CG2 4.05Å; L299-V302 HydrophobicContact CG-CG2 4.46Å; R300-V302 VanDerWaalsContact C-N 3.27Å; R300-V302 PolarHBondContact O-N 2.82Å; V302-P304 WeakPolarHBondContact O-CD 3.28Å
303R93.6Very high91.7Very high14 Ų1444.7 Ų44.75%0.05322%0.217CC..PPolyproline II helixtrans-64.7125.5175.9-172.5172.7-61.9-92.40.1110L29 D33 T301 F305 P387 E389 L391L29-R303 PolarHBondContact O-NH2 3.35Å; D33-R303 IonicContact OD1-CZ 2.69Å; D33-R303 IonicContact OD1-NE 2.76Å; D33-R303 IonicContact OD1-NH2 2.76Å; D33-R303 PolarHBondContact OD1-NH2 3.07Å; D33-R303 IonicContact OD2-CZ 2.83Å; D33-R303 IonicContact OD2-NE 3.51Å; D33-R303 PolarHBondContact OD2-NE 3.27Å; D33-R303 IonicContact OD2-NH2 3.1Å; D33-R303 PolarHBondContact OD2-NH2 3.31Å; T301-R303 PolarHBondContact O-N 2.81Å; R303-F305 PolarHBondContact O-N 3.13Å; R303-P387 HydrophobicContact CB-CG 4.2Å; R303-P387 HydrophobicContact CG-CB 4.37Å; R303-P387 HydrophobicContact CG-CG 4.5Å; R303-P387 VanDerWaalsContact NH1-CB 3.32Å; R303-E389 VanDerWaalsContact CD-O 3.31Å; R303-E389 WeakPolarHBondContact CD-O 3.37Å; R303-E389 WeakPolarHBondContact CG-O 3.22Å; R303-E389 PolarHBondContact NH1-O 2.82Å; R303-E389 IonicContact NH1-OE2 3.24Å; R303-L391 HydrophobicContact CG-CD1 4.46Å; R303-L391 HydrophobicContact CG-CG 4.21Å
304P92.7Very high90.7Very high18 Ų1847.5 Ų47.512%0.11723%0.234CC..PPolyproline II helixtrans-57.1128.9177.8-24.733.6000111V302 F348 P386 P390 L391V302-P304 WeakPolarHBondContact O-CD 3.28Å; P304-F348 HydrophobicContact CG-CD1 4.44Å; P304-P386 HydrophobicContact CG-CB 4.36Å; P304-P390 HydrophobicContact CB-CB 4.34Å; P304-P390 WeakPolarHBondContact O-CA 3.35Å; P304-L391 PolarHBondContact O-N 2.92Å
305F94.5Very high89.5Confident18 Ų1852.6 Ų52.68%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-122.3118.8178.7176.5-150.1000110.6A269 L272 S273 E276 A277 R303 F307 L391 R393A269-F305 HydrophobicContact CB-CD1 4.18Å; L272-F305 VanDerWaalsContact CA-CZ 3.47Å; L272-F305 HydrophobicContact CB-CE2 4.38Å; L272-F305 HydrophobicContact CB-CZ 3.9Å; L272-F305 HydrophobicContact CD2-CD2 4.18Å; L272-F305 HydrophobicContact CD2-CE1 4.35Å; L272-F305 HydrophobicContact CD2-CE2 3.7Å; L272-F305 HydrophobicContact CD2-CZ 3.81Å; L272-F305 HydrophobicContact CG-CZ 4.48Å; S273-F305 WeakPolarHBondContact O-CE1 3.48Å; E276-F305 HydrophobicContact CB-CD1 4.27Å; E276-F305 HydrophobicContact CB-CE1 3.99Å; A277-F305 VanDerWaalsContact CA-CD1 3.46Å; A277-F305 HydrophobicContact CB-CD1 3.76Å; A277-F305 HydrophobicContact CB-CE1 3.8Å; A277-F305 HydrophobicContact CB-CG 4.27Å; A277-F305 HydrophobicContact CB-CZ 4.34Å; R303-F305 PolarHBondContact O-N 3.13Å; F305-F307 HydrophobicContact CE2-CB 4.36Å; F305-F307 HydrophobicContact CZ-CB 4.13Å; F305-F307 HydrophobicContact CZ-CD2 4.03Å; F305-L391 WeakPolarHBondContact CA-O 3.5Å; F305-L391 HydrophobicContact CB-CB 4.07Å; F305-L391 HydrophobicContact CD2-CB 3.65Å; F305-L391 HydrophobicContact CG-CB 4.1Å; F305-R393 HydrophobicContact CE2-CB 3.76Å; F305-R393 HydrophobicContact CZ-CB 4.15Å
306L92.7Very high88Confident45 Ų4550.9 Ų50.924%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-109.1117.6179.2-61.2173000110.1E341 A345 L391 I392 R393L306-E341 HydrophobicContact CD1-CB 3.71Å; L306-E341 HydrophobicContact CD1-CG 4.41Å; L306-E341 VanDerWaalsContact CD1-O 3.28Å; L306-E341 WeakPolarHBondContact CD1-O 3.34Å; L306-A345 HydrophobicContact CD1-CB 4.11Å; L306-L391 PolarHBondContact N-O 2.84Å; L306-I392 HydrophobicContact CB-CG1 4.46Å; L306-I392 CarbonylContact O-C 2.95Å; L306-I392 WeakPolarHBondContact O-CA 3.32Å; L306-R393 PolarHBondContact O-N 2.84Å
307F93.4Very high86.1Confident38 Ų3850.4 Ų50.417%0.16725%0.252CS..EExtended strand (participates in β ladder)trans-109.8131.3174.5-172-84.1000110.1E274 A277 F305 D309 R393 R395E274-F307 HydrophobicContact CB-CD1 4.08Å; E274-F307 HydrophobicContact CB-CE1 4.13Å; E274-F307 HydrophobicContact CG-CD1 4.39Å; A277-F307 HydrophobicContact CB-CB 3.64Å; F305-F307 HydrophobicContact CE2-CB 4.36Å; F305-F307 HydrophobicContact CZ-CB 4.13Å; F305-F307 HydrophobicContact CZ-CD2 4.03Å; F307-D309 VanDerWaalsContact CE1-OD1 3.31Å; F307-D309 WeakPolarHBondContact CE1-OD1 3.28Å; F307-R393 WeakPolarHBondContact CA-O 3.17Å; F307-R393 HydrophobicContact CD2-CB 3.83Å; F307-R393 HydrophobicContact CD2-CG 3.77Å; F307-R393 HydrophobicContact CE2-CB 4.33Å; F307-R393 HydrophobicContact CE2-CG 3.73Å; F307-R395 HydrophobicContact CZ-CB 4.13Å
308K92.6Very high84.3Confident70 Ų7059 Ų5930%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-138.4137.9177.7-75.8-166.1162.6-165.70112.6E341 R393 L394 R395K308-E341 HydrophobicContact CD-CG 3.91Å; K308-E341 WeakPolarHBondContact CE-OE1 3.26Å; K308-E341 VanDerWaalsContact CE-OE2 3.3Å; K308-E341 WeakPolarHBondContact CE-OE2 3.4Å; K308-E341 IonicContact NZ-OE1 3.53Å; K308-E341 PolarHBondContact NZ-OE1 3.37Å; K308-E341 IonicContact NZ-OE2 2.91Å; K308-R393 PolarHBondContact N-O 3.27Å; K308-L394 HydrophobicContact CB-CD1 3.85Å; K308-L394 CarbonylContact O-C 3.58Å; K308-L394 WeakPolarHBondContact O-CA 3.41Å; K308-R395 PolarHBondContact O-N 2.82Å
309D91.1Very high82.5Confident78 Ų7857.1 Ų57.142%0.41727%0.274SS..EExtended strand (participates in β ladder)trans-95.3136.8168.1-73.8-21.2000111F307 R395F307-D309 VanDerWaalsContact CE1-OD1 3.31Å; F307-D309 WeakPolarHBondContact CE1-OD1 3.28Å; D309-R395 WeakPolarHBondContact CA-O 3.47Å; D309-R395 VanDerWaalsContact CG-NH2 3.27Å; D309-R395 WeakPolarHBondContact OD1-CB 3.33Å; D309-R395 IonicContact OD1-CZ 3.69Å; D309-R395 VanDerWaalsContact OD1-CZ 3.25Å; D309-R395 IonicContact OD1-NE 3.6Å; D309-R395 PolarHBondContact OD1-NE 2.88Å; D309-R395 IonicContact OD1-NH2 3.81Å; D309-R395 PolarHBondContact OD1-NH2 2.83Å; D309-R395 VanDerWaalsContact OD1-NH2 3.09Å; D309-R395 IonicContact OD2-CZ 2.79Å; D309-R395 IonicContact OD2-NE 3.42Å; D309-R395 IonicContact OD2-NH2 3.77Å; D309-R395 PolarHBondContact OD2-NH2 2.91Å
310L88.5Confident80.8Confident2 Ų262.3 Ų62.31%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-129110176.3-175134.2000110.1L312 Y315 I333 L337 L394 R395 V396 D397L310-L312 HydrophobicContact CD2-CD2 3.3Å; L310-L312 HydrophobicContact CD2-CG 3.77Å; L310-Y315 HydrophobicContact CD1-CD2 4.12Å; L310-Y315 HydrophobicContact CD1-CE2 4.02Å; L310-Y315 HydrophobicContact CG-CD2 3.93Å; L310-Y315 HydrophobicContact CG-CE2 3.91Å; L310-I333 HydrophobicContact CD1-CG2 4.16Å; L310-L337 HydrophobicContact CD1-CD1 3.09Å; L310-L394 HydrophobicContact CB-CD1 4.05Å; L310-R395 PolarHBondContact N-O 3.5Å; L310-V396 HydrophobicContact CB-CG2 4.46Å; L310-V396 HydrophobicContact CD2-CG1 3.9Å; L310-V396 HydrophobicContact CD2-CG2 4.35Å; L310-V396 CarbonylContact O-C 3.58Å; L310-V396 WeakPolarHBondContact O-CA 3.14Å; L310-D397 PolarHBondContact O-N 2.82Å
311I85.6Confident79.4Confident69 Ų6958.9 Ų58.935%0.35430%0.297SS..EExtended strand (participates in β ladder)trans-88.7106.7172.7-58.5173.3000107.7Q313 D314 Y315I311-Q313 HydrophobicContact CG2-CB 4.21Å; I311-Q313 PolarHBondContact O-N 2.75Å; I311-Q313 VanDerWaalsContact O-N 3.15Å; I311-D314 WeakPolarHBondContact CB-OD2 3.46Å; I311-D314 PolarHBondContact O-N 2.85Å; I311-D314 VanDerWaalsContact O-N 3.14Å; I311-Y315 WeakPolarHBondContact O-CD2 3.31Å
312L81.1Confident77.7Confident1 Ų165.5 Ų65.51%0.00533%0.332CS..Hα-helixtrans-60.1-30.3-174.6-74.2174000113.4L310 D314 Y315 V316 I330 V396 D397 L398 F402L310-L312 HydrophobicContact CD2-CD2 3.3Å; L310-L312 HydrophobicContact CD2-CG 3.77Å; L312-D314 PolarHBondContact O-N 3.48Å; L312-Y315 PolarHBondContact O-N 2.79Å; L312-V316 WeakPolarHBondContact O-CB 3.22Å; L312-V316 VanDerWaalsContact O-CG2 3.25Å; L312-V316 WeakPolarHBondContact O-CG2 3.49Å; L312-V316 PolarHBondContact O-N 3.43Å; L312-I330 HydrophobicContact CD1-CD1 4.1Å; L312-I330 HydrophobicContact CD1-CG2 4.41Å; L312-I330 HydrophobicContact CD2-CD1 4.45Å; L312-I330 HydrophobicContact CD2-CG1 4.14Å; L312-I330 HydrophobicContact CD2-CG2 3.74Å; L312-V396 HydrophobicContact CD1-CG1 3.71Å; L312-V396 HydrophobicContact CD2-CG1 4.04Å; L312-V396 HydrophobicContact CG-CG1 3.68Å; L312-D397 PolarHBondContact N-O 3.03Å; L312-L398 HydrophobicContact CD1-CD2 3.49Å; L312-L398 VanDerWaalsContact CD1-CD2 3.49Å; L312-F402 HydrophobicContact CB-CD2 3.61Å; L312-F402 HydrophobicContact CB-CE2 3.55Å; L312-F402 HydrophobicContact CB-CG 4.33Å; L312-F402 HydrophobicContact CB-CZ 4.22Å; L312-F402 HydrophobicContact CD1-CB 3.78Å; L312-F402 HydrophobicContact CD1-CD2 3.73Å; L312-F402 HydrophobicContact CD1-CE2 4.49Å; L312-F402 HydrophobicContact CD1-CG 3.81Å; L312-F402 HydrophobicContact CG-CD2 4.35Å
313Q75.3Confident76.3Confident82 Ų8266 Ų6638%0.38334%0.339SS..Hα-helixtrans-59.1-35.8179.7-63.7-179.91000112I311 P317 F402I311-Q313 HydrophobicContact CG2-CB 4.21Å; I311-Q313 PolarHBondContact O-N 2.75Å; I311-Q313 VanDerWaalsContact O-N 3.15Å; Q313-P317 WeakPolarHBondContact O-CD 3.15Å; Q313-F402 HydrophobicContact CG-CE2 4.15Å
314D75.2Confident75Confident107 Ų10775 Ų7557%0.57238%0.379SS*.Hα-helixtrans-78.1-30.8-175.3-59.5-16.6000112.8I311 L312 P317I311-D314 WeakPolarHBondContact CB-OD2 3.46Å; I311-D314 PolarHBondContact O-N 2.85Å; I311-D314 VanDerWaalsContact O-N 3.14Å; L312-D314 PolarHBondContact O-N 3.48Å; D314-P317 WeakPolarHBondContact O-CD 3.36Å; D314-P317 WeakPolarHBondContact O-CG 3.17Å
315Y69Low74.2Confident132 Ų13277.1 Ų77.152%0.51839%0.389SS..Hα-helixtrans-86.4-20.7177.2-68.9-83.9000112.6L310 I311 L312L310-Y315 HydrophobicContact CD1-CD2 4.12Å; L310-Y315 HydrophobicContact CD1-CE2 4.02Å; L310-Y315 HydrophobicContact CG-CD2 3.93Å; L310-Y315 HydrophobicContact CG-CE2 3.91Å; I311-Y315 WeakPolarHBondContact O-CD2 3.31Å; L312-Y315 PolarHBondContact O-N 2.79Å
316V64.4Low73.4Confident11 Ų1176.6 Ų76.67%0.06739%0.387CS..  trans-115.340.1-175.6-168.70000114.5L312 K318 L319 F402L312-V316 WeakPolarHBondContact O-CB 3.22Å; L312-V316 VanDerWaalsContact O-CG2 3.25Å; L312-V316 WeakPolarHBondContact O-CG2 3.49Å; L312-V316 PolarHBondContact O-N 3.43Å; V316-K318 PolarHBondContact O-N 2.79Å; V316-L319 HydrophobicContact CG1-CB 3.4Å; V316-L319 VanDerWaalsContact CG1-CB 3.4Å; V316-L319 HydrophobicContact CG1-CD1 3.61Å; V316-L319 HydrophobicContact CG1-CG 3.72Å; V316-L319 HydrophobicContact CG2-CD1 4.33Å; V316-F402 HydrophobicContact CB-CE1 4.25Å; V316-F402 HydrophobicContact CB-CZ 4.05Å; V316-F402 HydrophobicContact CG1-CE1 3.89Å; V316-F402 HydrophobicContact CG1-CZ 4.11Å
317P57.5Low72.9Confident103 Ų10376.2 Ų76.267%0.66939%0.387SS*.THydrogen-bonded Turntrans-65.7-4.3168.9-20.630.9000114.6Q313 D314Q313-P317 WeakPolarHBondContact O-CD 3.15Å; D314-P317 WeakPolarHBondContact O-CD 3.36Å; D314-P317 WeakPolarHBondContact O-CG 3.17Å
318K56.2Low72.5Confident199 Ų19982.9 Ų82.987%0.86541%0.411SS*.THydrogen-bonded Turntrans-123.67-171.8-65.1-175.1-179.4178.40115.4V316V316-K318 PolarHBondContact O-N 2.79Å
319L57.6Low72Confident39 Ų3984.9 Ų84.920%0.20442%0.417CS..SBendtrans-117.7125.3176.9-52.7166.3000108.9V316 P321 R329V316-L319 HydrophobicContact CG1-CB 3.4Å; V316-L319 VanDerWaalsContact CG1-CB 3.4Å; V316-L319 HydrophobicContact CG1-CD1 3.61Å; V316-L319 HydrophobicContact CG1-CG 3.72Å; V316-L319 HydrophobicContact CG2-CD1 4.33Å; L319-P321 WeakPolarHBondContact O-CD 3.41Å; L319-R329 HydrophobicContact CD1-CB 4.16Å
320D58.8Low71.8Confident126 Ų12681.2 Ų81.267%0.67440%0.397SS*.  trans-55.1124.7166.7-73.4-40.5000108.1N322 A323 V326D320-N322 PolarHBondContact O-N 2.79Å; D320-A323 PolarHBondContact O-N 3.29Å; D320-V326 VanDerWaalsContact O-CG2 3.25Å; D320-V326 WeakPolarHBondContact O-CG2 3.36Å
321P59.9Low71.8Confident58 Ų5883.4 Ų83.438%0.37741%0.407SS..THydrogen-bonded Turntrans-59.8-11.9177.421-30.1000112.6L319L319-P321 WeakPolarHBondContact O-CD 3.41Å
322N57.5Low71.9Confident140 Ų14082.6 Ų82.675%0.74941%0.407SS*.THydrogen-bonded Turntrans-97.81.7178.1-68.8-6.8000114.3D320 F324D320-N322 PolarHBondContact O-N 2.79Å; N322-F324 PolarHBondContact O-N 2.78Å
323A65.5Low72.2Confident36 Ų3684.5 Ų84.530%0.29842%0.417SS..  trans-68.4131.8175.500000110D320 D325 V326D320-A323 PolarHBondContact O-N 3.29Å; A323-D325 PolarHBondContact O-N 3.08Å; A323-V326 HydrophobicContact CB-CG2 3.9Å; A323-V326 WeakPolarHBondContact O-CB 3.34Å; A323-V326 WeakPolarHBondContact O-CG2 3.35Å; A323-V326 PolarHBondContact O-N 3.17Å
324F65Low72.9Confident202 Ų20280.6 Ų80.689%0.88640%0.399SS*.THydrogen-bonded Turntrans-56.7-23.1-176.6-167-96000113.5N322N322-F324 PolarHBondContact O-N 2.78Å
325D76.1Confident73.7Confident63 Ų6377 Ų7734%0.33738%0.38SS..THydrogen-bonded Turntrans-96.27.8-179.2-68.7-40000114.8A323 V327 R328 R329A323-D325 PolarHBondContact O-N 3.08Å; D325-V327 VanDerWaalsContact C-N 3.32Å; D325-V327 PolarHBondContact O-N 3.25Å; D325-R328 PolarHBondContact O-N 3.5Å; D325-R328 IonicContact OD1-NH1 2.77Å; D325-R329 WeakPolarHBondContact O-CG 3.43Å; D325-R329 PolarHBondContact O-N 3.21Å
326V78.1Confident74.8Confident7 Ų777.4 Ų77.44%0.04238%0.384CS..Hα-helixtrans-56.9-45.8-176.6168.40000111.3D320 A323 R328 R329 I330 F402D320-V326 VanDerWaalsContact O-CG2 3.25Å; D320-V326 WeakPolarHBondContact O-CG2 3.36Å; A323-V326 HydrophobicContact CB-CG2 3.9Å; A323-V326 WeakPolarHBondContact O-CB 3.34Å; A323-V326 WeakPolarHBondContact O-CG2 3.35Å; A323-V326 PolarHBondContact O-N 3.17Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 3.34Å; V326-R329 PolarHBondContact O-N 2.9Å; V326-R329 VanDerWaalsContact O-N 3.14Å; V326-I330 HydrophobicContact CG1-CD1 3.6Å; V326-I330 HydrophobicContact CG1-CG1 4.19Å; V326-I330 VanDerWaalsContact O-CG1 3.28Å; V326-I330 WeakPolarHBondContact O-CG1 3.43Å; V326-I330 PolarHBondContact O-N 3.47Å; V326-F402 HydrophobicContact CG1-CD1 4.02Å
327V82.4Confident76.1Confident38 Ų3878.6 Ų78.623%0.2339%0.39CS..Hα-helixtrans-58.8-44.8179.9-179.40000111.5D325 R329 I330 E331 E403 F405D325-V327 VanDerWaalsContact C-N 3.32Å; D325-V327 PolarHBondContact O-N 3.25Å; V327-R329 VanDerWaalsContact C-N 3.34Å; V327-R329 PolarHBondContact O-N 2.96Å; V327-I330 PolarHBondContact O-N 3.32Å; V327-E331 WeakPolarHBondContact O-CB 3.48Å; V327-E331 PolarHBondContact O-N 3.15Å; V327-E403 HydrophobicContact CG2-CB 4.01Å; V327-E403 HydrophobicContact CG2-CG 4.31Å; V327-F405 HydrophobicContact CG1-CB 3.95Å
328R84.6Confident77.7Confident177 Ų17773.9 Ų73.967%0.66836%0.359SS*.Hα-helixtrans-65.3-36.7178.1-70.3-179.3175.5170.7-3112.4D325 V326 S332D325-R328 PolarHBondContact O-N 3.5Å; D325-R328 IonicContact OD1-NH1 2.77Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 3.34Å; R328-S332 WeakPolarHBondContact O-CB 3.02Å; R328-S332 PolarHBondContact O-N 2.93Å
329R82.9Confident79.5Confident112 Ų11268.7 Ų68.742%0.42334%0.338SS..Hα-helixtrans-68.5-43.5176.7-68.3179.6-163.8-165.66.6111.1L319 D325 V326 V327 E331 S332 I333L319-R329 HydrophobicContact CD1-CB 4.16Å; D325-R329 WeakPolarHBondContact O-CG 3.43Å; D325-R329 PolarHBondContact O-N 3.21Å; V326-R329 PolarHBondContact O-N 2.9Å; V326-R329 VanDerWaalsContact O-N 3.14Å; V327-R329 VanDerWaalsContact C-N 3.34Å; V327-R329 PolarHBondContact O-N 2.96Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 3.29Å; R329-S332 PolarHBondContact O-N 3.4Å; R329-I333 WeakPolarHBondContact O-CG1 3.5Å; R329-I333 PolarHBondContact O-N 3.21Å
330I85.6Confident81.1Confident2 Ų269.3 Ų69.31%0.0135%0.346CS..Hα-helixtrans-60.4-45.3174.8-63.6169.5000110L312 V326 V327 S332 I333 C334 F402 F405L312-I330 HydrophobicContact CD1-CD1 4.1Å; L312-I330 HydrophobicContact CD1-CG2 4.41Å; L312-I330 HydrophobicContact CD2-CD1 4.45Å; L312-I330 HydrophobicContact CD2-CG1 4.14Å; L312-I330 HydrophobicContact CD2-CG2 3.74Å; V326-I330 HydrophobicContact CG1-CD1 3.6Å; V326-I330 HydrophobicContact CG1-CG1 4.19Å; V326-I330 VanDerWaalsContact O-CG1 3.28Å; V326-I330 WeakPolarHBondContact O-CG1 3.43Å; V326-I330 PolarHBondContact O-N 3.47Å; V327-I330 PolarHBondContact O-N 3.32Å; I330-S332 VanDerWaalsContact C-N 3.33Å; I330-S332 PolarHBondContact O-N 3.5Å; I330-I333 PolarHBondContact O-N 3.37Å; I330-C334 PolarHBondContact O-N 3.04Å; I330-C334 PolarHBondContact O-SG 3.26Å; I330-F402 HydrophobicContact CD1-CB 4.09Å; I330-F402 HydrophobicContact CD1-CD1 4.06Å; I330-F402 HydrophobicContact CD1-CG 4.32Å; I330-F405 HydrophobicContact CG2-CD1 4.49Å; I330-F405 HydrophobicContact CG2-CE1 3.91Å
331E88.9Confident82.6Confident48 Ų4863.8 Ų63.822%0.22432%0.316CS..Hα-helixtrans-57.9-45.3176.5-163.3-177.5167.200111.4V327 R329 I333 C334 D335 F410 K413V327-E331 WeakPolarHBondContact O-CB 3.48Å; V327-E331 PolarHBondContact O-N 3.15Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 3.29Å; E331-I333 VanDerWaalsContact C-N 3.35Å; E331-I333 PolarHBondContact O-N 2.87Å; E331-C334 PolarHBondContact O-N 2.84Å; E331-D335 WeakPolarHBondContact O-CB 3.22Å; E331-D335 PolarHBondContact O-N 3.5Å; E331-F410 HydrophobicContact CG-CD2 3.71Å; E331-F410 HydrophobicContact CG-CE2 3.9Å; E331-K413 WeakPolarHBondContact OE1-CE 3.38Å; E331-K413 IonicContact OE1-NZ 3.26Å; E331-K413 PolarHBondContact OE1-NZ 3.34Å
332S88.4Confident84.1Confident51 Ų5161.4 Ų61.436%0.35730%0.3SS..Hα-helixtrans-64.9-34.6177.4-175.20000113.4R328 R329 I330 K336R328-S332 WeakPolarHBondContact O-CB 3.02Å; R328-S332 PolarHBondContact O-N 2.93Å; R329-S332 PolarHBondContact O-N 3.4Å; I330-S332 VanDerWaalsContact C-N 3.33Å; I330-S332 PolarHBondContact O-N 3.5Å; S332-K336 WeakPolarHBondContact O-CG 3.33Å; S332-K336 PolarHBondContact O-N 2.68Å; S332-K336 VanDerWaalsContact O-N 3.12Å
333I87.8Confident85.7Confident42 Ų4257.9 Ų57.922%0.21529%0.287CS..Hα-helixtrans-66.1-46.2174.2-67.8164.2000109.8L310 R329 I330 E331 D335 K336 L337L310-I333 HydrophobicContact CD1-CG2 4.16Å; R329-I333 WeakPolarHBondContact O-CG1 3.5Å; R329-I333 PolarHBondContact O-N 3.21Å; I330-I333 PolarHBondContact O-N 3.37Å; E331-I333 VanDerWaalsContact C-N 3.35Å; E331-I333 PolarHBondContact O-N 2.87Å; I333-D335 PolarHBondContact O-N 3.2Å; I333-K336 PolarHBondContact O-N 3.25Å; I333-L337 HydrophobicContact CG2-CD1 3.94Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.89Å; I333-L337 VanDerWaalsContact O-N 3.08Å
334C90Very high86.8Confident0 Ų061.1 Ų61.10%029%0.294CS..Hα-helixtrans-62-43.2177.4-62.20000111.5I330 E331 K336 L337 I338 L394 F405 F410 I425I330-C334 PolarHBondContact O-N 3.04Å; I330-C334 PolarHBondContact O-SG 3.26Å; E331-C334 PolarHBondContact O-N 2.84Å; C334-K336 PolarHBondContact O-N 3.38Å; C334-L337 PolarHBondContact O-N 3.18Å; C334-I338 WeakPolarHBondContact O-CG1 3.41Å; C334-I338 PolarHBondContact O-N 3.35Å; C334-L394 HydrophobicContact CB-CD2 4.04Å; C334-F405 HydrophobicContact CB-CZ 4.35Å; C334-F410 HydrophobicContact CB-CE2 3.86Å; C334-F410 HydrophobicContact CB-CZ 3.75Å; C334-I425 HydrophobicContact CB-CD1 4.1Å
335D92.5Very high87.8Confident32 Ų3251.8 Ų51.817%0.17125%0.254CS..Hα-helixtrans-56.6-51.5176.7-80.2-26.6000110.7E331 I333 L337 I338 E339 F410 K413E331-D335 WeakPolarHBondContact O-CB 3.22Å; E331-D335 PolarHBondContact O-N 3.5Å; I333-D335 PolarHBondContact O-N 3.2Å; D335-L337 VanDerWaalsContact C-N 3.34Å; D335-L337 PolarHBondContact O-N 3.31Å; D335-I338 PolarHBondContact O-N 2.56Å; D335-E339 WeakPolarHBondContact O-CB 3.37Å; D335-E339 WeakPolarHBondContact O-CG 3.38Å; D335-E339 PolarHBondContact O-N 3.31Å; D335-F410 WeakPolarHBondContact OD1-CE2 3.5Å; D335-F410 WeakPolarHBondContact OD1-CZ 3.27Å; D335-K413 IonicContact OD1-NZ 2.69Å; D335-K413 PolarHBondContact OD1-NZ 2.92Å; D335-K413 IonicContact OD2-NZ 3.81Å; D335-K413 PolarHBondContact OD2-NZ 3.11Å
336K91.3Very high88.3Confident139 Ų13952.1 Ų52.160%0.60426%0.258SS*.Hα-helixtrans-61.7-40-179.7-73.4173.9-176.4177.10113S332 I333 C334 S340S332-K336 WeakPolarHBondContact O-CG 3.33Å; S332-K336 PolarHBondContact O-N 2.68Å; S332-K336 VanDerWaalsContact O-N 3.12Å; I333-K336 PolarHBondContact O-N 3.25Å; C334-K336 PolarHBondContact O-N 3.38Å; K336-S340 WeakPolarHBondContact O-CB 3.25Å; K336-S340 PolarHBondContact O-N 3.17Å
337L91.1Very high88.6Confident37 Ų3755 Ų5519%0.19428%0.276CS..Hα-helixtrans-66.2-47.2179.1-73.4169.3000110.8L310 I333 C334 D335 E339 S340 E341L310-L337 HydrophobicContact CD1-CD1 3.09Å; I333-L337 HydrophobicContact CG2-CD1 3.94Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.89Å; I333-L337 VanDerWaalsContact O-N 3.08Å; C334-L337 PolarHBondContact O-N 3.18Å; D335-L337 VanDerWaalsContact C-N 3.34Å; D335-L337 PolarHBondContact O-N 3.31Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.39Å; L337-S340 WeakPolarHBondContact O-CB 3.42Å; L337-S340 PolarHBondContact O-N 3.05Å; L337-E341 WeakPolarHBondContact O-CG 3.41Å; L337-E341 PolarHBondContact O-N 3.38Å
338I92Very high88.6Confident3 Ų358.6 Ų58.62%0.01529%0.288CS..Hα-helixtrans-64.9-39.2179.3-71.1168.2000110.8C334 D335 S340 E341 I342 I392 L394 F410 F414 I425C334-I338 WeakPolarHBondContact O-CG1 3.41Å; C334-I338 PolarHBondContact O-N 3.35Å; D335-I338 PolarHBondContact O-N 2.56Å; I338-S340 VanDerWaalsContact C-N 3.35Å; I338-S340 PolarHBondContact O-N 3.32Å; I338-E341 PolarHBondContact O-N 2.8Å; I338-I342 HydrophobicContact CG2-CD1 3.84Å; I338-I342 HydrophobicContact CG2-CG1 4.33Å; I338-I342 VanDerWaalsContact O-CG1 3.25Å; I338-I342 WeakPolarHBondContact O-CG1 3.44Å; I338-I342 PolarHBondContact O-N 3.47Å; I338-I392 HydrophobicContact CG1-CG2 4.31Å; I338-I392 HydrophobicContact CG2-CD1 4.32Å; I338-L394 HydrophobicContact CD1-CD2 4.5Å; I338-F410 HydrophobicContact CD1-CD1 4.5Å; I338-F410 HydrophobicContact CD1-CE1 3.36Å; I338-F410 HydrophobicContact CD1-CZ 3.77Å; I338-F414 HydrophobicContact CB-CE1 4.32Å; I338-F414 HydrophobicContact CB-CZ 4.18Å; I338-F414 HydrophobicContact CG2-CD1 3.84Å; I338-F414 HydrophobicContact CG2-CD2 4.42Å; I338-F414 HydrophobicContact CG2-CE1 3.6Å; I338-F414 HydrophobicContact CG2-CE2 4.23Å; I338-F414 HydrophobicContact CG2-CG 4.25Å; I338-F414 HydrophobicContact CG2-CZ 3.81Å; I338-I425 HydrophobicContact CD1-CD1 4.28Å; I338-I425 HydrophobicContact CD1-CG1 4.34Å
339E92.9Very high88.4Confident90 Ų9051 Ų5142%0.42126%0.263SS..Hα-helixtrans-62.5-39.8173.6-75-176162.100113.2D335 L337 E341 S343 F414 R417D335-E339 WeakPolarHBondContact O-CB 3.37Å; D335-E339 WeakPolarHBondContact O-CG 3.38Å; D335-E339 PolarHBondContact O-N 3.31Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.39Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E339-S343 WeakPolarHBondContact O-CB 3.42Å; E339-S343 PolarHBondContact O-N 3.08Å; E339-S343 PolarHBondContact O-OG 3.4Å; E339-F414 HydrophobicContact CG-CE1 4.16Å; E339-R417 IonicContact OE1-NH1 3.94Å
340S92Very high88.3Confident53 Ų5348.6 Ų48.637%0.37126%0.263SS..Hα-helixtrans-62.3-43.3174.1-174.20000111.3K336 L337 I338 S343 K344K336-S340 WeakPolarHBondContact O-CB 3.25Å; K336-S340 PolarHBondContact O-N 3.17Å; L337-S340 WeakPolarHBondContact O-CB 3.42Å; L337-S340 PolarHBondContact O-N 3.05Å; I338-S340 VanDerWaalsContact C-N 3.35Å; I338-S340 PolarHBondContact O-N 3.32Å; S340-S343 WeakPolarHBondContact O-CB 3.13Å; S340-S343 PolarHBondContact O-N 2.81Å; S340-K344 WeakPolarHBondContact O-CG 3.41Å; S340-K344 PolarHBondContact O-N 3Å; S340-K344 VanDerWaalsContact O-N 3.09Å
341E90.8Very high88.1Confident9 Ų954.2 Ų54.24%0.04229%0.289CS..Hα-helixtrans-67.9-42.5179-68.2-34.3113.800112.9L306 K308 L337 I338 E339 S343 K344 A345 I392L306-E341 HydrophobicContact CD1-CB 3.71Å; L306-E341 HydrophobicContact CD1-CG 4.41Å; L306-E341 VanDerWaalsContact CD1-O 3.28Å; L306-E341 WeakPolarHBondContact CD1-O 3.34Å; K308-E341 HydrophobicContact CD-CG 3.91Å; K308-E341 WeakPolarHBondContact CE-OE1 3.26Å; K308-E341 VanDerWaalsContact CE-OE2 3.3Å; K308-E341 WeakPolarHBondContact CE-OE2 3.4Å; K308-E341 IonicContact NZ-OE1 3.53Å; K308-E341 PolarHBondContact NZ-OE1 3.37Å; K308-E341 IonicContact NZ-OE2 2.91Å; L337-E341 WeakPolarHBondContact O-CG 3.41Å; L337-E341 PolarHBondContact O-N 3.38Å; I338-E341 PolarHBondContact O-N 2.8Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E341-S343 VanDerWaalsContact C-N 3.26Å; E341-S343 PolarHBondContact O-N 3.38Å; E341-K344 PolarHBondContact O-N 2.86Å; E341-K344 IonicContact OE1-NZ 3.24Å; E341-K344 PolarHBondContact OE1-NZ 3.28Å; E341-K344 IonicContact OE2-NZ 3.62Å; E341-K344 PolarHBondContact OE2-NZ 2.75Å; E341-A345 PolarHBondContact O-N 3.19Å; E341-I392 HydrophobicContact CB-CD1 4.18Å
342I91.1Very high87.4Confident8 Ų853.1 Ų53.14%0.04129%0.288CS..Hα-helixtrans-57.7-44.3173.1-67.2166.1000110I338 K344 A345 V346 I392 F414 R417 V418I338-I342 HydrophobicContact CG2-CD1 3.84Å; I338-I342 HydrophobicContact CG2-CG1 4.33Å; I338-I342 VanDerWaalsContact O-CG1 3.25Å; I338-I342 WeakPolarHBondContact O-CG1 3.44Å; I338-I342 PolarHBondContact O-N 3.47Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 2.8Å; I342-A345 PolarHBondContact O-N 3.38Å; I342-V346 HydrophobicContact CG2-CG2 4.23Å; I342-V346 VanDerWaalsContact O-CG2 3.27Å; I342-V346 WeakPolarHBondContact O-CG2 3.48Å; I342-V346 PolarHBondContact O-N 3.45Å; I342-I392 HydrophobicContact CB-CD1 4.47Å; I342-I392 HydrophobicContact CD1-CD1 4.34Å; I342-I392 HydrophobicContact CG1-CD1 3.4Å; I342-I392 VanDerWaalsContact CG1-CD1 3.4Å; I342-F414 HydrophobicContact CD1-CD1 3.68Å; I342-F414 HydrophobicContact CD1-CE1 4.12Å; I342-R417 HydrophobicContact CD1-CB 4.3Å; I342-V418 HydrophobicContact CD1-CG1 3.9Å; I342-V418 HydrophobicContact CG1-CG1 4.07Å
343S91.1Very high86.7Confident67 Ų6753.6 Ų53.647%0.46929%0.286SS..Hα-helixtrans-61.2-42-179.9-56.40000111.6E339 S340 E341 V346 T347E339-S343 WeakPolarHBondContact O-CB 3.42Å; E339-S343 PolarHBondContact O-N 3.08Å; E339-S343 PolarHBondContact O-OG 3.4Å; S340-S343 WeakPolarHBondContact O-CB 3.13Å; S340-S343 PolarHBondContact O-N 2.81Å; E341-S343 VanDerWaalsContact C-N 3.26Å; E341-S343 PolarHBondContact O-N 3.38Å; S343-V346 PolarHBondContact O-N 2.77Å; S343-T347 PolarHBondContact O-N 2.85Å; S343-T347 PolarHBondContact O-OG1 3.04Å
344K88.1Confident86.1Confident104 Ų10453.8 Ų53.845%0.45229%0.294SS..Hα-helixtrans-63.1-45.2175.5-68.9170.3-172.7168.30112.5S340 E341 I342 V346 T347 F348S340-K344 WeakPolarHBondContact O-CG 3.41Å; S340-K344 PolarHBondContact O-N 3Å; S340-K344 VanDerWaalsContact O-N 3.09Å; E341-K344 PolarHBondContact O-N 2.86Å; E341-K344 IonicContact OE1-NZ 3.24Å; E341-K344 PolarHBondContact OE1-NZ 3.28Å; E341-K344 IonicContact OE2-NZ 3.62Å; E341-K344 PolarHBondContact OE2-NZ 2.75Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 2.8Å; K344-V346 VanDerWaalsContact C-N 3.34Å; K344-V346 PolarHBondContact O-N 2.84Å; K344-T347 PolarHBondContact O-N 3.25Å; K344-F348 WeakPolarHBondContact O-CB 3.46Å; K344-F348 PolarHBondContact O-N 2.92Å
345A86.2Confident85.2Confident5 Ų556.5 Ų56.54%0.04131%0.314CS..Hα-helixtrans-63.7-39.2179.500000112.6L306 E341 I342 F348 S349 P390L306-A345 HydrophobicContact CD1-CB 4.11Å; E341-A345 PolarHBondContact O-N 3.19Å; I342-A345 PolarHBondContact O-N 3.38Å; A345-F348 PolarHBondContact O-N 2.97Å; A345-S349 WeakPolarHBondContact O-CB 3.38Å; A345-S349 PolarHBondContact O-N 3.08Å; A345-S349 PolarHBondContact O-OG 3.32Å; A345-P390 HydrophobicContact CB-CB 3.65Å; A345-P390 HydrophobicContact CB-CG 3.72Å
346V85.7Confident83.8Confident71 Ų7156.5 Ų56.543%0.4331%0.312SS..Hα-helixtrans-66.4-43.8176172.60000110.6I342 S343 K344 S349 S350I342-V346 HydrophobicContact CG2-CG2 4.23Å; I342-V346 VanDerWaalsContact O-CG2 3.27Å; I342-V346 WeakPolarHBondContact O-CG2 3.48Å; I342-V346 PolarHBondContact O-N 3.45Å; S343-V346 PolarHBondContact O-N 2.77Å; K344-V346 VanDerWaalsContact C-N 3.34Å; K344-V346 PolarHBondContact O-N 2.84Å; V346-S349 PolarHBondContact O-N 3.27Å; V346-S350 WeakPolarHBondContact O-CB 3.48Å; V346-S350 PolarHBondContact O-N 2.81Å; V346-S350 PolarHBondContact O-OG 3.1Å
347T86.3Confident82.4Confident67 Ų6754.5 Ų54.541%0.41131%0.308SS..Hα-helixtrans-58.7-49.5174.9-58.10000110.8S343 K344 S349 S350 E351S343-T347 PolarHBondContact O-N 2.85Å; S343-T347 PolarHBondContact O-OG1 3.04Å; K344-T347 PolarHBondContact O-N 3.25Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 2.94Å; T347-S350 WeakPolarHBondContact CA-OG 3.21Å; T347-S350 PolarHBondContact O-N 2.83Å; T347-S350 VanDerWaalsContact O-N 3.1Å; T347-S350 PolarHBondContact O-OG 2.84Å; T347-E351 HydrophobicContact CG2-CG 4.4Å; T347-E351 WeakPolarHBondContact CG2-OE1 3.34Å; T347-E351 WeakPolarHBondContact O-CG 3.31Å; T347-E351 PolarHBondContact O-N 2.78Å
348F82.3Confident80.8Confident113 Ų11358.5 Ų58.550%0.49633%0.33SS..Hα-helixtrans-56.5-46177.2-179.4-99.4000112.5P304 K344 A345 S350 E351 A352P304-F348 HydrophobicContact CG-CD1 4.44Å; K344-F348 WeakPolarHBondContact O-CB 3.46Å; K344-F348 PolarHBondContact O-N 2.92Å; A345-F348 PolarHBondContact O-N 2.97Å; F348-S350 VanDerWaalsContact C-N 3.31Å; F348-S350 PolarHBondContact O-N 2.88Å; F348-E351 PolarHBondContact O-N 2.77Å; F348-A352 WeakPolarHBondContact O-CB 3.45Å; F348-A352 PolarHBondContact O-N 2.86Å
349S79.4Confident79.1Confident18 Ų1861.9 Ų61.913%0.12635%0.35CS..Hα-helixtrans-64.7-36.1178-55.80000112.3A345 V346 T347 L353A345-S349 WeakPolarHBondContact O-CB 3.38Å; A345-S349 PolarHBondContact O-N 3.08Å; A345-S349 PolarHBondContact O-OG 3.32Å; V346-S349 PolarHBondContact O-N 3.27Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 2.94Å; S349-L353 WeakPolarHBondContact O-CB 3.1Å; S349-L353 PolarHBondContact O-N 3.32Å
350S80.3Confident76.9Confident62 Ų6263.4 Ų63.443%0.43436%0.361SS..Hα-helixtrans-72.3-35177.174.10000113.2V346 T347 F348 L353 A354V346-S350 WeakPolarHBondContact O-CB 3.48Å; V346-S350 PolarHBondContact O-N 2.81Å; V346-S350 PolarHBondContact O-OG 3.1Å; T347-S350 WeakPolarHBondContact CA-OG 3.21Å; T347-S350 PolarHBondContact O-N 2.83Å; T347-S350 VanDerWaalsContact O-N 3.1Å; T347-S350 PolarHBondContact O-OG 2.84Å; F348-S350 VanDerWaalsContact C-N 3.31Å; F348-S350 PolarHBondContact O-N 2.88Å; S350-L353 WeakPolarHBondContact O-CB 3.44Å; S350-L353 PolarHBondContact O-N 3.09Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.38Å
351E81.5Confident74.2Confident119 Ų11965 Ų6556%0.55638%0.377SS*.Hα-helixtrans-69-42.3174.5-73174.5-177.800110.9T347 F348 L353 A354 S355T347-E351 HydrophobicContact CG2-CG 4.4Å; T347-E351 WeakPolarHBondContact CG2-OE1 3.34Å; T347-E351 WeakPolarHBondContact O-CG 3.31Å; T347-E351 PolarHBondContact O-N 2.78Å; F348-E351 PolarHBondContact O-N 2.77Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.85Å; E351-A354 PolarHBondContact O-N 3.31Å; E351-S355 PolarHBondContact O-N 2.66Å
352A75.3Confident71.6Confident25 Ų2569 Ų6921%0.20741%0.407CS..Hα-helixtrans-57.5-46.6172.500000110.9F348 A354 S355 E356 P386F348-A352 WeakPolarHBondContact O-CB 3.45Å; F348-A352 PolarHBondContact O-N 2.86Å; A352-A354 PolarHBondContact O-N 3.17Å; A352-S355 PolarHBondContact O-N 3.23Å; A352-S355 PolarHBondContact O-OG 3.28Å; A352-E356 PolarHBondContact O-N 2.97Å; A352-P386 HydrophobicContact CB-CG 4.18Å
353L72.3Confident69.3Low61 Ų6176 Ų7632%0.31944%0.437SS..Hα-helixtrans-60-43.1175.1178.865.5000112.8S349 S350 E351 S355 E356 L357 L385S349-L353 WeakPolarHBondContact O-CB 3.1Å; S349-L353 PolarHBondContact O-N 3.32Å; S350-L353 WeakPolarHBondContact O-CB 3.44Å; S350-L353 PolarHBondContact O-N 3.09Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.85Å; L353-S355 VanDerWaalsContact C-N 3.33Å; L353-E356 PolarHBondContact O-N 3.28Å; L353-L357 HydrophobicContact CG-CD1 4.45Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.25Å; L353-L385 HydrophobicContact CB-CD2 4Å; L353-L385 HydrophobicContact CD1-CD1 3.46Å; L353-L385 VanDerWaalsContact CD1-CD1 3.46Å; L353-L385 HydrophobicContact CD1-CD2 3.52Å; L353-L385 HydrophobicContact CD1-CG 4.13Å; L353-L385 HydrophobicContact CG-CD2 4.38Å
354A75.3Confident66.7Low46 Ų4677.2 Ų77.238%0.3845%0.445SS..Hα-helixtrans-66.4-35.5178.200000112.3S350 E351 A352 L357 N358S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.38Å; E351-A354 PolarHBondContact O-N 3.31Å; A352-A354 PolarHBondContact O-N 3.17Å; A354-L357 PolarHBondContact O-N 3.03Å; A354-N358 PolarHBondContact O-N 2.94Å; A354-N358 PolarHBondContact O-ND2 2.87Å
355S71.1Confident63.9Low58 Ų5878.8 Ų78.841%0.40646%0.464SS..Hα-helixtrans-65.2-39.2177.578.80000112.1E351 A352 L353 N358 V359E351-S355 PolarHBondContact O-N 2.66Å; A352-S355 PolarHBondContact O-N 3.23Å; A352-S355 PolarHBondContact O-OG 3.28Å; L353-S355 VanDerWaalsContact C-N 3.33Å; S355-N358 PolarHBondContact O-N 2.84Å; S355-V359 WeakPolarHBondContact O-CG2 3.46Å; S355-V359 PolarHBondContact O-N 3.47Å
356E63.5Low61.2Low31 Ų3183.3 Ų83.315%0.14550%0.495CS..Hα-helixtrans-66.9-41.9177.3-67.5-157.9146.500112R300 A352 L353 N358 V359 L385R300-E356 IonicContact NH1-OE1 2.8Å; R300-E356 PolarHBondContact NH1-OE1 2.64Å; R300-E356 VanDerWaalsContact NH1-OE1 3.11Å; A352-E356 PolarHBondContact O-N 2.97Å; L353-E356 PolarHBondContact O-N 3.28Å; E356-N358 PolarHBondContact O-N 3.34Å; E356-V359 PolarHBondContact O-N 2.98Å; E356-L385 HydrophobicContact CG-CD2 4.48Å; E356-L385 VanDerWaalsContact OE2-CD2 3.26Å; E356-L385 WeakPolarHBondContact OE2-CD2 3.42Å
357L61.5Low58.6Low98 Ų9884.1 Ų84.151%0.51351%0.509SS..Hα-helixtrans-62.2-26.8180-70.3169.3000113.4L353 A354L353-L357 HydrophobicContact CG-CD1 4.45Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.25Å; A354-L357 PolarHBondContact O-N 3.03Å
358N57.2Low55.9Low121 Ų12183.8 Ų83.865%0.64751%0.513SS*.Hα-helixtrans-85.8-23.7-179.2-74.3-33.2000113.8A354 S355 E356A354-N358 PolarHBondContact O-N 2.94Å; A354-N358 PolarHBondContact O-ND2 2.87Å; S355-N358 PolarHBondContact O-N 2.84Å; E356-N358 PolarHBondContact O-N 3.34Å
359V56.9Low53.4Low73 Ų7387.2 Ų87.244%0.44253%0.531SS..Hα-helixtrans-75.3-31.1-177.6175.20000111.6S355 E356 A361S355-V359 WeakPolarHBondContact O-CG2 3.46Å; S355-V359 PolarHBondContact O-N 3.47Å; E356-V359 PolarHBondContact O-N 2.98Å; V359-A361 VanDerWaalsContact C-N 3.3Å; V359-A361 PolarHBondContact O-N 3.36Å
360D46Very low51.4Low123 Ų12393.8 Ų93.866%0.65855%0.554SS**THydrogen-bonded Turntrans-72.5-17.4-177.4-71.5-19.9000114.3
361A36Very low49.2Very low86 Ų8697.6 Ų97.671%0.71157%0.565SS**THydrogen-bonded Turntrans-82.4-13.5-178.900000114.5V359V359-A361 VanDerWaalsContact C-N 3.3Å; V359-A361 PolarHBondContact O-N 3.36Å
362S37.3Very low47.1Very low94 Ų9494.9 Ų94.966%0.65756%0.558SS**THydrogen-bonded Turntrans-122.3-8.6-173.459.20000115.3
363K41Very low45.5Very low154 Ų15498 Ų9867%0.6757%0.572SS**SBendtrans-116.95.1177.5-73.2-174.9178.7179.80114.8T365 S366K363-T365 PolarHBondContact O-N 3.28Å; K363-S366 PolarHBondContact O-N 3.12Å
364S37.4Very low44Very low93 Ų93103.2 Ų103.265%0.6559%0.594SS**THydrogen-bonded Turntrans-68.96.9179.658.90000115.3
365T30.3Very low42.4Very low137 Ų137108.6 Ų108.684%0.8462%0.617SS**THydrogen-bonded Turntrans-103.14.6175.9-3.60000114.3K363K363-T365 PolarHBondContact O-N 3.28Å
366S29.2Very low41Very low100 Ų100109.7 Ų109.770%0.69962%0.617SS**  trans-153.562.4163.969.50000110.2K363 A368K363-S366 PolarHBondContact O-N 3.12Å; S366-A368 PolarHBondContact O-N 3.29Å
367A29.9Very low39.6Very low87 Ų87117.1 Ų117.172%0.71965%0.649SS**  trans-62.794.5147.500000104.2E369A367-E369 VanDerWaalsContact C-N 3.25Å; A367-E369 PolarHBondContact O-N 3.03Å
368A30.2Very low38.8Very low60 Ų60115.5 Ų115.550%0.49664%0.64SS.*  trans-53.7109.4158.900000104S366 Y370S366-A368 PolarHBondContact O-N 3.29Å; A368-Y370 HydrophobicContact CB-CD2 3.83Å; A368-Y370 HydrophobicContact CB-CE2 3.57Å; A368-Y370 WeakPolarHBondContact O-CD2 3.48Å; A368-Y370 PolarHBondContact O-N 2.89Å
369E29.1Very low37.7Very low186 Ų186115.4 Ų115.487%0.86964%0.644SS**  trans-54.383.8158.2-69.8172163.300104.8A367 E371A367-E369 VanDerWaalsContact C-N 3.25Å; A367-E369 PolarHBondContact O-N 3.03Å; E369-E371 VanDerWaalsContact C-N 3.34Å; E369-E371 PolarHBondContact O-N 2.8Å; E369-E371 VanDerWaalsContact O-N 3.14Å
370Y39Very low36.8Very low156 Ų156113.4 Ų113.461%0.61263%0.633SS**  trans-69.6108.5160.7-75.2-77.1000103A368 C372A368-Y370 HydrophobicContact CB-CD2 3.83Å; A368-Y370 HydrophobicContact CB-CE2 3.57Å; A368-Y370 WeakPolarHBondContact O-CD2 3.48Å; A368-Y370 PolarHBondContact O-N 2.89Å; Y370-C372 PolarHBondContact O-N 2.89Å
371E32.8Very low36.6Very low141 Ų141113.9 Ų113.966%0.65964%0.641SS**  trans-55.273.5165.5-74.5179162.600108.7E369E369-E371 VanDerWaalsContact C-N 3.34Å; E369-E371 PolarHBondContact O-N 2.8Å; E369-E371 VanDerWaalsContact O-N 3.14Å
372C38.8Very low37.4Very low63 Ų63115.4 Ų115.443%0.42663%0.633SS.*  trans-71.3123.5152.152.60000104.8Y370 E374Y370-C372 PolarHBondContact O-N 2.89Å; C372-E374 PolarHBondContact O-N 3.06Å
373N41.4Very low38.5Very low91 Ų91117.9 Ų117.949%0.48763%0.628SS.*  trans-13.8110.1-176.2-70.3-37.4000113.6N375 I376N373-N375 PolarHBondContact O-N 2.72Å; N373-I376 PolarHBondContact O-N 3.27Å
374E39.4Very low40Very low170 Ų170112.4 Ų112.479%0.79461%0.606SS**THydrogen-bonded Turntrans-52.4-5-172.7-70.4-164.413300115.7C372C372-E374 PolarHBondContact O-N 3.06Å
375N41.7Very low41.9Very low159 Ų159109.7 Ų109.785%0.8558%0.584SS**THydrogen-bonded Turntrans-105.33.2-179.6-66.6-38.5000115.3N373N373-N375 PolarHBondContact O-N 2.72Å
376I43Very low44.2Very low81 Ų81103.8 Ų103.842%0.41555%0.548SS..  trans-118.291.2169.3-55.9176000107.7I79 N373 I378I79-I376 HydrophobicContact CG1-CD1 4.07Å; N373-I376 PolarHBondContact O-N 3.27Å; I376-I378 VanDerWaalsContact C-N 3.29Å; I376-I378 PolarHBondContact O-N 3.31Å
377K34Very low46.8Very low186 Ų18699.6 Ų99.681%0.80952%0.518SS*.  trans-55.5103.8157.6-79.8-178.2178177.60106.1T379K377-T379 PolarHBondContact O-N 2.83Å; K377-T379 PolarHBondContact O-OG1 3.26Å
378I43.5Very low49.3Very low64 Ų64100.4 Ų100.433%0.32851%0.514SS..  trans-62.383.6166.4-58.1175.5000105I79 I376 S380I79-I378 HydrophobicContact CG2-CD1 4.28Å; I376-I378 VanDerWaalsContact C-N 3.29Å; I376-I378 PolarHBondContact O-N 3.31Å; I378-S380 PolarHBondContact O-N 2.83Å
379T34.8Very low52.2Low120 Ų120100.1 Ų100.174%0.73650%0.503SS*.  trans-75.8-6.2-173.6-53.20000109.7K377 T381K377-T379 PolarHBondContact O-N 2.83Å; K377-T379 PolarHBondContact O-OG1 3.26Å; T379-T381 PolarHBondContact O-N 2.76Å
380S38.8Very low55.2Low31 Ų3191.3 Ų91.322%0.21746%0.462CS..  trans-88.477.5169.659.30000110.7R43 I378 Q382R43-S380 PolarHBondContact NH2-O 2.69Å; I378-S380 PolarHBondContact O-N 2.83Å; S380-Q382 PolarHBondContact O-N 2.85Å
381T40.4Very low57.9Low132 Ų13284.1 Ų84.181%0.8143%0.434SS*.  trans-68.143139.947.70000109.8T379 R383T379-T381 PolarHBondContact O-N 2.76Å; T381-R383 VanDerWaalsContact C-N 3.27Å; T381-R383 PolarHBondContact O-N 2.76Å
382Q52.8Low60.9Low119 Ų11977.6 Ų77.656%0.55640%0.403SS*.  trans-69.6100.8162.2-72.1-172.1400104.4S380 L384S380-Q382 PolarHBondContact O-N 2.85Å; Q382-L384 PolarHBondContact O-N 2.98Å
383R61Low63.5Low146 Ų14677 Ų7755%0.55139%0.392SS*.  trans-48.4139.6177.1-60.2176.9-166.2170.44.2108.3R36 T381 L385R36-R383 PolarHBondContact NH2-O 2.86Å; R36-R383 VanDerWaalsContact NH2-O 3.13Å; T381-R383 VanDerWaalsContact C-N 3.27Å; T381-R383 PolarHBondContact O-N 2.76Å; R383-L385 HydrophobicContact CB-CD1 3.51Å; R383-L385 HydrophobicContact CB-CD2 4.44Å; R383-L385 HydrophobicContact CB-CG 3.54Å; R383-L385 HydrophobicContact CG-CD1 4.32Å; R383-L385 PolarHBondContact O-N 2.78Å
384L72Confident66Low39 Ų3972.9 Ų72.920%0.20437%0.37CS..  trans-75.761.1-179.2-69.3173000109.3E40 R300 T301 Q382E40-L384 HydrophobicContact CB-CD2 4.12Å; E40-L384 HydrophobicContact CG-CD2 4.34Å; R300-L384 WeakPolarHBondContact CB-O 3.27Å; T301-L384 HydrophobicContact CG2-CB 4.11Å; T301-L384 HydrophobicContact CG2-CD2 3.64Å; Q382-L384 PolarHBondContact O-N 2.98Å
385L77.5Confident68.6Low35 Ų3568.9 Ų68.918%0.18335%0.348CS..PPolyproline II helixtrans-100.1142.7-174.9-63.8169.7000110.5R36 L353 E356 R383R36-L385 PolarHBondContact NH1-O 3.05Å; R36-L385 PolarHBondContact NH2-O 2.84Å; L353-L385 HydrophobicContact CB-CD2 4Å; L353-L385 HydrophobicContact CD1-CD1 3.46Å; L353-L385 VanDerWaalsContact CD1-CD1 3.46Å; L353-L385 HydrophobicContact CD1-CD2 3.52Å; L353-L385 HydrophobicContact CD1-CG 4.13Å; L353-L385 HydrophobicContact CG-CD2 4.38Å; E356-L385 HydrophobicContact CG-CD2 4.48Å; E356-L385 VanDerWaalsContact OE2-CD2 3.26Å; E356-L385 WeakPolarHBondContact OE2-CD2 3.42Å; R383-L385 HydrophobicContact CB-CD1 3.51Å; R383-L385 HydrophobicContact CB-CD2 4.44Å; R383-L385 HydrophobicContact CB-CG 3.54Å; R383-L385 HydrophobicContact CG-CD1 4.32Å; R383-L385 PolarHBondContact O-N 2.78Å
386P79.3Confident70.9Confident13 Ų1361.3 Ų61.38%0.08431%0.307CS..PPolyproline II helixtrans-61.1143.8170.326.2-33000109.7R300 P304 A352R300-P386 WeakPolarHBondContact O-CA 3.46Å; R300-P386 WeakPolarHBondContact O-CB 3.46Å; R300-P386 WeakPolarHBondContact O-CD 3.38Å; P304-P386 HydrophobicContact CG-CB 4.36Å; A352-P386 HydrophobicContact CB-CG 4.18Å
387P83.5Confident73.2Confident12 Ų1258.8 Ų58.88%0.07829%0.294CS..PPolyproline II helixtrans-55.7147.2169-2533.3000112.6T301 R303T301-P387 VanDerWaalsContact O-CD 3.28Å; T301-P387 WeakPolarHBondContact O-CD 3.39Å; R303-P387 HydrophobicContact CB-CG 4.2Å; R303-P387 HydrophobicContact CG-CB 4.37Å; R303-P387 HydrophobicContact CG-CG 4.5Å; R303-P387 VanDerWaalsContact NH1-CB 3.32Å
388V82.1Confident75.5Confident105 Ų10549.9 Ų49.964%0.63626%0.256SS*.SBendtrans-70.6-40.8-173.1-178.80000112.1P390V388-P390 WeakPolarHBondContact O-CD 3.49Å
389E90.6Very high77.2Confident53 Ų5346.9 Ų46.925%0.24824%0.24CC..SBendtrans-87.1114.6-176.8-54.183.8175.800111.3R303 A419R303-E389 VanDerWaalsContact CD-O 3.31Å; R303-E389 WeakPolarHBondContact CD-O 3.37Å; R303-E389 WeakPolarHBondContact CG-O 3.22Å; R303-E389 PolarHBondContact NH1-O 2.82Å; R303-E389 IonicContact NH1-OE2 3.24Å; E389-A419 HydrophobicContact CB-CB 4.33Å
390P93.6Very high79Confident2 Ų241.8 Ų41.81%0.01321%0.212CC..  trans-73.3163.317931.1-37.8000112.7P304 A345 V388 I392 R417 V418 A419P304-P390 HydrophobicContact CB-CB 4.34Å; P304-P390 WeakPolarHBondContact O-CA 3.35Å; A345-P390 HydrophobicContact CB-CB 3.65Å; A345-P390 HydrophobicContact CB-CG 3.72Å; V388-P390 WeakPolarHBondContact O-CD 3.49Å; P390-I392 HydrophobicContact CB-CG1 4.42Å; P390-I392 HydrophobicContact CG-CD1 4.17Å; P390-I392 HydrophobicContact CG-CG1 4.29Å; P390-R417 WeakPolarHBondContact CD-O 3.47Å; P390-V418 WeakPolarHBondContact O-CA 3.34Å; P390-A419 PolarHBondContact O-N 3.38Å
391L94.8Very high80.7Confident4 Ų441.1 Ų41.12%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-88.9133.5160.7-66.4167.9000108.9A269 L272 R303 P304 F305 L306 A419 N420A269-L391 HydrophobicContact CB-CD1 4.31Å; L272-L391 HydrophobicContact CD2-CB 4.41Å; L272-L391 HydrophobicContact CD2-CD1 4.49Å; R303-L391 HydrophobicContact CG-CD1 4.46Å; R303-L391 HydrophobicContact CG-CG 4.21Å; P304-L391 PolarHBondContact O-N 2.92Å; F305-L391 WeakPolarHBondContact CA-O 3.5Å; F305-L391 HydrophobicContact CB-CB 4.07Å; F305-L391 HydrophobicContact CD2-CB 3.65Å; F305-L391 HydrophobicContact CG-CB 4.1Å; L306-L391 PolarHBondContact N-O 2.84Å; L391-A419 HydrophobicContact CD2-CB 3.84Å; L391-A419 HydrophobicContact CG-CB 4.45Å; L391-N420 WeakPolarHBondContact CA-OD1 3.48Å; L391-N420 HydrophobicContact CD2-CB 3.67Å
392I94.9Very high82.5Confident4 Ų435.9 Ų35.92%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-133.1132.9177.7-58.6179.5000109.3L306 I338 E341 I342 P390 V418 N420 L424L306-I392 HydrophobicContact CB-CG1 4.46Å; L306-I392 CarbonylContact O-C 2.95Å; L306-I392 WeakPolarHBondContact O-CA 3.32Å; I338-I392 HydrophobicContact CG1-CG2 4.31Å; I338-I392 HydrophobicContact CG2-CD1 4.32Å; E341-I392 HydrophobicContact CB-CD1 4.18Å; I342-I392 HydrophobicContact CB-CD1 4.47Å; I342-I392 HydrophobicContact CD1-CD1 4.34Å; I342-I392 HydrophobicContact CG1-CD1 3.4Å; I342-I392 VanDerWaalsContact CG1-CD1 3.4Å; P390-I392 HydrophobicContact CB-CG1 4.42Å; P390-I392 HydrophobicContact CG-CD1 4.17Å; P390-I392 HydrophobicContact CG-CG1 4.29Å; I392-V418 HydrophobicContact CD1-CG1 3.99Å; I392-V418 HydrophobicContact CG1-CG1 4.48Å; I392-N420 PolarHBondContact N-OD1 2.97Å; I392-N420 PolarHBondContact O-ND2 2.81Å; I392-L424 HydrophobicContact CB-CD2 3.97Å; I392-L424 WeakPolarHBondContact O-CD2 3.31Å
393R94.7Very high83.9Confident50 Ų5036.8 Ų36.819%0.18918%0.18CC..EExtended strand (participates in β ladder)trans-132.7119.8174.7-174.768.4149.7-172.2-7.8109.8L272 F305 L306 F307 K308 D423 L424 V426L272-R393 HydrophobicContact CB-CB 4.23Å; L272-R393 HydrophobicContact CB-CG 4.06Å; F305-R393 HydrophobicContact CE2-CB 3.76Å; F305-R393 HydrophobicContact CZ-CB 4.15Å; L306-R393 PolarHBondContact O-N 2.84Å; F307-R393 WeakPolarHBondContact CA-O 3.17Å; F307-R393 HydrophobicContact CD2-CB 3.83Å; F307-R393 HydrophobicContact CD2-CG 3.77Å; F307-R393 HydrophobicContact CE2-CB 4.33Å; F307-R393 HydrophobicContact CE2-CG 3.73Å; K308-R393 PolarHBondContact N-O 3.27Å; R393-D423 VanDerWaalsContact CD-O 3.23Å; R393-D423 WeakPolarHBondContact CD-O 3.46Å; R393-D423 PolarHBondContact NH1-O 3.36Å; R393-L424 CarbonylContact C-O 3.59Å; R393-L424 WeakPolarHBondContact CA-O 3.29Å; R393-V426 VanDerWaalsContact NH1-CG2 3.3Å
394L94.1Very high85.1Confident5 Ų531.8 Ų31.83%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-108.9117.5173.7-173.270.6000109.3K308 L310 C334 I338 V396 L424 I425 V426K308-L394 HydrophobicContact CB-CD1 3.85Å; K308-L394 CarbonylContact O-C 3.58Å; K308-L394 WeakPolarHBondContact O-CA 3.41Å; L310-L394 HydrophobicContact CB-CD1 4.05Å; C334-L394 HydrophobicContact CB-CD2 4.04Å; I338-L394 HydrophobicContact CD1-CD2 4.5Å; L394-V396 HydrophobicContact CD2-CG2 3.85Å; L394-V396 HydrophobicContact CG-CG2 3.86Å; L394-L424 PolarHBondContact N-O 3.14Å; L394-I425 HydrophobicContact CB-CG1 4.29Å; L394-I425 HydrophobicContact CD2-CD1 4.35Å; L394-I425 HydrophobicContact CD2-CG1 4.48Å; L394-I425 WeakPolarHBondContact O-CA 3.43Å; L394-V426 PolarHBondContact O-N 3.07Å
395R93.1Very high85.9Confident87 Ų8731.1 Ų31.133%0.32816%0.163SC..EExtended strand (participates in β ladder)trans-98.5111.3174.1179.7169.968.8-179-0.9108.9F307 K308 D309 L310 V426F307-R395 HydrophobicContact CZ-CB 4.13Å; K308-R395 PolarHBondContact O-N 2.82Å; D309-R395 WeakPolarHBondContact CA-O 3.47Å; D309-R395 VanDerWaalsContact CG-NH2 3.27Å; D309-R395 WeakPolarHBondContact OD1-CB 3.33Å; D309-R395 IonicContact OD1-CZ 3.69Å; D309-R395 VanDerWaalsContact OD1-CZ 3.25Å; D309-R395 IonicContact OD1-NE 3.6Å; D309-R395 PolarHBondContact OD1-NE 2.88Å; D309-R395 IonicContact OD1-NH2 3.81Å; D309-R395 PolarHBondContact OD1-NH2 2.83Å; D309-R395 VanDerWaalsContact OD1-NH2 3.09Å; D309-R395 IonicContact OD2-CZ 2.79Å; D309-R395 IonicContact OD2-NE 3.42Å; D309-R395 IonicContact OD2-NH2 3.77Å; D309-R395 PolarHBondContact OD2-NH2 2.91Å; L310-R395 PolarHBondContact N-O 3.5Å; R395-V426 CarbonylContact C-O 3.59Å; R395-V426 WeakPolarHBondContact CA-O 3.41Å
396V91.1Very high86.6Confident0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-103117.6-174.3-179.30000109.7L310 L312 L394 L398 I425 V426 F427 N428L310-V396 HydrophobicContact CB-CG2 4.46Å; L310-V396 HydrophobicContact CD2-CG1 3.9Å; L310-V396 HydrophobicContact CD2-CG2 4.35Å; L310-V396 CarbonylContact O-C 3.58Å; L310-V396 WeakPolarHBondContact O-CA 3.14Å; L312-V396 HydrophobicContact CD1-CG1 3.71Å; L312-V396 HydrophobicContact CD2-CG1 4.04Å; L312-V396 HydrophobicContact CG-CG1 3.68Å; L394-V396 HydrophobicContact CD2-CG2 3.85Å; L394-V396 HydrophobicContact CG-CG2 3.86Å; V396-L398 HydrophobicContact CG1-CD2 4.14Å; V396-I425 HydrophobicContact CG2-CG2 3.92Å; V396-V426 PolarHBondContact N-O 2.91Å; V396-F427 HydrophobicContact CB-CD1 3.9Å; V396-F427 HydrophobicContact CB-CE1 4.18Å; V396-F427 HydrophobicContact CG1-CD1 4.13Å; V396-F427 HydrophobicContact CG1-CE1 4.29Å; V396-F427 HydrophobicContact CG2-CE1 4.46Å; V396-F427 WeakPolarHBondContact O-CA 3.45Å; V396-N428 PolarHBondContact O-N 2.82Å
397D89.6Confident87.1Confident27 Ų2732.9 Ų32.914%0.14418%0.181CC..EExtended strand (participates in β ladder)trans-83.2117.3174.9-17412.6000111.2L310 L312 S399L310-D397 PolarHBondContact O-N 2.82Å; L312-D397 PolarHBondContact N-O 3.03Å; D397-S399 VanDerWaalsContact CG-OG 3.32Å; D397-S399 WeakPolarHBondContact OD1-CB 3.15Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.86Å; D397-S399 PolarHBondContact OD2-OG 2.84Å
398L83.8Confident87.5Confident0 Ų037.5 Ų37.50%021%0.205CC..  trans-94.46.4179.7-60.2-178.6000113.5L312 V396 G400 G401 F402 F427 N428 R429L312-L398 HydrophobicContact CD1-CD2 3.49Å; L312-L398 VanDerWaalsContact CD1-CD2 3.49Å; V396-L398 HydrophobicContact CG1-CD2 4.14Å; L398-G400 PolarHBondContact O-N 2.88Å; L398-G401 PolarHBondContact O-N 2.94Å; L398-F402 HydrophobicContact CD2-CB 4.21Å; L398-F402 PolarHBondContact O-N 3.06Å; L398-F427 HydrophobicContact CD1-CB 3.65Å; L398-F427 HydrophobicContact CD1-CD1 3.97Å; L398-F427 HydrophobicContact CD1-CG 4.03Å; L398-F427 HydrophobicContact CD2-CD1 3.9Å; L398-F427 HydrophobicContact CG-CB 4.15Å; L398-F427 HydrophobicContact CG-CD1 4.06Å; L398-N428 WeakPolarHBondContact CB-O 3.33Å; L398-N428 PolarHBondContact N-O 2.83Å; L398-R429 HydrophobicContact CB-CG 3.9Å; L398-R429 HydrophobicContact CD1-CG 4.09Å
399S78.5Confident88Confident0 Ų041.4 Ų41.40%021%0.208CC..THydrogen-bonded Turntrans-52.9-21.3-173.6-68.20000115.4D397 G401 N430D397-S399 VanDerWaalsContact CG-OG 3.32Å; D397-S399 WeakPolarHBondContact OD1-CB 3.15Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.86Å; D397-S399 PolarHBondContact OD2-OG 2.84Å; S399-G401 PolarHBondContact O-N 2.88Å; S399-N430 VanDerWaalsContact OG-CB 3.31Å; S399-N430 WeakPolarHBondContact OG-CB 3.49Å; S399-N430 PolarHBondContact OG-N 2.97Å
400G71.9Confident88.1Confident14 Ų1439 Ų3914%0.14420%0.197CC..THydrogen-bonded Turntrans-72.32.5173.900000115.5L398 R441L398-G400 PolarHBondContact O-N 2.88Å; G400-R441 PolarHBondContact O-NH2 3.01Å
401G74.7Confident88Confident17 Ų1738.9 Ų38.918%0.17520%0.197CC..THydrogen-bonded Turntrans77.531.7-176.500000113.2L398 S399 R441L398-G401 PolarHBondContact O-N 2.94Å; S399-G401 PolarHBondContact O-N 2.88Å; G401-R441 PolarHBondContact O-NH1 2.58Å; G401-R441 PolarHBondContact O-NH2 2.97Å
402F78.6Confident88Confident21 Ų2145.4 Ų45.49%0.09223%0.227CC..PPolyproline II helixtrans-78.7149.2174.9-61.7-78.4000110.9L312 Q313 V316 V326 I330 L398L312-F402 HydrophobicContact CB-CD2 3.61Å; L312-F402 HydrophobicContact CB-CE2 3.55Å; L312-F402 HydrophobicContact CB-CG 4.33Å; L312-F402 HydrophobicContact CB-CZ 4.22Å; L312-F402 HydrophobicContact CD1-CB 3.78Å; L312-F402 HydrophobicContact CD1-CD2 3.73Å; L312-F402 HydrophobicContact CD1-CE2 4.49Å; L312-F402 HydrophobicContact CD1-CG 3.81Å; L312-F402 HydrophobicContact CG-CD2 4.35Å; Q313-F402 HydrophobicContact CG-CE2 4.15Å; V316-F402 HydrophobicContact CB-CE1 4.25Å; V316-F402 HydrophobicContact CB-CZ 4.05Å; V316-F402 HydrophobicContact CG1-CE1 3.89Å; V316-F402 HydrophobicContact CG1-CZ 4.11Å; V326-F402 HydrophobicContact CG1-CD1 4.02Å; I330-F402 HydrophobicContact CD1-CB 4.09Å; I330-F402 HydrophobicContact CD1-CD1 4.06Å; I330-F402 HydrophobicContact CD1-CG 4.32Å; L398-F402 HydrophobicContact CD2-CB 4.21Å; L398-F402 PolarHBondContact O-N 3.06Å
403E81.8Confident87.9Confident138 Ų13849.8 Ų49.865%0.64525%0.246SC*.PPolyproline II helixtrans-81.5138.6173.8-171.1175.6-172.400110.9V327V327-E403 HydrophobicContact CG2-CB 4.01Å; V327-E403 HydrophobicContact CG2-CG 4.31Å
404S86.9Confident87.8Confident41 Ų4147.6 Ų47.629%0.28724%0.238SC..PPolyproline II helixtrans-84149.117549.50000111.7R429S404-R429 PolarHBondContact OG-NH2 2.69Å
405F89.4Confident87.7Confident25 Ų2552 Ų5211%0.1126%0.264CS..PPolyproline II helixtrans-103.7170.9167.157.3-89.7000111.4V327 I330 C334 G407 F410 I425 F427V327-F405 HydrophobicContact CG1-CB 3.95Å; I330-F405 HydrophobicContact CG2-CD1 4.49Å; I330-F405 HydrophobicContact CG2-CE1 3.91Å; C334-F405 HydrophobicContact CB-CZ 4.35Å; F405-G407 PolarHBondContact O-N 3.01Å; F405-F410 HydrophobicContact CD2-CB 3.98Å; F405-F410 HydrophobicContact CD2-CD2 4.26Å; F405-F410 HydrophobicContact CD2-CG 4.37Å; F405-F410 HydrophobicContact CE2-CB 3.6Å; F405-F410 HydrophobicContact CE2-CD1 4.45Å; F405-F410 AromaticContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CD2 3.48Å; F405-F410 VanDerWaalsContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CE2 4.26Å; F405-F410 AromaticContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CZ-CD2 4.03Å; F405-F410 HydrophobicContact CZ-CE2 4.39Å; F405-F410 HydrophobicContact CZ-CG 4.39Å; F405-I425 HydrophobicContact CE2-CD1 3.86Å; F405-I425 HydrophobicContact CZ-CD1 3.69Å; F405-F427 HydrophobicContact CD1-CE1 4.32Å; F405-F427 AromaticContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD2-CZ 4.1Å; F405-F427 AromaticContact CE1-CE1 3.92Å; F405-F427 HydrophobicContact CE1-CE1 3.92Å; F405-F427 AromaticContact CE1-CZ 3.76Å; F405-F427 HydrophobicContact CE1-CZ 3.76Å; F405-F427 AromaticContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CG-CZ 4.14Å; F405-F427 HydrophobicContact CZ-CE1 4.18Å; F405-F427 AromaticContact CZ-CZ 3.74Å; F405-F427 HydrophobicContact CZ-CZ 3.74Å; F405-F427 WeakPolarHBondContact O-CE2 3.42Å
406S91.3Very high87.6Confident68 Ų6850.6 Ų50.648%0.47628%0.277SS..  trans-71.4110.2177.21790000111L408 R409 F410S406-L408 PolarHBondContact O-N 3.21Å; S406-R409 PolarHBondContact O-N 3.37Å; S406-R409 PolarHBondContact OG-N 3.19Å; S406-F410 PolarHBondContact O-N 3Å
407G91.1Very high87.6Confident17 Ų1755.2 Ų55.218%0.17529%0.294CS..Hα-helixtrans-59.3-34.8175.200000113F405 F410 G411F405-G407 PolarHBondContact O-N 3.01Å; G407-F410 WeakPolarHBondContact O-CB 3.37Å; G407-F410 PolarHBondContact O-N 3.22Å; G407-G411 PolarHBondContact O-N 2.89Å
408L91.2Very high87.8Confident110 Ų11054 Ų5458%0.57629%0.288SS*.Hα-helixtrans-64.8-45.7176.6-69.7172.7000112.3S406 F410 G411 Q412 K422S406-L408 PolarHBondContact O-N 3.21Å; L408-F410 VanDerWaalsContact C-N 3.31Å; L408-F410 PolarHBondContact O-N 3.15Å; L408-G411 PolarHBondContact O-N 2.77Å; L408-Q412 PolarHBondContact O-N 3.09Å; L408-K422 HydrophobicContact CD2-CB 4.21Å; L408-K422 HydrophobicContact CD2-CG 4.47Å
409R92.5Very high88.3Confident187 Ų18754.2 Ų54.271%0.70629%0.289SS*.Hα-helixtrans-64.8-39.3177.5-175.5179.7178.6-179.50111.2S406 Q412S406-R409 PolarHBondContact O-N 3.37Å; S406-R409 PolarHBondContact OG-N 3.19Å; R409-Q412 PolarHBondContact O-N 3.12Å
410F92.6Very high89Confident1 Ų154.5 Ų54.50%0.00429%0.291CS..Hα-helixtrans-62.1-44.7175.8-178-86000111.5E331 C334 D335 I338 F405 S406 G407 L408 Q412 K413 F414 I425E331-F410 HydrophobicContact CG-CD2 3.71Å; E331-F410 HydrophobicContact CG-CE2 3.9Å; C334-F410 HydrophobicContact CB-CE2 3.86Å; C334-F410 HydrophobicContact CB-CZ 3.75Å; D335-F410 WeakPolarHBondContact OD1-CE2 3.5Å; D335-F410 WeakPolarHBondContact OD1-CZ 3.27Å; I338-F410 HydrophobicContact CD1-CD1 4.5Å; I338-F410 HydrophobicContact CD1-CE1 3.36Å; I338-F410 HydrophobicContact CD1-CZ 3.77Å; F405-F410 HydrophobicContact CD2-CB 3.98Å; F405-F410 HydrophobicContact CD2-CD2 4.26Å; F405-F410 HydrophobicContact CD2-CG 4.37Å; F405-F410 HydrophobicContact CE2-CB 3.6Å; F405-F410 HydrophobicContact CE2-CD1 4.45Å; F405-F410 AromaticContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CD2 3.48Å; F405-F410 VanDerWaalsContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CE2 4.26Å; F405-F410 AromaticContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CZ-CD2 4.03Å; F405-F410 HydrophobicContact CZ-CE2 4.39Å; F405-F410 HydrophobicContact CZ-CG 4.39Å; S406-F410 PolarHBondContact O-N 3Å; G407-F410 WeakPolarHBondContact O-CB 3.37Å; G407-F410 PolarHBondContact O-N 3.22Å; L408-F410 VanDerWaalsContact C-N 3.31Å; L408-F410 PolarHBondContact O-N 3.15Å; F410-Q412 VanDerWaalsContact C-N 3.27Å; F410-Q412 PolarHBondContact O-N 3.1Å; F410-K413 WeakPolarHBondContact O-CB 3.38Å; F410-K413 PolarHBondContact O-N 3.42Å; F410-F414 HydrophobicContact CD1-CD2 4.45Å; F410-F414 HydrophobicContact CD1-CE2 4.1Å; F410-F414 HydrophobicContact CE1-CD2 4.04Å; F410-F414 AromaticContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CZ 4.3Å; F410-F414 HydrophobicContact CE2-CE2 4.48Å; F410-F414 AromaticContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CZ 4.21Å; F410-I425 HydrophobicContact CD1-CD1 3.4Å; F410-I425 VanDerWaalsContact CD1-CD1 3.4Å; F410-I425 HydrophobicContact CD1-CG1 4.08Å; F410-I425 HydrophobicContact CD2-CD1 4.35Å; F410-I425 HydrophobicContact CE1-CD1 3.42Å; F410-I425 VanDerWaalsContact CE1-CD1 3.42Å; F410-I425 HydrophobicContact CE1-CG1 4.17Å; F410-I425 HydrophobicContact CE2-CD1 4.3Å; F410-I425 HydrophobicContact CG-CD1 3.91Å; F410-I425 HydrophobicContact CZ-CD1 3.87Å
411G92.4Very high90Very high1 Ų155.4 Ų55.41%0.0129%0.294CS..Hα-helixtrans-60.7-29.1178.800000115.5G407 L408 K413 F414 P421G407-G411 PolarHBondContact O-N 2.89Å; L408-G411 PolarHBondContact O-N 2.77Å; G411-K413 PolarHBondContact O-N 3.35Å; G411-F414 PolarHBondContact O-N 3.35Å; G411-P421 WeakPolarHBondContact CA-O 3.28Å
412Q93Very high90.9Very high141 Ų14162.1 Ų62.166%0.65932%0.319SS*.G310 helixtrans-58.5-29.6177-72.6175.2-15.100113.1L408 R409 F410 F414 V415L408-Q412 PolarHBondContact O-N 3.09Å; R409-Q412 PolarHBondContact O-N 3.12Å; F410-Q412 VanDerWaalsContact C-N 3.27Å; F410-Q412 PolarHBondContact O-N 3.1Å; Q412-F414 PolarHBondContact O-N 3.34Å; Q412-V415 WeakPolarHBondContact O-CG2 3.29Å
413K93Very high91.5Very high96 Ų9665.1 Ų65.142%0.41734%0.336SS..G310 helixtrans-65.2-23.1177.9-61.5-179.8-173.8167.80113.4E331 D335 F410 G411E331-K413 WeakPolarHBondContact OE1-CE 3.38Å; E331-K413 IonicContact OE1-NZ 3.26Å; E331-K413 PolarHBondContact OE1-NZ 3.34Å; D335-K413 IonicContact OD1-NZ 2.69Å; D335-K413 PolarHBondContact OD1-NZ 2.92Å; D335-K413 IonicContact OD2-NZ 3.81Å; D335-K413 PolarHBondContact OD2-NZ 3.11Å; F410-K413 WeakPolarHBondContact O-CB 3.38Å; F410-K413 PolarHBondContact O-N 3.42Å; G411-K413 PolarHBondContact O-N 3.35Å
414F93.3Very high92Very high4 Ų458.6 Ų58.62%0.01831%0.305CS..G310 helixtrans-109.17.3-172.6-59.7-80.1000113.3I338 E339 I342 F410 G411 Q412 G416 R417 V418 L424I338-F414 HydrophobicContact CB-CE1 4.32Å; I338-F414 HydrophobicContact CB-CZ 4.18Å; I338-F414 HydrophobicContact CG2-CD1 3.84Å; I338-F414 HydrophobicContact CG2-CD2 4.42Å; I338-F414 HydrophobicContact CG2-CE1 3.6Å; I338-F414 HydrophobicContact CG2-CE2 4.23Å; I338-F414 HydrophobicContact CG2-CG 4.25Å; I338-F414 HydrophobicContact CG2-CZ 3.81Å; E339-F414 HydrophobicContact CG-CE1 4.16Å; I342-F414 HydrophobicContact CD1-CD1 3.68Å; I342-F414 HydrophobicContact CD1-CE1 4.12Å; F410-F414 HydrophobicContact CD1-CD2 4.45Å; F410-F414 HydrophobicContact CD1-CE2 4.1Å; F410-F414 HydrophobicContact CE1-CD2 4.04Å; F410-F414 AromaticContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CZ 4.3Å; F410-F414 HydrophobicContact CE2-CE2 4.48Å; F410-F414 AromaticContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CZ 4.21Å; G411-F414 PolarHBondContact O-N 3.35Å; Q412-F414 PolarHBondContact O-N 3.34Å; F414-G416 PolarHBondContact O-N 3.35Å; F414-R417 WeakPolarHBondContact O-CB 3.17Å; F414-R417 PolarHBondContact O-N 3.21Å; F414-V418 HydrophobicContact CB-CG1 4.29Å; F414-V418 HydrophobicContact CB-CG2 3.91Å; F414-V418 WeakPolarHBondContact O-CG2 3.43Å; F414-V418 PolarHBondContact O-N 3.07Å; F414-L424 HydrophobicContact CB-CD1 3.93Å; F414-L424 HydrophobicContact CD2-CD1 3.71Å; F414-L424 HydrophobicContact CG-CD1 4.06Å
415V92.1Very high92.3Very high97 Ų9757.4 Ų57.459%0.58830%0.295SS*.BIsolated β-bridgetrans-58.2130176.1175.60000110Q412 R417 P421Q412-V415 WeakPolarHBondContact O-CG2 3.29Å; V415-R417 VanDerWaalsContact C-N 3.29Å; V415-P421 HydrophobicContact CG2-CB 3.93Å; V415-P421 HydrophobicContact CG2-CG 4.32Å
416G90.3Very high92.5Very high57 Ų5758.5 Ų58.559%0.58830%0.304SS*.THydrogen-bonded Turntrans83.1-2.7-175.200000114.8F414F414-G416 PolarHBondContact O-N 3.35Å
417R91.6Very high92.4Very high98 Ų9857.9 Ų57.937%0.3729%0.293SS..THydrogen-bonded Turntrans-111.5-22.6172.6-62178.164.3-1700.5113.2E339 I342 P390 F414 V415E339-R417 IonicContact OE1-NH1 3.94Å; I342-R417 HydrophobicContact CD1-CB 4.3Å; P390-R417 WeakPolarHBondContact CD-O 3.47Å; F414-R417 WeakPolarHBondContact O-CB 3.17Å; F414-R417 PolarHBondContact O-N 3.21Å; V415-R417 VanDerWaalsContact C-N 3.29Å
418V93.8Very high92.3Very high1 Ų160.8 Ų60.81%0.00631%0.305CS..BIsolated β-bridgetrans-131.3151-179.3-58.60000109.9I342 P390 I392 F414 P421 L424I342-V418 HydrophobicContact CD1-CG1 3.9Å; I342-V418 HydrophobicContact CG1-CG1 4.07Å; P390-V418 WeakPolarHBondContact O-CA 3.34Å; I392-V418 HydrophobicContact CD1-CG1 3.99Å; I392-V418 HydrophobicContact CG1-CG1 4.48Å; F414-V418 HydrophobicContact CB-CG1 4.29Å; F414-V418 HydrophobicContact CB-CG2 3.91Å; F414-V418 WeakPolarHBondContact O-CG2 3.43Å; F414-V418 PolarHBondContact O-N 3.07Å; V418-P421 HydrophobicContact CG2-CB 4.12Å; V418-L424 HydrophobicContact CB-CD2 4.29Å; V418-L424 HydrophobicContact CG1-CD2 4.33Å; V418-L424 HydrophobicContact CG2-CD1 4.21Å; V418-L424 HydrophobicContact CG2-CD2 3.95Å; V418-L424 HydrophobicContact CG2-CG 4.39Å
419A94.1Very high91.8Very high4 Ų462 Ų623%0.03330%0.301CS..SBendtrans-80.8-19.4179.600000113.4R30 E389 P390 L391 P421R30-A419 HydrophobicContact CG-CB 4.04Å; E389-A419 HydrophobicContact CB-CB 4.33Å; P390-A419 PolarHBondContact O-N 3.38Å; L391-A419 HydrophobicContact CD2-CB 3.84Å; L391-A419 HydrophobicContact CG-CB 4.45Å; A419-P421 VanDerWaalsContact C-CD 3.43Å; A419-P421 WeakPolarHBondContact O-CD 3.32Å
420N94.4Very high91.1Very high7 Ų755.7 Ų55.74%0.03728%0.282CS..  trans-123.558.4-176.765.4-42.7000113.6L272 L391 I392 K422 D423 L424L272-N420 WeakPolarHBondContact CD1-ND2 3.26Å; L391-N420 WeakPolarHBondContact CA-OD1 3.48Å; L391-N420 HydrophobicContact CD2-CB 3.67Å; I392-N420 PolarHBondContact N-OD1 2.97Å; I392-N420 PolarHBondContact O-ND2 2.81Å; N420-K422 PolarHBondContact O-N 3.16Å; N420-K422 VanDerWaalsContact O-N 3.12Å; N420-D423 PolarHBondContact O-N 2.92Å; N420-D423 VanDerWaalsContact O-N 3.11Å; N420-L424 PolarHBondContact O-N 2.79Å
421P92.7Very high90Very high32 Ų3266.1 Ų66.121%0.20832%0.321CS..G310 helixtrans-60.8-28.5-174.925-34.4000113.4G411 V415 V418 A419G411-P421 WeakPolarHBondContact CA-O 3.28Å; V415-P421 HydrophobicContact CG2-CB 3.93Å; V415-P421 HydrophobicContact CG2-CG 4.32Å; V418-P421 HydrophobicContact CG2-CB 4.12Å; A419-P421 VanDerWaalsContact C-CD 3.43Å; A419-P421 WeakPolarHBondContact O-CD 3.32Å
422K92.6Very high88.8Confident158 Ų15869.5 Ų69.569%0.68734%0.337SS*.G310 helixtrans-73.4-26.6-179.6-64.1179.1-178.4174.60113.5L408 N420L408-K422 HydrophobicContact CD2-CB 4.21Å; L408-K422 HydrophobicContact CD2-CG 4.47Å; N420-K422 PolarHBondContact O-N 3.16Å; N420-K422 VanDerWaalsContact O-N 3.12Å
423D92.5Very high87.5Confident85 Ų8567.9 Ų67.946%0.45533%0.328SS..G310 helixtrans-119.825.5-167.6-69.7-54000112.8L272 R393 N420 I425L272-D423 HydrophobicContact CD1-CB 3.81Å; R393-D423 VanDerWaalsContact CD-O 3.23Å; R393-D423 WeakPolarHBondContact CD-O 3.46Å; R393-D423 PolarHBondContact NH1-O 3.36Å; N420-D423 PolarHBondContact O-N 2.92Å; N420-D423 VanDerWaalsContact O-N 3.11Å; D423-I425 PolarHBondContact O-N 2.8Å
424L92.1Very high86.3Confident1 Ų165.1 Ų65.11%0.00532%0.317CS..SBendtrans-64.2-37.9-178.6-73.8-178.6000113.7I392 R393 L394 F414 V418 N420I392-L424 HydrophobicContact CB-CD2 3.97Å; I392-L424 WeakPolarHBondContact O-CD2 3.31Å; R393-L424 CarbonylContact C-O 3.59Å; R393-L424 WeakPolarHBondContact CA-O 3.29Å; L394-L424 PolarHBondContact N-O 3.14Å; F414-L424 HydrophobicContact CB-CD1 3.93Å; F414-L424 HydrophobicContact CD2-CD1 3.71Å; F414-L424 HydrophobicContact CG-CD1 4.06Å; V418-L424 HydrophobicContact CB-CD2 4.29Å; V418-L424 HydrophobicContact CG1-CD2 4.33Å; V418-L424 HydrophobicContact CG2-CD1 4.21Å; V418-L424 HydrophobicContact CG2-CD2 3.95Å; V418-L424 HydrophobicContact CG2-CG 4.39Å; N420-L424 PolarHBondContact O-N 2.79Å
425I93Very high84.9Confident15 Ų1567.4 Ų67.48%0.07734%0.337CS..EExtended strand (participates in β ladder)trans-127.7134.4-170.9-58.5-172.3000111.1C334 I338 L394 V396 F405 F410 D423 F427C334-I425 HydrophobicContact CB-CD1 4.1Å; I338-I425 HydrophobicContact CD1-CD1 4.28Å; I338-I425 HydrophobicContact CD1-CG1 4.34Å; L394-I425 HydrophobicContact CB-CG1 4.29Å; L394-I425 HydrophobicContact CD2-CD1 4.35Å; L394-I425 HydrophobicContact CD2-CG1 4.48Å; L394-I425 WeakPolarHBondContact O-CA 3.43Å; V396-I425 HydrophobicContact CG2-CG2 3.92Å; F405-I425 HydrophobicContact CE2-CD1 3.86Å; F405-I425 HydrophobicContact CZ-CD1 3.69Å; F410-I425 HydrophobicContact CD1-CD1 3.4Å; F410-I425 VanDerWaalsContact CD1-CD1 3.4Å; F410-I425 HydrophobicContact CD1-CG1 4.08Å; F410-I425 HydrophobicContact CD2-CD1 4.35Å; F410-I425 HydrophobicContact CE1-CD1 3.42Å; F410-I425 VanDerWaalsContact CE1-CD1 3.42Å; F410-I425 HydrophobicContact CE1-CG1 4.17Å; F410-I425 HydrophobicContact CE2-CD1 4.3Å; F410-I425 HydrophobicContact CG-CD1 3.91Å; F410-I425 HydrophobicContact CZ-CD1 3.87Å; D423-I425 PolarHBondContact O-N 2.8Å; I425-F427 HydrophobicContact CG2-CD1 4.31Å; I425-F427 HydrophobicContact CG2-CD2 4.48Å; I425-F427 HydrophobicContact CG2-CE1 3.81Å; I425-F427 HydrophobicContact CG2-CE2 3.99Å; I425-F427 HydrophobicContact CG2-CZ 3.64Å
426V92.4Very high83.8Confident49 Ų4965.1 Ų65.130%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-118.5134166174.40000109.6R393 L394 R395 V396R393-V426 VanDerWaalsContact NH1-CG2 3.3Å; L394-V426 PolarHBondContact O-N 3.07Å; R395-V426 CarbonylContact C-O 3.59Å; R395-V426 WeakPolarHBondContact CA-O 3.41Å; V396-V426 PolarHBondContact N-O 2.91Å
427F90.7Very high82.6Confident54 Ų5463.3 Ų63.324%0.23731%0.307CS..EExtended strand (participates in β ladder)trans-96.3120.1171.5-60.9-70000109.8V396 L398 F405 I425V396-F427 HydrophobicContact CB-CD1 3.9Å; V396-F427 HydrophobicContact CB-CE1 4.18Å; V396-F427 HydrophobicContact CG1-CD1 4.13Å; V396-F427 HydrophobicContact CG1-CE1 4.29Å; V396-F427 HydrophobicContact CG2-CE1 4.46Å; V396-F427 WeakPolarHBondContact O-CA 3.45Å; L398-F427 HydrophobicContact CD1-CB 3.65Å; L398-F427 HydrophobicContact CD1-CD1 3.97Å; L398-F427 HydrophobicContact CD1-CG 4.03Å; L398-F427 HydrophobicContact CD2-CD1 3.9Å; L398-F427 HydrophobicContact CG-CB 4.15Å; L398-F427 HydrophobicContact CG-CD1 4.06Å; F405-F427 HydrophobicContact CD1-CE1 4.32Å; F405-F427 AromaticContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD2-CZ 4.1Å; F405-F427 AromaticContact CE1-CE1 3.92Å; F405-F427 HydrophobicContact CE1-CE1 3.92Å; F405-F427 AromaticContact CE1-CZ 3.76Å; F405-F427 HydrophobicContact CE1-CZ 3.76Å; F405-F427 AromaticContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CG-CZ 4.14Å; F405-F427 HydrophobicContact CZ-CE1 4.18Å; F405-F427 AromaticContact CZ-CZ 3.74Å; F405-F427 HydrophobicContact CZ-CZ 3.74Å; F405-F427 WeakPolarHBondContact O-CE2 3.42Å; I425-F427 HydrophobicContact CG2-CD1 4.31Å; I425-F427 HydrophobicContact CG2-CD2 4.48Å; I425-F427 HydrophobicContact CG2-CE1 3.81Å; I425-F427 HydrophobicContact CG2-CE2 3.99Å; I425-F427 HydrophobicContact CG2-CZ 3.64Å
428N87.2Confident81.6Confident79 Ų7963.9 Ų63.942%0.42232%0.315SS..EExtended strand (participates in β ladder)trans-99.9144.5171.2-163.80.5000109.7V396 L398V396-N428 PolarHBondContact O-N 2.82Å; L398-N428 WeakPolarHBondContact CB-O 3.33Å; L398-N428 PolarHBondContact N-O 2.83Å
429R82Confident80.5Confident134 Ų13466.2 Ų66.251%0.50633%0.334SS..  trans-132.3104.8175.9-70.6175.8-175.6179.94.3107.5L398 S404 R431 L434L398-R429 HydrophobicContact CB-CG 3.9Å; L398-R429 HydrophobicContact CD1-CG 4.09Å; S404-R429 PolarHBondContact OG-NH2 2.69Å; R429-R431 PolarHBondContact O-N 2.84Å; R429-L434 HydrophobicContact CG-CD1 4.45Å
430N76.6Confident79.3Confident55 Ų5570.6 Ų70.629%0.29436%0.357SS..  trans-72.1112.4167.4-177.1-35.3000107.8S399 E432 K433 L434S399-N430 VanDerWaalsContact OG-CB 3.31Å; S399-N430 WeakPolarHBondContact OG-CB 3.49Å; S399-N430 PolarHBondContact OG-N 2.97Å; N430-E432 PolarHBondContact O-N 2.81Å; N430-E432 WeakPolarHBondContact OD1-CB 3.41Å; N430-E432 PolarHBondContact OD1-N 3.09Å; N430-K433 HydrophobicContact CB-CB 4.13Å; N430-K433 HydrophobicContact CB-CD 4.24Å; N430-K433 HydrophobicContact CB-CG 4.17Å; N430-K433 PolarHBondContact O-N 3Å; N430-K433 PolarHBondContact OD1-N 2.94Å; N430-L434 VanDerWaalsContact O-CB 3.26Å; N430-L434 WeakPolarHBondContact O-CB 3.1Å; N430-L434 PolarHBondContact O-N 3.25Å
431R70.5Confident77.8Confident220 Ų22074.3 Ų74.383%0.8337%0.37SS*.Hα-helixtrans-56.5-36.6-176.6-79.2-178.1163.6-176.8-4112.5R429 L434 A435R429-R431 PolarHBondContact O-N 2.84Å; R431-L434 PolarHBondContact O-N 2.82Å; R431-A435 WeakPolarHBondContact O-CB 3.26Å; R431-A435 PolarHBondContact O-N 2.86Å
432E67.6Low76.7Confident73 Ų7375.7 Ų75.734%0.34138%0.384SS..Hα-helixtrans-74.9-45.2-176.8-67149.3170.500111.2N430 L434 A435 A436 V466 G467N430-E432 PolarHBondContact O-N 2.81Å; N430-E432 WeakPolarHBondContact OD1-CB 3.41Å; N430-E432 PolarHBondContact OD1-N 3.09Å; E432-L434 VanDerWaalsContact C-N 3.26Å; E432-L434 PolarHBondContact O-N 3.46Å; E432-A435 PolarHBondContact O-N 2.87Å; E432-A436 WeakPolarHBondContact O-CB 3.19Å; E432-A436 PolarHBondContact O-N 2.84Å; E432-V466 HydrophobicContact CB-CB 4.26Å; E432-V466 HydrophobicContact CB-CG1 3.89Å; E432-V466 HydrophobicContact CG-CB 4.06Å; E432-V466 HydrophobicContact CG-CG1 3.54Å; E432-V466 WeakPolarHBondContact OE2-CB 3.46Å; E432-G467 PolarHBondContact OE1-N 3.48Å
433K66Low75.4Confident107 Ų10773.3 Ų73.347%0.46538%0.378SS..Hα-helixtrans-63.9-35.8174.2-66.5-172.1177.9-175.40111.4N430 A436 A437N430-K433 HydrophobicContact CB-CB 4.13Å; N430-K433 HydrophobicContact CB-CD 4.24Å; N430-K433 HydrophobicContact CB-CG 4.17Å; N430-K433 PolarHBondContact O-N 3Å; N430-K433 PolarHBondContact OD1-N 2.94Å; K433-A436 PolarHBondContact O-N 3.08Å; K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.28Å; K433-A437 PolarHBondContact O-N 2.95Å
434L66.1Low73.9Confident37 Ų3777.5 Ų77.519%0.19439%0.393CS..Hα-helixtrans-68.5-42.4175.9-173.5137.8000111.6R429 N430 R431 E432 A437 Q438R429-L434 HydrophobicContact CG-CD1 4.45Å; N430-L434 VanDerWaalsContact O-CB 3.26Å; N430-L434 WeakPolarHBondContact O-CB 3.1Å; N430-L434 PolarHBondContact O-N 3.25Å; R431-L434 PolarHBondContact O-N 2.82Å; E432-L434 VanDerWaalsContact C-N 3.26Å; E432-L434 PolarHBondContact O-N 3.46Å; L434-A437 PolarHBondContact O-N 2.92Å; L434-Q438 HydrophobicContact CD2-CG 4.34Å; L434-Q438 WeakPolarHBondContact O-CB 3.45Å; L434-Q438 VanDerWaalsContact O-CG 3.26Å; L434-Q438 WeakPolarHBondContact O-CG 3.45Å; L434-Q438 PolarHBondContact O-N 3.47Å
435A65.4Low72.2Confident52 Ų5281.9 Ų81.943%0.4342%0.424SS..Hα-helixtrans-62.1-43.5173.500000111.3R431 E432 Q438 A439R431-A435 WeakPolarHBondContact O-CB 3.26Å; R431-A435 PolarHBondContact O-N 2.86Å; E432-A435 PolarHBondContact O-N 2.87Å; A435-Q438 PolarHBondContact O-N 3.45Å; A435-A439 WeakPolarHBondContact O-CB 3.28Å; A435-A439 PolarHBondContact O-N 3.12Å
436A68.2Low70.2Confident50 Ų5084.1 Ų84.141%0.41345%0.45SS..Hα-helixtrans-62.5-43.5174.600000112.1E432 K433 Q438 A439 N440E432-A436 WeakPolarHBondContact O-CB 3.19Å; E432-A436 PolarHBondContact O-N 2.84Å; K433-A436 PolarHBondContact O-N 3.08Å; A436-Q438 PolarHBondContact O-N 2.84Å; A436-A439 PolarHBondContact O-N 3.35Å; A436-N440 WeakPolarHBondContact O-CB 3.37Å; A436-N440 VanDerWaalsContact O-CG 3.29Å; A436-N440 PolarHBondContact O-N 3.22Å; A436-N440 PolarHBondContact O-ND2 3.41Å
437A66.3Low68.1Low18 Ų1887.6 Ų87.615%0.14947%0.466CS..Hα-helixtrans-64.7-38.717600000112.1K433 L434 R441K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.28Å; K433-A437 PolarHBondContact O-N 2.95Å; L434-A437 PolarHBondContact O-N 2.92Å; A437-R441 VanDerWaalsContact O-CG 3.28Å; A437-R441 WeakPolarHBondContact O-CG 2.88Å; A437-R441 PolarHBondContact O-N 3.46Å
438Q69.5Low65.7Low111 Ų11193.3 Ų93.352%0.51949%0.494SS..Hα-helixtrans-67.4-42.1174.8-75.6177.8-13.200112L434 A435 A436 R441 A442L434-Q438 HydrophobicContact CD2-CG 4.34Å; L434-Q438 WeakPolarHBondContact O-CB 3.45Å; L434-Q438 VanDerWaalsContact O-CG 3.26Å; L434-Q438 WeakPolarHBondContact O-CG 3.45Å; L434-Q438 PolarHBondContact O-N 3.47Å; A435-Q438 PolarHBondContact O-N 3.45Å; A436-Q438 PolarHBondContact O-N 2.84Å; Q438-R441 WeakPolarHBondContact O-CB 3.45Å; Q438-R441 PolarHBondContact O-N 2.86Å; Q438-A442 PolarHBondContact O-N 3.08Å
439A70.2Confident63Low50 Ų5097.1 Ų97.141%0.41351%0.514SS..Hα-helixtrans-61.3-44.6174.700000111.5A435 A436 R441 A442 L443A435-A439 WeakPolarHBondContact O-CB 3.28Å; A435-A439 PolarHBondContact O-N 3.12Å; A436-A439 PolarHBondContact O-N 3.35Å; A439-R441 VanDerWaalsContact C-N 3.29Å; A439-R441 PolarHBondContact O-N 3.37Å; A439-A442 PolarHBondContact O-N 3.06Å; A439-L443 WeakPolarHBondContact O-CG 3.46Å; A439-L443 PolarHBondContact O-N 2.67Å
440N69.2Low60.8Low96 Ų9695.5 Ų95.551%0.51352%0.523SS..Hα-helixtrans-62.3-35.2175.2-74.8-26.4000112.6A436 K444A436-N440 WeakPolarHBondContact O-CB 3.37Å; A436-N440 VanDerWaalsContact O-CG 3.29Å; A436-N440 PolarHBondContact O-N 3.22Å; A436-N440 PolarHBondContact O-ND2 3.41Å; N440-K444 WeakPolarHBondContact O-CG 3.33Å; N440-K444 PolarHBondContact O-N 2.77Å; N440-K444 VanDerWaalsContact O-N 3.09Å
441R64.2Low58.5Low84 Ų8499.4 Ų99.432%0.31755%0.549SS..Hα-helixtrans-68.3-43.5173.8-74.2171.8-172.5-164.6-2.5111.9G400 G401 A437 Q438 A439 L443 K444 S445G400-R441 PolarHBondContact O-NH2 3.01Å; G401-R441 PolarHBondContact O-NH1 2.58Å; G401-R441 PolarHBondContact O-NH2 2.97Å; A437-R441 VanDerWaalsContact O-CG 3.28Å; A437-R441 WeakPolarHBondContact O-CG 2.88Å; A437-R441 PolarHBondContact O-N 3.46Å; Q438-R441 WeakPolarHBondContact O-CB 3.45Å; Q438-R441 PolarHBondContact O-N 2.86Å; A439-R441 VanDerWaalsContact C-N 3.29Å; A439-R441 PolarHBondContact O-N 3.37Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 3.49Å; R441-K444 PolarHBondContact O-N 3.04Å; R441-S445 PolarHBondContact O-N 3.49Å; R441-S445 PolarHBondContact O-OG 2.82Å
442A68.8Low56.8Low61 Ų6196.5 Ų96.550%0.50455%0.549SS..Hα-helixtrans-60.8-43177.500000111.6Q438 A439 S445 G446Q438-A442 PolarHBondContact O-N 3.08Å; A439-A442 PolarHBondContact O-N 3.06Å; A442-S445 WeakPolarHBondContact CA-OG 3.31Å; A442-S445 PolarHBondContact O-N 3.06Å; A442-S445 PolarHBondContact O-OG 3.22Å; A442-G446 PolarHBondContact O-N 3.24Å; A442-G446 VanDerWaalsContact O-N 3.15Å
443L64.9Low55.1Low108 Ų10898.5 Ų98.557%0.56557%0.569SS**Hα-helixtrans-62.3-43.1175.1-71.6165.5000112.1A439 R441 S445 G446 L447A439-L443 WeakPolarHBondContact O-CG 3.46Å; A439-L443 PolarHBondContact O-N 2.67Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 3.49Å; L443-S445 PolarHBondContact O-N 2.96Å; L443-G446 PolarHBondContact O-N 3.37Å; L443-L447 PolarHBondContact O-N 3.16Å
444K60.6Low53.3Low174 Ų17498 Ų9876%0.75758%0.579SS**Hα-helixtrans-68.4-30.7176.8-76.5-177.4179.5-176.20113.8N440 R441N440-K444 WeakPolarHBondContact O-CG 3.33Å; N440-K444 PolarHBondContact O-N 2.77Å; N440-K444 VanDerWaalsContact O-N 3.09Å; R441-K444 PolarHBondContact O-N 3.04Å
445S57Low51.8Low93 Ų93103.4 Ų103.465%0.6561%0.608SS**Hα-helixtrans-77.7-20.3174.954.50000114R441 A442 L443R441-S445 PolarHBondContact O-N 3.49Å; R441-S445 PolarHBondContact O-OG 2.82Å; A442-S445 WeakPolarHBondContact CA-OG 3.31Å; A442-S445 PolarHBondContact O-N 3.06Å; A442-S445 PolarHBondContact O-OG 3.22Å; L443-S445 PolarHBondContact O-N 2.96Å
446G50Low50.3Low61 Ų61107 Ų10763%0.62963%0.627SS**Hα-helixtrans-92.6-19.1-179.200000115.7A442 L443A442-G446 PolarHBondContact O-N 3.24Å; A442-G446 VanDerWaalsContact O-N 3.15Å; L443-G446 PolarHBondContact O-N 3.37Å
447L48.9Very low48.6Very low123 Ų123112.1 Ų112.164%0.64465%0.648SS**  trans-10573.8-179.5-90.177.8000111.4L443L443-L447 PolarHBondContact O-N 3.16Å
448Q40.1Very low47.1Very low174 Ų174120.5 Ų120.581%0.81368%0.684SS**  trans-1016.3165.2-77.5-169.8-5.800113.8
449N32.1Very low45.4Very low159 Ų159123.1 Ų123.185%0.8570%0.698SS**SBendtrans-141.473.7179.8-79.1-26.6000112.5
450S33.9Very low43.6Very low100 Ų100130.4 Ų130.470%0.69972%0.723SS**  trans177.1110.2146.155.50000110.8
451T29.1Very low42.2Very low137 Ų137131.2 Ų131.284%0.8473%0.731SS**  trans-54.3127.4159.8-47.40000109.8
452I35.1Very low40.8Very low159 Ų159134 Ų13482%0.81575%0.748SS**  trans-179.8126.4143.8-87.6146.7000110.5
453C31Very low39.4Very low115 Ų115137 Ų13778%0.77777%0.766SS**  trans52.2110.3154.4-71.60000123.4
454S29.6Very low38.4Very low96 Ų96139.1 Ų139.167%0.67177%0.77SS**  trans-22.5125.213743.90000118
455D34.6Very low37.6Very low151 Ų151140.5 Ų140.581%0.80778%0.776SS**  165.9114.4116.1-80.4-21.9000109.3
456P33.5Very low37Very low126 Ų126141 Ų14182%0.81878%0.775SS**  trans-121.674.6169.937.2-21000110.2
457D31Very low37Very low158 Ų158139.9 Ų139.985%0.84576%0.764SS**  trans-119141.5158-80.3-35.6000106.8
458E35.2Very low37.2Very low194 Ų194138.8 Ų138.891%0.90776%0.758SS**  trans92.279-178-51.6-171.4179.400117.2
459M34.7Very low38Very low166 Ų166135.4 Ų135.482%0.81875%0.746SS**  trans-158.993.4140.5-116.7178.471.300110.4V461M459-V461 HydrophobicContact CE-CG2 3.87Å; M459-V461 PolarHBondContact O-N 3.19Å
460E32.4Very low39.2Very low203 Ų203131 Ų13195%0.94973%0.728SS**  trans-62.7112.1160.9-75.7-177.3149.500108.5
461V40.1Very low40.5Very low113 Ų113129.2 Ų129.269%0.68572%0.718SS**  trans-101100.9172.3-178.50000107.7M459 S463M459-V461 HydrophobicContact CE-CG2 3.87Å; M459-V461 PolarHBondContact O-N 3.19Å; V461-S463 PolarHBondContact O-N 3.44Å
462E35.1Very low42.2Very low142 Ų142126.9 Ų126.966%0.66470%0.698SS**  trans-49122.2163.4-80-173.4156.600109.5K464E462-K464 VanDerWaalsContact C-N 3.29Å; E462-K464 PolarHBondContact O-N 3.39Å; E462-K464 IonicContact OE2-NZ 2.79Å; E462-K464 PolarHBondContact OE2-NZ 3.41Å
463S37.8Very low43.4Very low126 Ų126122.4 Ų122.488%0.88168%0.678SS**  trans-64.182.517446.40000111.3V461V461-S463 PolarHBondContact O-N 3.44Å
464K43.8Very low44.6Very low151 Ų151118.2 Ų118.266%0.65765%0.647SS**  trans-99.4133.8164-78.5171-179.9140.10109E462 V466E462-K464 VanDerWaalsContact C-N 3.29Å; E462-K464 PolarHBondContact O-N 3.39Å; E462-K464 IonicContact OE2-NZ 2.79Å; E462-K464 PolarHBondContact OE2-NZ 3.41Å; K464-V466 PolarHBondContact O-N 2.9Å; K464-V466 VanDerWaalsContact O-N 3.15Å
465K45.3Very low46.3Very low203 Ų203118 Ų11888%0.88364%0.636SS**  trans-39.5116.2176.7-66.4172.1177.2-179.70109.6
466V44.5Very low48Very low103 Ų103116 Ų11662%0.62462%0.624SS**SBendtrans-84.6144.9168.5-178.50000105.8E432 K464E432-V466 HydrophobicContact CB-CB 4.26Å; E432-V466 HydrophobicContact CB-CG1 3.89Å; E432-V466 HydrophobicContact CG-CB 4.06Å; E432-V466 HydrophobicContact CG-CG1 3.54Å; E432-V466 WeakPolarHBondContact OE2-CB 3.46Å; K464-V466 PolarHBondContact O-N 2.9Å; K464-V466 VanDerWaalsContact O-N 3.15Å
467G49.5Very low49.6Very low38 Ų38112 Ų11239%0.39260%0.597SS.*SBendtrans114.176.4-157.200000107.5E432 N469E432-G467 PolarHBondContact OE1-N 3.48Å; G467-N469 PolarHBondContact O-N 2.87Å; G467-N469 VanDerWaalsContact O-N 3.12Å
468L52.1Low51.2Low100 Ų100109.3 Ų109.352%0.52458%0.575SS.*  trans-62.7116.2171.7-68168.8000106.9E472 V473L468-E472 VanDerWaalsContact CA-OE2 3.28Å; L468-E472 WeakPolarHBondContact CA-OE2 3.41Å; L468-E472 HydrophobicContact CB-CB 4.09Å; L468-E472 HydrophobicContact CD2-CB 3.71Å; L468-V473 HydrophobicContact CB-CG2 3.41Å; L468-V473 VanDerWaalsContact CB-CG2 3.41Å; L468-V473 HydrophobicContact CD1-CG2 4.02Å; L468-V473 HydrophobicContact CG-CG2 4.35Å
469N58.1Low52.9Low104 Ų104105.1 Ų105.156%0.55656%0.555SS**  trans-57.5156.5167.9-67.3-46.7000108.8G467 A471 E472 V473G467-N469 PolarHBondContact O-N 2.87Å; G467-N469 VanDerWaalsContact O-N 3.12Å; N469-A471 PolarHBondContact O-N 3.11Å; N469-E472 HydrophobicContact CB-CG 4.25Å; N469-E472 PolarHBondContact N-OE2 3.26Å; N469-E472 WeakPolarHBondContact O-CA 3.43Å; N469-E472 PolarHBondContact O-N 3.21Å; N469-V473 PolarHBondContact O-N 2.82Å
470S57Low54.5Low67 Ų67103.4 Ų103.447%0.46954%0.541SS..Hα-helixtrans-47.1-43.7176.6-163.20000111.1E472 V473 E474S470-E472 PolarHBondContact O-N 3.24Å; S470-V473 PolarHBondContact O-N 3.02Å; S470-E474 WeakPolarHBondContact CB-OE1 3.47Å; S470-E474 WeakPolarHBondContact O-CB 3.42Å; S470-E474 WeakPolarHBondContact O-CG 3.42Å; S470-E474 PolarHBondContact O-N 3.16Å; S470-E474 PolarHBondContact OG-OE1 2.93Å
471A60.9Low56.1Low61 Ų6196.8 Ų96.850%0.50451%0.511SS..Hα-helixtrans-58-36.1174.100000115.5N469 E474 E475N469-A471 PolarHBondContact O-N 3.11Å; A471-E474 VanDerWaalsContact CA-OE2 3.28Å; A471-E474 WeakPolarHBondContact CA-OE2 3.38Å; A471-E475 WeakPolarHBondContact O-CB 3.31Å; A471-E475 PolarHBondContact O-N 2.94Å
472E64.4Low57.3Low88 Ų8893 Ų9341%0.41149%0.487SS..Hα-helixtrans-80.1-35.5-179.8-64.6171.6162.700111.4L468 N469 S470 E474 L476L468-E472 VanDerWaalsContact CA-OE2 3.28Å; L468-E472 WeakPolarHBondContact CA-OE2 3.41Å; L468-E472 HydrophobicContact CB-CB 4.09Å; L468-E472 HydrophobicContact CD2-CB 3.71Å; N469-E472 HydrophobicContact CB-CG 4.25Å; N469-E472 PolarHBondContact N-OE2 3.26Å; N469-E472 WeakPolarHBondContact O-CA 3.43Å; N469-E472 PolarHBondContact O-N 3.21Å; S470-E472 PolarHBondContact O-N 3.24Å; E472-E474 VanDerWaalsContact C-N 3.35Å; E472-L476 WeakPolarHBondContact O-CB 3.32Å; E472-L476 PolarHBondContact O-N 3.18Å
473V60.2Low58.8Low65 Ų6591.1 Ų91.139%0.39448%0.478SS..Hα-helixtrans-63.1-44.6169.1-178.20000110L468 N469 S470 E475 L476 V477L468-V473 HydrophobicContact CB-CG2 3.41Å; L468-V473 VanDerWaalsContact CB-CG2 3.41Å; L468-V473 HydrophobicContact CD1-CG2 4.02Å; L468-V473 HydrophobicContact CG-CG2 4.35Å; N469-V473 PolarHBondContact O-N 2.82Å; S470-V473 PolarHBondContact O-N 3.02Å; V473-E475 PolarHBondContact O-N 3.39Å; V473-L476 PolarHBondContact O-N 3.38Å; V473-V477 HydrophobicContact CG1-CG2 4.39Å; V473-V477 VanDerWaalsContact O-CG2 3.31Å; V473-V477 WeakPolarHBondContact O-CG2 3.48Å; V473-V477 PolarHBondContact O-N 2.87Å
474E57.4Low59.8Low28 Ų2889.4 Ų89.413%0.13146%0.457CS..Hα-helixtrans-59.4-44.5178.7-73.8154.3-161.800112.1S470 A471 E472 V477 R478 T505S470-E474 WeakPolarHBondContact CB-OE1 3.47Å; S470-E474 WeakPolarHBondContact O-CB 3.42Å; S470-E474 WeakPolarHBondContact O-CG 3.42Å; S470-E474 PolarHBondContact O-N 3.16Å; S470-E474 PolarHBondContact OG-OE1 2.93Å; A471-E474 VanDerWaalsContact CA-OE2 3.28Å; A471-E474 WeakPolarHBondContact CA-OE2 3.38Å; E472-E474 VanDerWaalsContact C-N 3.35Å; E474-V477 PolarHBondContact O-N 2.81Å; E474-R478 WeakPolarHBondContact O-CB 2.68Å; E474-R478 PolarHBondContact O-N 3.36Å; E474-T505 HydrophobicContact CB-CG2 4.26Å; E474-T505 WeakPolarHBondContact OE2-CB 3.1Å; E474-T505 VanDerWaalsContact OE2-CG2 3.27Å; E474-T505 WeakPolarHBondContact OE2-CG2 2.94Å
475E64.8Low60.6Low92 Ų9283.8 Ų83.843%0.4344%0.436SS..Hα-helixtrans-67.9-37.3177.1-175.759-164.200111.9A471 V473 R478 H479A471-E475 WeakPolarHBondContact O-CB 3.31Å; A471-E475 PolarHBondContact O-N 2.94Å; V473-E475 PolarHBondContact O-N 3.39Å; E475-R478 PolarHBondContact O-N 3.23Å; E475-R478 IonicContact OE1-CZ 3.31Å; E475-R478 IonicContact OE1-NE 2.68Å; E475-R478 PolarHBondContact OE1-NE 3.47Å; E475-R478 IonicContact OE1-NH2 2.91Å; E475-R478 PolarHBondContact OE1-NH2 2.98Å; E475-R478 IonicContact OE2-CZ 2.66Å; E475-R478 IonicContact OE2-NE 2.78Å; E475-R478 PolarHBondContact OE2-NE 3.43Å; E475-R478 IonicContact OE2-NH2 3.96Å; E475-H479 WeakPolarHBondContact O-CB 3.5Å; E475-H479 PolarHBondContact O-N 2.72Å
476L70.1Confident61.2Low109 Ų10979.7 Ų79.757%0.57142%0.42SS*.Hα-helixtrans-65.8-40.5176.3-151.9111.1000111.6E472 V473 H479 Y480E472-L476 WeakPolarHBondContact O-CB 3.32Å; E472-L476 PolarHBondContact O-N 3.18Å; V473-L476 PolarHBondContact O-N 3.38Å; L476-H479 PolarHBondContact O-N 2.88Å; L476-Y480 WeakPolarHBondContact O-CB 3.33Å; L476-Y480 PolarHBondContact O-N 3.41Å
477V66.8Low61.8Low41 Ų4179.2 Ų79.225%0.24842%0.421CS..Hα-helixtrans-66.9-41.9175.4174.70000110.9V473 E474 H479 Y480 L481 L512V473-V477 HydrophobicContact CG1-CG2 4.39Å; V473-V477 VanDerWaalsContact O-CG2 3.31Å; V473-V477 WeakPolarHBondContact O-CG2 3.48Å; V473-V477 PolarHBondContact O-N 2.87Å; E474-V477 PolarHBondContact O-N 2.81Å; V477-H479 VanDerWaalsContact C-N 3.33Å; V477-H479 PolarHBondContact O-N 3.48Å; V477-Y480 PolarHBondContact O-N 2.66Å; V477-L481 HydrophobicContact CG1-CD1 3.97Å; V477-L481 HydrophobicContact CG1-CG 4.38Å; V477-L481 WeakPolarHBondContact O-CB 3.16Å; V477-L481 WeakPolarHBondContact O-CG 3.39Å; V477-L481 PolarHBondContact O-N 3.46Å; V477-L512 HydrophobicContact CG1-CD1 3.6Å; V477-L512 HydrophobicContact CG1-CD2 4.45Å
478R65.4Low62.1Low102 Ų10285.5 Ų85.539%0.38544%0.438SS..Hα-helixtrans-58.4-46.2174-168.2-17174.574.62.6111E474 E475 L482E474-R478 WeakPolarHBondContact O-CB 2.68Å; E474-R478 PolarHBondContact O-N 3.36Å; E475-R478 PolarHBondContact O-N 3.23Å; E475-R478 IonicContact OE1-CZ 3.31Å; E475-R478 IonicContact OE1-NE 2.68Å; E475-R478 PolarHBondContact OE1-NE 3.47Å; E475-R478 IonicContact OE1-NH2 2.91Å; E475-R478 PolarHBondContact OE1-NH2 2.98Å; E475-R478 IonicContact OE2-CZ 2.66Å; E475-R478 IonicContact OE2-NE 2.78Å; E475-R478 PolarHBondContact OE2-NE 3.43Å; E475-R478 IonicContact OE2-NH2 3.96Å; R478-L482 WeakPolarHBondContact O-CG 3.33Å; R478-L482 PolarHBondContact O-N 2.61Å; R478-L482 VanDerWaalsContact O-N 3.16Å
479H69.8Low61.8Low106 Ų10684.2 Ų84.249%0.49145%0.449SS..Hα-helixtrans-64.3-44177.8-170.5-80000111.9E475 L476 V477 L481 L482 Q483E475-H479 WeakPolarHBondContact O-CB 3.5Å; E475-H479 PolarHBondContact O-N 2.72Å; L476-H479 PolarHBondContact O-N 2.88Å; V477-H479 VanDerWaalsContact C-N 3.33Å; V477-H479 PolarHBondContact O-N 3.48Å; H479-L481 PolarHBondContact O-N 2.95Å; H479-L482 PolarHBondContact O-N 2.8Å; H479-Q483 WeakPolarHBondContact O-CB 3.44Å; H479-Q483 PolarHBondContact O-N 3.11Å
480Y68.1Low61.4Low129 Ų12985.9 Ų85.951%0.50645%0.453SS..Hα-helixtrans-62.9-42.2179-173.2-98.6000112.6L476 V477 L482 Q483 M484L476-Y480 WeakPolarHBondContact O-CB 3.33Å; L476-Y480 PolarHBondContact O-N 3.41Å; V477-Y480 PolarHBondContact O-N 2.66Å; Y480-L482 VanDerWaalsContact C-N 3.34Å; Y480-L482 PolarHBondContact O-N 3.45Å; Y480-Q483 PolarHBondContact O-N 2.66Å; Y480-M484 HydrophobicContact CD1-CG 4.3Å; Y480-M484 HydrophobicContact CD1-SD 4.45Å; Y480-M484 HydrophobicContact CE1-CE 3.77Å; Y480-M484 HydrophobicContact CE1-CG 3.91Å; Y480-M484 HydrophobicContact CE1-SD 3.69Å; Y480-M484 PolarHBondContact O-N 3.16Å; Y480-M484 WeakPolarHBondContact OH-CE 3.37Å
481L65.9Low61Low64 Ų6491.9 Ų91.934%0.33547%0.471SS..Hα-helixtrans-64.3-38.7176.6-72.8171.1000111.8V477 H479 V485V477-L481 HydrophobicContact CG1-CD1 3.97Å; V477-L481 HydrophobicContact CG1-CG 4.38Å; V477-L481 WeakPolarHBondContact O-CB 3.16Å; V477-L481 WeakPolarHBondContact O-CG 3.39Å; V477-L481 PolarHBondContact O-N 3.46Å; H479-L481 PolarHBondContact O-N 2.95Å; L481-V485 WeakPolarHBondContact O-CG2 3.31Å; L481-V485 PolarHBondContact O-N 3.25Å
482L67.3Low60.3Low33 Ų3391.9 Ų91.917%0.17347%0.466CS..Hα-helixtrans-66.5-42.8174.1-70.9170.4000111.8R478 H479 Y480 M484 V485 E486 T497 L500R478-L482 WeakPolarHBondContact O-CG 3.33Å; R478-L482 PolarHBondContact O-N 2.61Å; R478-L482 VanDerWaalsContact O-N 3.16Å; H479-L482 PolarHBondContact O-N 2.8Å; Y480-L482 VanDerWaalsContact C-N 3.34Å; Y480-L482 PolarHBondContact O-N 3.45Å; L482-M484 PolarHBondContact O-N 2.99Å; L482-V485 WeakPolarHBondContact O-CB 3.49Å; L482-V485 PolarHBondContact O-N 3.44Å; L482-E486 PolarHBondContact O-N 3.28Å; L482-T497 HydrophobicContact CD2-CG2 3.92Å; L482-L500 HydrophobicContact CD2-CD1 3.95Å; L482-L500 HydrophobicContact CG-CD1 4.39Å
483Q65.1Low59.6Low103 Ų10390 Ų9048%0.48146%0.463SS..Hα-helixtrans-67.7-33.7179.7-164.6176.41500112.6H479 Y480 V485 E486 S487H479-Q483 WeakPolarHBondContact O-CB 3.44Å; H479-Q483 PolarHBondContact O-N 3.11Å; Y480-Q483 PolarHBondContact O-N 2.66Å; Q483-V485 VanDerWaalsContact C-N 3.3Å; Q483-V485 PolarHBondContact O-N 2.82Å; Q483-E486 PolarHBondContact O-N 3.14Å; Q483-S487 PolarHBondContact O-N 3.2Å
484M60.3Low59.2Low90 Ų9095.1 Ų95.144%0.44348%0.482SS..Hα-helixtrans-64.4-34.4173.2-85.1-151.9149.500112.7Y480 L482 S487 K488Y480-M484 HydrophobicContact CD1-CG 4.3Å; Y480-M484 HydrophobicContact CD1-SD 4.45Å; Y480-M484 HydrophobicContact CE1-CE 3.77Å; Y480-M484 HydrophobicContact CE1-CG 3.91Å; Y480-M484 HydrophobicContact CE1-SD 3.69Å; Y480-M484 PolarHBondContact O-N 3.16Å; Y480-M484 WeakPolarHBondContact OH-CE 3.37Å; L482-M484 PolarHBondContact O-N 2.99Å; M484-S487 WeakPolarHBondContact CA-OG 3.35Å; M484-S487 PolarHBondContact O-N 3.12Å; M484-S487 PolarHBondContact O-OG 2.82Å; M484-K488 PolarHBondContact O-N 3.4Å
485V59.2Low59Low34 Ų34101.4 Ų101.421%0.20651%0.512CS..Hα-helixtrans-66.8-41.4174.9174.80000110.3L481 L482 Q483 S487 K488 L496L481-V485 WeakPolarHBondContact O-CG2 3.31Å; L481-V485 PolarHBondContact O-N 3.25Å; L482-V485 WeakPolarHBondContact O-CB 3.49Å; L482-V485 PolarHBondContact O-N 3.44Å; Q483-V485 VanDerWaalsContact C-N 3.3Å; Q483-V485 PolarHBondContact O-N 2.82Å; V485-S487 PolarHBondContact O-N 3.2Å; V485-K488 PolarHBondContact O-N 2.89Å; V485-L496 HydrophobicContact CG1-CD2 4.1Å; V485-L496 HydrophobicContact CG2-CD2 3.65Å
486E57.6Low58.3Low117 Ų117100.8 Ų100.855%0.54751%0.511SS..Hα-helixtrans-64.3-39.5175.9-66.8178.7166.400112.5L482 Q483 K488 G489L482-E486 PolarHBondContact O-N 3.28Å; Q483-E486 PolarHBondContact O-N 3.14Å; E486-K488 PolarHBondContact O-N 3.05Å; E486-G489 PolarHBondContact O-N 3.04Å; E486-G489 VanDerWaalsContact O-N 3.17Å
487S56.8Low57.5Low93 Ų9398.8 Ų98.865%0.6550%0.503SS*.Hα-helixtrans-67.6-18.3-179.672.20000114.5Q483 M484 V485 G489Q483-S487 PolarHBondContact O-N 3.2Å; M484-S487 WeakPolarHBondContact CA-OG 3.35Å; M484-S487 PolarHBondContact O-N 3.12Å; M484-S487 PolarHBondContact O-OG 2.82Å; V485-S487 PolarHBondContact O-N 3.2Å; S487-G489 VanDerWaalsContact C-N 3.29Å; S487-G489 PolarHBondContact O-N 3.48Å
488K56.1Low56.8Low169 Ų16999.9 Ų99.974%0.73551%0.512SS*.THydrogen-bonded Turntrans-8811.9174.9-73.8-173.9177.9178.60113.8M484 V485 E486 Q490M484-K488 PolarHBondContact O-N 3.4Å; V485-K488 PolarHBondContact O-N 2.89Å; E486-K488 PolarHBondContact O-N 3.05Å; K488-Q490 PolarHBondContact O-N 3.18Å; K488-Q490 VanDerWaalsContact O-N 3.17Å
489G45.7Very low56.5Low74 Ų7496.5 Ų96.576%0.76351%0.509SS*.THydrogen-bonded Turntrans68.712.5174.400000114.3E486 S487E486-G489 PolarHBondContact O-N 3.04Å; E486-G489 VanDerWaalsContact O-N 3.17Å; S487-G489 VanDerWaalsContact C-N 3.29Å; S487-G489 PolarHBondContact O-N 3.48Å
490Q50.9Low56.2Low138 Ų13894 Ų9465%0.64550%0.498SS*.  trans-98.7123171.9-73.3-180-23.800108.1K488K488-Q490 PolarHBondContact O-N 3.18Å; K488-Q490 VanDerWaalsContact O-N 3.17Å
491K47.2Very low55.9Low193 Ų19390.4 Ų90.484%0.83949%0.493SS*.  trans-56.1135.1170-77.6-178.4176.1-179.70108.2S493K491-S493 PolarHBondContact O-N 3Å
492P47.5Very low56.1Low62 Ų6288.9 Ų88.940%0.40348%0.484SS..  trans-59.6109.2173.824.4-31.2000107.6
493S49.1Very low56.3Low49 Ų4989.7 Ų89.734%0.34349%0.487SS..  trans-65.6142.117047.30000108.1K491 E495 L496 T497K491-S493 PolarHBondContact O-N 3Å; S493-E495 PolarHBondContact O-N 3.02Å; S493-L496 PolarHBondContact O-N 3.33Å; S493-T497 PolarHBondContact O-OG1 3.35Å
494E52.8Low56.6Low172 Ų17285.2 Ų85.280%0.80447%0.466SS*.Hα-helixtrans-52.4-24.3174.3-67.4178.1167.500112T497 C498E494-T497 WeakPolarHBondContact CA-OG1 3.27Å; E494-T497 PolarHBondContact O-OG1 2.87Å; E494-C498 WeakPolarHBondContact O-CB 3.01Å; E494-C498 PolarHBondContact O-N 3.29Å
495E51.6Low57Low160 Ų16084 Ų8475%0.74846%0.464SS*.Hα-helixtrans-65.7-37174-62.3177.8171.300113.7S493 G499S493-E495 PolarHBondContact O-N 3.02Å; E495-G499 PolarHBondContact O-N 3.48Å
496L50.9Low57.6Low79 Ų7983.6 Ų83.641%0.41446%0.463SS..Hα-helixtrans-77.5-39.5-179.1-114.4101.2000112.1V485 S493 C498 G499 L500V485-L496 HydrophobicContact CG1-CD2 4.1Å; V485-L496 HydrophobicContact CG2-CD2 3.65Å; S493-L496 PolarHBondContact O-N 3.33Å; L496-C498 VanDerWaalsContact C-N 3.35Å; L496-G499 PolarHBondContact O-N 3.5Å; L496-L500 PolarHBondContact O-N 3.35Å
497T52.8Low58.3Low66 Ų6678.9 Ų78.941%0.40544%0.441SS..Hα-helixtrans-67.6-36.3174.634.10000111.6L482 S493 E494 S501L482-T497 HydrophobicContact CD2-CG2 3.92Å; S493-T497 PolarHBondContact O-OG1 3.35Å; E494-T497 WeakPolarHBondContact CA-OG1 3.27Å; E494-T497 PolarHBondContact O-OG1 2.87Å; T497-S501 PolarHBondContact O-N 3.41Å
498C53Low59.3Low64 Ų6476.3 Ų76.343%0.43242%0.42SS..Hα-helixtrans-73.1-32.5172.1-161.90000112.4E494 L496 L500 S501E494-C498 WeakPolarHBondContact O-CB 3.01Å; E494-C498 PolarHBondContact O-N 3.29Å; L496-C498 VanDerWaalsContact C-N 3.35Å; C498-L500 PolarHBondContact O-N 3.24Å; C498-S501 PolarHBondContact O-N 3.06Å; C498-S501 PolarHBondContact O-OG 2.91Å
499G59.8Low59.9Low31 Ų3171.8 Ų71.832%0.3240%0.401SS..Hα-helixtrans-64-39.4176.900000113.4E495 L496 F503E495-G499 PolarHBondContact O-N 3.48Å; L496-G499 PolarHBondContact O-N 3.5Å; G499-F503 WeakPolarHBondContact O-CD2 3.28Å; G499-F503 WeakPolarHBondContact O-CE2 3.04Å
500L62.3Low61.2Low53 Ų5373.8 Ų73.828%0.27739%0.385SS..Hα-helixtrans-74.8-24.7177.2-73.7162.8000112.9L482 L496 C498 L502 F503L482-L500 HydrophobicContact CD2-CD1 3.95Å; L482-L500 HydrophobicContact CG-CD1 4.39Å; L496-L500 PolarHBondContact O-N 3.35Å; C498-L500 PolarHBondContact O-N 3.24Å; L500-L502 VanDerWaalsContact C-N 3.26Å; L500-L502 PolarHBondContact O-N 3.44Å; L500-F503 PolarHBondContact O-N 3.2Å
501S62.9Low62.3Low55 Ų5567.4 Ų67.439%0.38536%0.357SS..THydrogen-bonded Turntrans-77.4-8.3179.369.80000114.4T497 C498 F503 C557T497-S501 PolarHBondContact O-N 3.41Å; C498-S501 PolarHBondContact O-N 3.06Å; C498-S501 PolarHBondContact O-OG 2.91Å; S501-F503 VanDerWaalsContact C-N 3.34Å; S501-C557 PolarHBondContact O-SG 3.27Å
502L69.7Low63.6Low31 Ų3160.8 Ų60.816%0.16233%0.33CS..THydrogen-bonded Turntrans-75.8-19.6173.8-103.1153.3000113.8L500 A535 I553 R560L500-L502 VanDerWaalsContact C-N 3.26Å; L500-L502 PolarHBondContact O-N 3.44Å; L502-A535 HydrophobicContact CD2-CB 4.11Å; L502-I553 HydrophobicContact CD2-CG2 3.75Å; L502-I553 HydrophobicContact CG-CG2 3.99Å; L502-R560 PolarHBondContact O-NH1 3.21Å
503F70.2Confident65Low51 Ų5165.1 Ų65.122%0.22434%0.339CS..SBendtrans-90.8136.3-179.5-63.6-95.5000110.1G499 L500 S501 L508 I527 I531G499-F503 WeakPolarHBondContact O-CD2 3.28Å; G499-F503 WeakPolarHBondContact O-CE2 3.04Å; L500-F503 PolarHBondContact O-N 3.2Å; S501-F503 VanDerWaalsContact C-N 3.34Å; F503-L508 HydrophobicContact CB-CB 4.5Å; F503-I527 HydrophobicContact CE1-CG2 4.2Å; F503-I531 HydrophobicContact CD1-CD1 3.31Å; F503-I531 HydrophobicContact CE1-CD1 3.51Å; F503-I531 HydrophobicContact CG-CD1 4.31Å
504T72.4Confident66Low8 Ų868 Ų685%0.04934%0.342CS..  trans-73.8156.4162.163.90000109.1S506 E507 L508 R560T504-S506 VanDerWaalsContact C-N 3.3Å; T504-S506 PolarHBondContact O-N 3.06Å; T504-E507 PolarHBondContact N-OE2 3.2Å; T504-E507 PolarHBondContact O-N 3.33Å; T504-E507 WeakPolarHBondContact OG1-CB 3.32Å; T504-E507 VanDerWaalsContact OG1-CD 3.28Å; T504-E507 WeakPolarHBondContact OG1-CG 3.39Å; T504-E507 PolarHBondContact OG1-N 3Å; T504-E507 PolarHBondContact OG1-OE2 2.71Å; T504-L508 PolarHBondContact O-N 3.25Å; T504-R560 HydrophobicContact CG2-CB 3.7Å
505T67.9Low67.2Low65 Ų6565.4 Ų65.440%0.39933%0.326SS..Hα-helixtrans-53.9-46.6178.1430000112.5E474 E507 L508 E509E474-T505 HydrophobicContact CB-CG2 4.26Å; E474-T505 WeakPolarHBondContact OE2-CB 3.1Å; E474-T505 VanDerWaalsContact OE2-CG2 3.27Å; E474-T505 WeakPolarHBondContact OE2-CG2 2.94Å; T505-E507 VanDerWaalsContact C-N 3.27Å; T505-E507 PolarHBondContact O-N 2.96Å; T505-L508 PolarHBondContact O-N 3.27Å; T505-E509 PolarHBondContact O-N 3.45Å
506S72.1Confident68.3Low25 Ų2562.8 Ų62.818%0.17532%0.32CS..Hα-helixtrans-63.7-28.8177.1-39.20000113.5T504 R510T504-S506 VanDerWaalsContact C-N 3.3Å; T504-S506 PolarHBondContact O-N 3.06Å; S506-R510 WeakPolarHBondContact O-CB 3.13Å; S506-R510 PolarHBondContact O-N 2.8Å
507E73.6Confident69.4Low19 Ų1964.4 Ų64.49%0.08933%0.329CS..Hα-helixtrans-79-35.8178.4-75.2173.5166.200112.7T504 T505 R510 G511 I531 R560T504-E507 PolarHBondContact N-OE2 3.2Å; T504-E507 PolarHBondContact O-N 3.33Å; T504-E507 WeakPolarHBondContact OG1-CB 3.32Å; T504-E507 VanDerWaalsContact OG1-CD 3.28Å; T504-E507 WeakPolarHBondContact OG1-CG 3.39Å; T504-E507 PolarHBondContact OG1-N 3Å; T504-E507 PolarHBondContact OG1-OE2 2.71Å; T505-E507 VanDerWaalsContact C-N 3.27Å; T505-E507 PolarHBondContact O-N 2.96Å; E507-R510 PolarHBondContact O-N 3.1Å; E507-G511 PolarHBondContact O-N 3.35Å; E507-I531 HydrophobicContact CB-CD1 4.04Å; E507-I531 HydrophobicContact CG-CD1 4.36Å; E507-I531 WeakPolarHBondContact OE2-CD1 3.46Å; E507-R560 IonicContact OE1-CZ 3.72Å; E507-R560 IonicContact OE1-NE 2.86Å; E507-R560 IonicContact OE1-NH2 2.66Å; E507-R560 PolarHBondContact OE1-NH2 3.03Å; E507-R560 IonicContact OE2-CZ 3.38Å; E507-R560 VanDerWaalsContact OE2-CZ 3.32Å; E507-R560 IonicContact OE2-NH1 3.31Å; E507-R560 IonicContact OE2-NH2 3.71Å; E507-R560 PolarHBondContact OE2-NH2 2.87Å
508L76.6Confident70Confident39 Ų3968.6 Ų68.620%0.20434%0.338CS..Hα-helixtrans-65.2-43.5171.9-172.663.2000110.2F503 T504 T505 G511 L512F503-L508 HydrophobicContact CB-CB 4.5Å; T504-L508 PolarHBondContact O-N 3.25Å; T505-L508 PolarHBondContact O-N 3.27Å; L508-G511 PolarHBondContact O-N 3.44Å; L508-L512 HydrophobicContact CD1-CD1 4.32Å; L508-L512 HydrophobicContact CG-CD1 3.87Å; L508-L512 WeakPolarHBondContact O-CD1 3.37Å; L508-L512 PolarHBondContact O-N 3.16Å
509E68.1Low70.5Confident73 Ų7368.6 Ų68.634%0.34135%0.349SS..Hα-helixtrans-56.5-51.3173.2-169.7-148.1148.700111T505 G511 L512 R513T505-E509 PolarHBondContact O-N 3.45Å; E509-G511 PolarHBondContact O-N 3.33Å; E509-L512 PolarHBondContact O-N 3Å; E509-R513 VanDerWaalsContact O-CB 3.26Å; E509-R513 WeakPolarHBondContact O-CB 3.2Å; E509-R513 PolarHBondContact O-N 2.59Å; E509-R513 IonicContact OE1-NH1 3.24Å; E509-R513 PolarHBondContact OE1-NH1 2.61Å
510R74.3Confident71Confident116 Ų11670.1 Ų70.144%0.43835%0.349SS..Hα-helixtrans-59-33.8179-168.1176.3-69.2129.7-9.7112.2S506 E507 R514S506-R510 WeakPolarHBondContact O-CB 3.13Å; S506-R510 PolarHBondContact O-N 2.8Å; E507-R510 PolarHBondContact O-N 3.1Å; R510-R514 WeakPolarHBondContact O-CG 3.17Å; R510-R514 PolarHBondContact O-N 3.43Å
511G74Confident71.5Confident4 Ų471.5 Ų71.54%0.04136%0.363CS..Hα-helixtrans-73.6-44.9175.400000114.2E507 L508 E509 R514 Y515E507-G511 PolarHBondContact O-N 3.35Å; L508-G511 PolarHBondContact O-N 3.44Å; E509-G511 PolarHBondContact O-N 3.33Å; G511-R514 PolarHBondContact O-N 3.04Å; G511-Y515 WeakPolarHBondContact O-CB 3.48Å; G511-Y515 PolarHBondContact O-N 3.04Å
512L75Confident72Confident54 Ų5472.3 Ų72.328%0.28336%0.363SS..Hα-helixtrans-63.3-43.5175.6-81152.5000111.5V477 L508 E509 R514 Y515 V516V477-L512 HydrophobicContact CG1-CD1 3.6Å; V477-L512 HydrophobicContact CG1-CD2 4.45Å; L508-L512 HydrophobicContact CD1-CD1 4.32Å; L508-L512 HydrophobicContact CG-CD1 3.87Å; L508-L512 WeakPolarHBondContact O-CD1 3.37Å; L508-L512 PolarHBondContact O-N 3.16Å; E509-L512 PolarHBondContact O-N 3Å; L512-R514 PolarHBondContact O-N 3.29Å; L512-Y515 PolarHBondContact O-N 3.28Å; L512-Y515 VanDerWaalsContact O-N 3.12Å; L512-V516 WeakPolarHBondContact O-CB 3.36Å; L512-V516 WeakPolarHBondContact O-CG2 3.49Å; L512-V516 PolarHBondContact O-N 2.96Å
513R75.2Confident72.2Confident154 Ų15471.2 Ų71.258%0.58136%0.358SS*.Hα-helixtrans-61.2-43.3177.8-160.1171-161.5170.30.9111.7E509 Y515 D517E509-R513 VanDerWaalsContact O-CB 3.26Å; E509-R513 WeakPolarHBondContact O-CB 3.2Å; E509-R513 PolarHBondContact O-N 2.59Å; E509-R513 IonicContact OE1-NH1 3.24Å; E509-R513 PolarHBondContact OE1-NH1 2.61Å; R513-Y515 VanDerWaalsContact C-N 3.33Å; R513-Y515 PolarHBondContact O-N 3.47Å; R513-D517 WeakPolarHBondContact CG-OD2 3.44Å; R513-D517 IonicContact NE-OD2 3.4Å; R513-D517 WeakPolarHBondContact O-CB 3.35Å; R513-D517 PolarHBondContact O-N 3.46Å
514R71.5Confident72.3Confident108 Ų10872.5 Ų72.541%0.40837%0.366SS..Hα-helixtrans-67.5-31.7174.6-74.4-177.9179.2-171-0.5113.2R510 G511 L512 R518 A523R510-R514 WeakPolarHBondContact O-CG 3.17Å; R510-R514 PolarHBondContact O-N 3.43Å; G511-R514 PolarHBondContact O-N 3.04Å; L512-R514 PolarHBondContact O-N 3.29Å; R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 3.48Å; R514-A523 HydrophobicContact CB-CB 3.78Å
515Y76.6Confident72.5Confident118 Ų11876.8 Ų76.846%0.46339%0.389SS..Hα-helixtrans-73.1-46.8176.8-177.4-98.5000112G511 L512 R513 G519 I524G511-Y515 WeakPolarHBondContact O-CB 3.48Å; G511-Y515 PolarHBondContact O-N 3.04Å; L512-Y515 PolarHBondContact O-N 3.28Å; L512-Y515 VanDerWaalsContact O-N 3.12Å; R513-Y515 VanDerWaalsContact C-N 3.33Å; R513-Y515 PolarHBondContact O-N 3.47Å; Y515-G519 PolarHBondContact O-N 3.32Å; Y515-I524 HydrophobicContact CD2-CD1 4.04Å; Y515-I524 HydrophobicContact CD2-CG1 4.43Å; Y515-I524 HydrophobicContact CG-CD1 4.14Å
516V76.4Confident72.9Confident105 Ų10579.2 Ų79.264%0.63640%0.396SS*.Hα-helixtrans-75.9-48.8-177.1177.10000111.6L512L512-V516 WeakPolarHBondContact O-CB 3.36Å; L512-V516 WeakPolarHBondContact O-CG2 3.49Å; L512-V516 PolarHBondContact O-N 2.96Å
517D72.5Confident73.2Confident113 Ų11378.9 Ų78.960%0.60439%0.392SS*.Hα-helixtrans-81.2-34-171.6-62.8-16.6000112.6R513R513-D517 WeakPolarHBondContact CG-OD2 3.44Å; R513-D517 IonicContact NE-OD2 3.4Å; R513-D517 WeakPolarHBondContact O-CB 3.35Å; R513-D517 PolarHBondContact O-N 3.46Å
518R67Low73.3Confident155 Ų15579.3 Ų79.359%0.58540%0.397SS*.Hα-helixtrans-104.2-3.9-174.4-57.6-171.7177.6-161.4-3.4114R514 I520 E576R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 3.48Å; R518-I520 HydrophobicContact CB-CD1 3.71Å; R518-I520 HydrophobicContact CB-CG1 3.78Å; R518-I520 WeakPolarHBondContact O-CG1 3.43Å; R518-I520 PolarHBondContact O-N 3.46Å; R518-I520 VanDerWaalsContact O-N 3.12Å; R518-E576 IonicContact NH2-OE1 3.67Å
519G61.7Low73.5Confident64 Ų6480.3 Ų80.366%0.6641%0.407SS*.  trans60.820.2-179.800000114.3Y515 S521Y515-G519 PolarHBondContact O-N 3.32Å; G519-S521 PolarHBondContact O-N 3.49Å
520I71.7Confident74Confident63 Ų6379.2 Ų79.232%0.32341%0.407SS..  trans-85.2101.3-176.8-56171.6000108R518 D522 A523R518-I520 HydrophobicContact CB-CD1 3.71Å; R518-I520 HydrophobicContact CB-CG1 3.78Å; R518-I520 WeakPolarHBondContact O-CG1 3.43Å; R518-I520 PolarHBondContact O-N 3.46Å; R518-I520 VanDerWaalsContact O-N 3.12Å; I520-D522 PolarHBondContact O-N 2.91Å; I520-D522 VanDerWaalsContact O-N 3.11Å; I520-A523 HydrophobicContact CB-CB 4.08Å; I520-A523 HydrophobicContact CG2-CB 4.1Å; I520-A523 WeakPolarHBondContact O-CB 3.29Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.14Å
521S71.9Confident74.3Confident82 Ų8274 Ų7457%0.57339%0.388SS*.THydrogen-bonded Turntrans-55.1-29.5177.857.70000113.2G519G519-S521 PolarHBondContact O-N 3.49Å
522D73.5Confident74.6Confident72 Ų7278 Ų7839%0.38541%0.408SS..THydrogen-bonded Turntrans-94.51.3-174.5-62.5-12.6000113.9I520 I524 N525 H526 Y579I520-D522 PolarHBondContact O-N 2.91Å; I520-D522 VanDerWaalsContact O-N 3.11Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 3.05Å; D522-N525 PolarHBondContact O-N 2.87Å; D522-N525 VanDerWaalsContact O-N 3.16Å; D522-H526 PolarHBondContact O-N 2.75Å; D522-Y579 PolarHBondContact OD2-OH 2.88Å
523A73.3Confident75Confident7 Ų779.6 Ų79.66%0.05842%0.417CS..Hα-helixtrans-60.1-40.9-176.500000112.2R514 I520 H526 I527R514-A523 HydrophobicContact CB-CB 3.78Å; I520-A523 HydrophobicContact CB-CB 4.08Å; I520-A523 HydrophobicContact CG2-CB 4.1Å; I520-A523 WeakPolarHBondContact O-CB 3.29Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.14Å; A523-H526 PolarHBondContact O-N 3.18Å; A523-I527 WeakPolarHBondContact O-CG1 3.42Å; A523-I527 PolarHBondContact O-N 3.37Å; A523-I527 VanDerWaalsContact O-N 3.1Å
524I73.3Confident75.3Confident78 Ų7877 Ų7740%0.441%0.41SS..Hα-helixtrans-66.4-41.4178.6-61.5174.1000110.3Y515 D522 H526 I527 S528Y515-I524 HydrophobicContact CD2-CD1 4.04Å; Y515-I524 HydrophobicContact CD2-CG1 4.43Å; Y515-I524 HydrophobicContact CG-CD1 4.14Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 3.05Å; I524-H526 PolarHBondContact O-N 3.4Å; I524-I527 PolarHBondContact O-N 3.41Å; I524-S528 WeakPolarHBondContact O-CB 3.44Å; I524-S528 PolarHBondContact O-N 2.95Å; I524-S528 PolarHBondContact O-OG 2.98Å
525N76.5Confident75.7Confident98 Ų9872.1 Ų72.152%0.52439%0.393SS..Hα-helixtrans-65.6-37178.4-71.3-29.6000112.6D522 S528 S529D522-N525 PolarHBondContact O-N 2.87Å; D522-N525 VanDerWaalsContact O-N 3.16Å; N525-S528 WeakPolarHBondContact CA-OG 3.32Å; N525-S528 PolarHBondContact O-OG 3.42Å; N525-S529 VanDerWaalsContact O-CB 3.29Å; N525-S529 WeakPolarHBondContact O-CB 3.26Å; N525-S529 PolarHBondContact O-N 3.44Å; N525-S529 PolarHBondContact O-OG 2.66Å
526H76Confident76Confident116 Ų11670 Ų7054%0.53739%0.389SS..Hα-helixtrans-68.7-42.1176.7-172.9-80.5000111.6D522 A523 I524 S529 S530D522-H526 PolarHBondContact O-N 2.75Å; A523-H526 PolarHBondContact O-N 3.18Å; I524-H526 PolarHBondContact O-N 3.4Å; H526-S529 PolarHBondContact O-N 3.06Å; H526-S530 WeakPolarHBondContact O-CB 3.39Å; H526-S530 PolarHBondContact O-N 2.89Å
527I77.9Confident76.3Confident19 Ų1973.1 Ų73.110%0.09739%0.389CS..Hα-helixtrans-68.9-44.1179.1-70.3165.8000110.6F503 A523 I524 S529 S530 I531F503-I527 HydrophobicContact CE1-CG2 4.2Å; A523-I527 WeakPolarHBondContact O-CG1 3.42Å; A523-I527 PolarHBondContact O-N 3.37Å; A523-I527 VanDerWaalsContact O-N 3.1Å; I524-I527 PolarHBondContact O-N 3.41Å; I527-S529 VanDerWaalsContact C-N 3.33Å; I527-S529 PolarHBondContact O-N 2.97Å; I527-S530 PolarHBondContact O-N 3.38Å; I527-I531 HydrophobicContact CG2-CD1 3.6Å; I527-I531 HydrophobicContact CG2-CG1 4.37Å; I527-I531 VanDerWaalsContact O-CG1 3.26Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 3.04Å
528S77.3Confident76.7Confident27 Ų2769.4 Ų69.419%0.18937%0.368CS..Hα-helixtrans-58.7-45175.169.80000111.4I524 N525 S530 I531 L532I524-S528 WeakPolarHBondContact O-CB 3.44Å; I524-S528 PolarHBondContact O-N 2.95Å; I524-S528 PolarHBondContact O-OG 2.98Å; N525-S528 WeakPolarHBondContact CA-OG 3.32Å; N525-S528 PolarHBondContact O-OG 3.42Å; S528-S530 PolarHBondContact O-N 3.37Å; S528-I531 PolarHBondContact O-N 2.77Å; S528-L532 VanDerWaalsContact O-CB 3.32Å; S528-L532 WeakPolarHBondContact O-CB 3.38Å; S528-L532 WeakPolarHBondContact O-CD1 3.31Å; S528-L532 VanDerWaalsContact O-CG 3.31Å; S528-L532 WeakPolarHBondContact O-CG 3.42Å; S528-L532 PolarHBondContact O-N 3.22Å
529S79.7Confident77.4Confident60 Ų6063.9 Ų63.942%0.4235%0.35SS..Hα-helixtrans-63.2-40.2177.3-61.70000112.7N525 H526 I527 N533N525-S529 VanDerWaalsContact O-CB 3.29Å; N525-S529 WeakPolarHBondContact O-CB 3.26Å; N525-S529 PolarHBondContact O-N 3.44Å; N525-S529 PolarHBondContact O-OG 2.66Å; H526-S529 PolarHBondContact O-N 3.06Å; I527-S529 VanDerWaalsContact C-N 3.33Å; I527-S529 PolarHBondContact O-N 2.97Å; S529-N533 WeakPolarHBondContact O-CB 3.48Å; S529-N533 VanDerWaalsContact O-CG 3.3Å; S529-N533 PolarHBondContact O-N 3.13Å; S529-N533 PolarHBondContact O-ND2 3.47Å
530S79.9Confident78.3Confident50 Ų5070.1 Ų70.135%0.3535%0.354SS..Hα-helixtrans-64.3-44.4176.7-175.50000111.6H526 I527 S528 N533 K534H526-S530 WeakPolarHBondContact O-CB 3.39Å; H526-S530 PolarHBondContact O-N 2.89Å; I527-S530 PolarHBondContact O-N 3.38Å; S528-S530 PolarHBondContact O-N 3.37Å; S530-N533 PolarHBondContact O-N 2.96Å; S530-K534 WeakPolarHBondContact O-CG 3.48Å; S530-K534 PolarHBondContact O-N 3.1Å
531I80.1Confident78.6Confident7 Ų775 Ų754%0.03638%0.377CS..Hα-helixtrans-68.9-42.5-179.6-65.3170.3000111.1F503 E507 I527 S528 N533 K534 A535F503-I531 HydrophobicContact CD1-CD1 3.31Å; F503-I531 HydrophobicContact CE1-CD1 3.51Å; F503-I531 HydrophobicContact CG-CD1 4.31Å; E507-I531 HydrophobicContact CB-CD1 4.04Å; E507-I531 HydrophobicContact CG-CD1 4.36Å; E507-I531 WeakPolarHBondContact OE2-CD1 3.46Å; I527-I531 HydrophobicContact CG2-CD1 3.6Å; I527-I531 HydrophobicContact CG2-CG1 4.37Å; I527-I531 VanDerWaalsContact O-CG1 3.26Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 3.04Å; S528-I531 PolarHBondContact O-N 2.77Å; I531-N533 VanDerWaalsContact C-N 3.32Å; I531-N533 PolarHBondContact O-N 3.41Å; I531-K534 WeakPolarHBondContact O-CB 3.45Å; I531-K534 PolarHBondContact O-N 2.94Å; I531-K534 VanDerWaalsContact O-N 3.16Å; I531-A535 PolarHBondContact O-N 2.87Å
532L80.8Confident78.7Confident87 Ų8777.3 Ų77.346%0.45537%0.373SS..Hα-helixtrans-57.6-45.4173.1-80.4160.9000111.3S528 K534 A535 I536S528-L532 VanDerWaalsContact O-CB 3.32Å; S528-L532 WeakPolarHBondContact O-CB 3.38Å; S528-L532 WeakPolarHBondContact O-CD1 3.31Å; S528-L532 VanDerWaalsContact O-CG 3.31Å; S528-L532 WeakPolarHBondContact O-CG 3.42Å; S528-L532 PolarHBondContact O-N 3.22Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 3.28Å; L532-A535 PolarHBondContact O-N 3.48Å; L532-I536 WeakPolarHBondContact O-CB 3.38Å; L532-I536 VanDerWaalsContact O-CG1 3.23Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 3.04Å
533N81.8Confident78.9Confident89 Ų8982.7 Ų82.748%0.47639%0.393SS..Hα-helixtrans-63.3-37.9176.7-78.9-42.9000112.6S529 S530 I531 R537S529-N533 WeakPolarHBondContact O-CB 3.48Å; S529-N533 VanDerWaalsContact O-CG 3.3Å; S529-N533 PolarHBondContact O-N 3.13Å; S529-N533 PolarHBondContact O-ND2 3.47Å; S530-N533 PolarHBondContact O-N 2.96Å; I531-N533 VanDerWaalsContact C-N 3.32Å; I531-N533 PolarHBondContact O-N 3.41Å; N533-R537 WeakPolarHBondContact O-CB 3.4Å; N533-R537 VanDerWaalsContact O-CG 3.27Å; N533-R537 WeakPolarHBondContact O-CG 3.47Å; N533-R537 PolarHBondContact O-N 2.97Å
534K82.8Confident78.7Confident98 Ų9883.4 Ų83.443%0.42640%0.399SS..Hα-helixtrans-64.9-45.4173.9-73179.5-177.9-175.80111.5S530 I531 L532 R537 H538 F556S530-K534 WeakPolarHBondContact O-CG 3.48Å; S530-K534 PolarHBondContact O-N 3.1Å; I531-K534 WeakPolarHBondContact O-CB 3.45Å; I531-K534 PolarHBondContact O-N 2.94Å; I531-K534 VanDerWaalsContact O-N 3.16Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 3.28Å; K534-R537 PolarHBondContact O-N 2.96Å; K534-H538 PolarHBondContact O-N 3.23Å; K534-F556 HydrophobicContact CB-CE1 4.25Å; K534-F556 HydrophobicContact CB-CZ 4.07Å
535A80Confident78.9Confident7 Ų783.1 Ų83.16%0.05840%0.402CS..Hα-helixtrans-63.6-44.4177.900000112.1L502 I531 L532 R537 H538 L539 F556L502-A535 HydrophobicContact CD2-CB 4.11Å; I531-A535 PolarHBondContact O-N 2.87Å; L532-A535 PolarHBondContact O-N 3.48Å; A535-R537 PolarHBondContact O-N 3Å; A535-H538 PolarHBondContact O-N 3.01Å; A535-L539 WeakPolarHBondContact O-CG 3.27Å; A535-L539 PolarHBondContact O-N 3.32Å; A535-F556 HydrophobicContact CB-CD1 4.27Å; A535-F556 HydrophobicContact CB-CE1 4.14Å
536I81.9Confident78.8Confident72 Ų7286.9 Ų86.937%0.36942%0.417SS..Hα-helixtrans-62.2-42176.2-68.4165.9000111L532 L539 R540L532-I536 WeakPolarHBondContact O-CB 3.38Å; L532-I536 VanDerWaalsContact O-CG1 3.23Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 3.04Å; I536-L539 PolarHBondContact O-N 2.87Å; I536-R540 WeakPolarHBondContact O-CB 3.38Å; I536-R540 WeakPolarHBondContact O-CG 3.27Å; I536-R540 PolarHBondContact O-N 3.19Å
537R82.9Confident78.7Confident172 Ų17290.2 Ų90.265%0.64943%0.433SS*.Hα-helixtrans-62-42.3175-77176.7-169.2166.23.8111.8N533 K534 A535 R540 M541N533-R537 WeakPolarHBondContact O-CB 3.4Å; N533-R537 VanDerWaalsContact O-CG 3.27Å; N533-R537 WeakPolarHBondContact O-CG 3.47Å; N533-R537 PolarHBondContact O-N 2.97Å; K534-R537 PolarHBondContact O-N 2.96Å; A535-R537 PolarHBondContact O-N 3Å; R537-R540 PolarHBondContact O-N 3.36Å; R537-M541 VanDerWaalsContact O-CG 3.25Å; R537-M541 WeakPolarHBondContact O-CG 3.43Å; R537-M541 PolarHBondContact O-N 3.45Å
538H81.8Confident78.6Confident35 Ų3597 Ų9716%0.16246%0.457CS..Hα-helixtrans-62.7-45.2177.4-177.2-97.7000112K534 A535 R540 M541 R542 F556K534-H538 PolarHBondContact O-N 3.23Å; A535-H538 PolarHBondContact O-N 3.01Å; H538-R540 VanDerWaalsContact C-N 3.35Å; H538-R540 PolarHBondContact O-N 3.4Å; H538-M541 PolarHBondContact O-N 3.44Å; H538-R542 PolarHBondContact O-N 3.46Å; H538-F556 HydrophobicContact CB-CD1 4.48Å; H538-F556 HydrophobicContact CB-CD2 3.69Å; H538-F556 HydrophobicContact CB-CE1 4.43Å; H538-F556 HydrophobicContact CB-CE2 3.63Å; H538-F556 HydrophobicContact CB-CG 4.11Å; H538-F556 HydrophobicContact CB-CZ 4Å; H538-F556 AromaticContact CD2-CD2 3.32Å; H538-F556 WeakPolarHBondContact CD2-CD2 3.35Å; H538-F556 AromaticContact CD2-CE2 3.68Å; H538-F556 AromaticContact CE1-CD2 3.93Å; H538-F556 AromaticContact CG-CD2 3.27Å; H538-F556 AromaticContact CG-CE2 3.67Å; H538-F556 AromaticContact CG-CG 3.81Å; H538-F556 AromaticContact ND1-CD2 3.68Å; H538-F556 AromaticContact ND1-CG 3.84Å; H538-F556 AromaticContact NE2-CD2 3.76Å
539L80.5Confident78.6Confident38 Ų3898.8 Ų98.820%0.19946%0.464CS..Hα-helixtrans-62.2-40.3175.8-69.7171.5000112.2A535 I536 R542 K543 A544 I549 D552 I553A535-L539 WeakPolarHBondContact O-CG 3.27Å; A535-L539 PolarHBondContact O-N 3.32Å; I536-L539 PolarHBondContact O-N 2.87Å; L539-R542 PolarHBondContact O-N 2.82Å; L539-K543 PolarHBondContact O-N 3.45Å; L539-K543 VanDerWaalsContact O-N 3.17Å; L539-A544 HydrophobicContact CD2-CB 4.2Å; L539-I549 HydrophobicContact CD1-CG2 4.07Å; L539-I549 HydrophobicContact CD2-CG2 4.29Å; L539-D552 HydrophobicContact CD2-CB 3.91Å; L539-I553 HydrophobicContact CD1-CD1 4.29Å; L539-I553 HydrophobicContact CD1-CG1 4.16Å; L539-I553 HydrophobicContact CD2-CG1 4.36Å
540R80.3Confident78.3Confident196 Ų196100.3 Ų100.374%0.7447%0.47SS*.Hα-helixtrans-64.6-39.7175.4-76.3-179.9-179.4-179.31.9112.7I536 R537 H538I536-R540 WeakPolarHBondContact O-CB 3.38Å; I536-R540 WeakPolarHBondContact O-CG 3.27Å; I536-R540 PolarHBondContact O-N 3.19Å; R537-R540 PolarHBondContact O-N 3.36Å; H538-R540 VanDerWaalsContact C-N 3.35Å; H538-R540 PolarHBondContact O-N 3.4Å
541M78.7Confident78.1Confident165 Ų165102.4 Ų102.481%0.81348%0.481SS*.Hα-helixtrans-67.1-40.7178.1-71.6-113.8-67.100112.2R537 H538R537-M541 VanDerWaalsContact O-CG 3.25Å; R537-M541 WeakPolarHBondContact O-CG 3.43Å; R537-M541 PolarHBondContact O-N 3.45Å; H538-M541 PolarHBondContact O-N 3.44Å
542R74.1Confident78.1Confident130 Ų130103.2 Ų103.249%0.49149%0.486SS..Hα-helixtrans-80.6-10.8-179-81.1-161.9173.2165.84.9115.2H538 L539 A544 D552 S555H538-R542 PolarHBondContact O-N 3.46Å; L539-R542 PolarHBondContact O-N 2.82Å; R542-A544 PolarHBondContact O-N 3.39Å; R542-D552 IonicContact CZ-OD1 3.17Å; R542-D552 IonicContact NH1-OD1 3.47Å; R542-D552 PolarHBondContact NH1-OD1 3.43Å; R542-S555 PolarHBondContact NH1-OG 3.49Å; R542-S555 VanDerWaalsContact NH1-OG 3.12Å
543K76.5Confident77.9Confident185 Ų185100.9 Ų100.980%0.80447%0.473SS*.THydrogen-bonded Turntrans4847.6-173.8-62.8-176.2178.4-179.90111.5L539L539-K543 PolarHBondContact O-N 3.45Å; L539-K543 VanDerWaalsContact O-N 3.17Å
544A69.3Low77.6Confident23 Ų23101.3 Ų101.319%0.1948%0.475CS..  trans-63129.7-176.200000110.8L539 R542 D552L539-A544 HydrophobicContact CD2-CB 4.2Å; R542-A544 PolarHBondContact O-N 3.39Å; A544-D552 WeakPolarHBondContact CB-OD2 3.23Å
545P77.8Confident77.3Confident71 Ų7198.4 Ų98.446%0.46147%0.467SS..  trans-63.9153.8169.527.8-33.1000110E547 R548P545-E547 PolarHBondContact O-N 3.16Å; P545-E547 VanDerWaalsContact O-N 3.07Å; P545-R548 HydrophobicContact CG-CB 4.01Å; P545-R548 HydrophobicContact CG-CG 3.96Å; P545-R548 PolarHBondContact O-N 3.28Å
546E74.7Confident77.3Confident178 Ų17899.2 Ų99.283%0.83247%0.469SS*.G310 helixtrans-53-35.5-175-162.5167.9-169.100112.6R548 I549E546-R548 VanDerWaalsContact C-N 3.31Å; E546-R548 PolarHBondContact O-N 3.46Å; E546-I549 HydrophobicContact CG-CD1 4.31Å
547E73.9Confident76.9Confident186 Ų18696.6 Ų96.687%0.86946%0.457SS*.G310 helixtrans-67.6-21.4177.5-60176.5-176.200114.8P545P545-E547 PolarHBondContact O-N 3.16Å; P545-E547 VanDerWaalsContact O-N 3.07Å
548R75.3Confident76.4Confident162 Ų16296.6 Ų96.661%0.61146%0.458SS*.G310 helixtrans-105.90.2-176.5-70.7-171.6-177.6-176.91.3114.3P545 E546 V550 T551 D552P545-R548 HydrophobicContact CG-CB 4.01Å; P545-R548 HydrophobicContact CG-CG 3.96Å; P545-R548 PolarHBondContact O-N 3.28Å; E546-R548 VanDerWaalsContact C-N 3.31Å; E546-R548 PolarHBondContact O-N 3.46Å; R548-V550 VanDerWaalsContact C-N 3.34Å; R548-V550 PolarHBondContact O-N 3.21Å; R548-T551 PolarHBondContact O-N 3.1Å; R548-D552 PolarHBondContact O-N 2.97Å
549I77.9Confident76.1Confident64 Ų6497.6 Ų97.633%0.32847%0.467SS..Hα-helixtrans-55.6-47.7-176-67.7174.2000111.4L539 E546 T551 D552 I553L539-I549 HydrophobicContact CD1-CG2 4.07Å; L539-I549 HydrophobicContact CD2-CG2 4.29Å; E546-I549 HydrophobicContact CG-CD1 4.31Å; I549-T551 PolarHBondContact O-N 3.28Å; I549-D552 PolarHBondContact O-N 2.9Å; I549-I553 HydrophobicContact CG2-CD1 3.74Å; I549-I553 HydrophobicContact CG2-CG1 4.44Å; I549-I553 VanDerWaalsContact O-CG1 3.26Å; I549-I553 WeakPolarHBondContact O-CG1 3.43Å; I549-I553 PolarHBondContact O-N 3.35Å
550V74.1Confident76Confident92 Ų9297 Ų9756%0.55846%0.462SS*.Hα-helixtrans-63.2-44.7-179.1-178.40000111.1R548 D552 I553 L554R548-V550 VanDerWaalsContact C-N 3.34Å; R548-V550 PolarHBondContact O-N 3.21Å; V550-D552 PolarHBondContact O-N 2.86Å; V550-I553 PolarHBondContact O-N 3.29Å; V550-L554 HydrophobicContact CG1-CD1 4.33Å; V550-L554 WeakPolarHBondContact O-CG 3.4Å; V550-L554 PolarHBondContact O-N 2.97Å
551T75.2Confident75.5Confident94 Ų9490.1 Ų90.158%0.57744%0.444SS*.Hα-helixtrans-63.1-41.6178.5-47.50000111.8R548 I549 L554 S555R548-T551 PolarHBondContact O-N 3.1Å; I549-T551 PolarHBondContact O-N 3.28Å; T551-L554 PolarHBondContact O-N 3.47Å; T551-S555 PolarHBondContact O-N 3.18Å
552D79.1Confident74.8Confident24 Ų2484.7 Ų84.713%0.12842%0.42CS..Hα-helixtrans-68.6-37.3177.8-89.9-38.7000112L539 R542 A544 R548 I549 V550 S555 F556L539-D552 HydrophobicContact CD2-CB 3.91Å; R542-D552 IonicContact CZ-OD1 3.17Å; R542-D552 IonicContact NH1-OD1 3.47Å; R542-D552 PolarHBondContact NH1-OD1 3.43Å; A544-D552 WeakPolarHBondContact CB-OD2 3.23Å; R548-D552 PolarHBondContact O-N 2.97Å; I549-D552 PolarHBondContact O-N 2.9Å; V550-D552 PolarHBondContact O-N 2.86Å; D552-S555 PolarHBondContact O-N 3.31Å; D552-S555 PolarHBondContact O-OG 3.42Å; D552-F556 WeakPolarHBondContact O-CB 3.42Å; D552-F556 PolarHBondContact O-N 2.96Å
553I77.8Confident74.3Confident37 Ų3782.9 Ų82.919%0.1942%0.42CS..Hα-helixtrans-61.4-47.5173.1-70166.2000110.5L502 L539 I549 V550 S555 F556 C557L502-I553 HydrophobicContact CD2-CG2 3.75Å; L502-I553 HydrophobicContact CG-CG2 3.99Å; L539-I553 HydrophobicContact CD1-CD1 4.29Å; L539-I553 HydrophobicContact CD1-CG1 4.16Å; L539-I553 HydrophobicContact CD2-CG1 4.36Å; I549-I553 HydrophobicContact CG2-CD1 3.74Å; I549-I553 HydrophobicContact CG2-CG1 4.44Å; I549-I553 VanDerWaalsContact O-CG1 3.26Å; I549-I553 WeakPolarHBondContact O-CG1 3.43Å; I549-I553 PolarHBondContact O-N 3.35Å; V550-I553 PolarHBondContact O-N 3.29Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 2.89Å; I553-F556 CarbonylContact O-C 3.59Å; I553-F556 WeakPolarHBondContact O-CA 3.45Å; I553-F556 WeakPolarHBondContact O-CB 3.32Å; I553-F556 PolarHBondContact O-N 3.01Å; I553-F556 VanDerWaalsContact O-N 3.09Å; I553-C557 PolarHBondContact O-N 3.43Å; I553-C557 PolarHBondContact O-SG 3.36Å
554L74.1Confident73.4Confident98 Ų9875.8 Ų75.851%0.51339%0.394SS..Hα-helixtrans-62.5-39.8177.7-68.9173.1000111.9V550 T551 F556 C557 Y558V550-L554 HydrophobicContact CG1-CD1 4.33Å; V550-L554 WeakPolarHBondContact O-CG 3.4Å; V550-L554 PolarHBondContact O-N 2.97Å; T551-L554 PolarHBondContact O-N 3.47Å; L554-F556 VanDerWaalsContact C-N 3.29Å; L554-F556 PolarHBondContact O-N 3.02Å; L554-C557 PolarHBondContact O-N 2.86Å; L554-Y558 PolarHBondContact O-N 3.49Å
555S76.4Confident72.5Confident37 Ų3779.7 Ų79.726%0.25942%0.416SS..Hα-helixtrans-63.9-36.1173.983.70000112.3R542 T551 D552 I553 Y558 T559R542-S555 PolarHBondContact NH1-OG 3.49Å; R542-S555 VanDerWaalsContact NH1-OG 3.12Å; T551-S555 PolarHBondContact O-N 3.18Å; D552-S555 PolarHBondContact O-N 3.31Å; D552-S555 PolarHBondContact O-OG 3.42Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 2.89Å; S555-Y558 PolarHBondContact O-N 3.49Å; S555-T559 WeakPolarHBondContact O-CG2 3.32Å; S555-T559 PolarHBondContact O-N 3.17Å; S555-T559 PolarHBondContact O-OG1 3.17Å
556F80.4Confident71Confident25 Ų2583.9 Ų83.911%0.1143%0.429CS..Hα-helixtrans-70.2-39.4177-175.8-115.1000111.8K534 A535 H538 D552 I553 L554 T559 R560K534-F556 HydrophobicContact CB-CE1 4.25Å; K534-F556 HydrophobicContact CB-CZ 4.07Å; A535-F556 HydrophobicContact CB-CD1 4.27Å; A535-F556 HydrophobicContact CB-CE1 4.14Å; H538-F556 HydrophobicContact CB-CD1 4.48Å; H538-F556 HydrophobicContact CB-CD2 3.69Å; H538-F556 HydrophobicContact CB-CE1 4.43Å; H538-F556 HydrophobicContact CB-CE2 3.63Å; H538-F556 HydrophobicContact CB-CG 4.11Å; H538-F556 HydrophobicContact CB-CZ 4Å; H538-F556 AromaticContact CD2-CD2 3.32Å; H538-F556 WeakPolarHBondContact CD2-CD2 3.35Å; H538-F556 AromaticContact CD2-CE2 3.68Å; H538-F556 AromaticContact CE1-CD2 3.93Å; H538-F556 AromaticContact CG-CD2 3.27Å; H538-F556 AromaticContact CG-CE2 3.67Å; H538-F556 AromaticContact CG-CG 3.81Å; H538-F556 AromaticContact ND1-CD2 3.68Å; H538-F556 AromaticContact ND1-CG 3.84Å; H538-F556 AromaticContact NE2-CD2 3.76Å; D552-F556 WeakPolarHBondContact O-CB 3.42Å; D552-F556 PolarHBondContact O-N 2.96Å; I553-F556 CarbonylContact O-C 3.59Å; I553-F556 WeakPolarHBondContact O-CA 3.45Å; I553-F556 WeakPolarHBondContact O-CB 3.32Å; I553-F556 PolarHBondContact O-N 3.01Å; I553-F556 VanDerWaalsContact O-N 3.09Å; L554-F556 VanDerWaalsContact C-N 3.29Å; L554-F556 PolarHBondContact O-N 3.02Å; F556-T559 WeakPolarHBondContact CA-OG1 3.25Å; F556-T559 PolarHBondContact O-OG1 3.42Å; F556-R560 HydrophobicContact CE2-CG 4.39Å; F556-R560 VanDerWaalsContact CZ-CD 3.49Å; F556-R560 HydrophobicContact CZ-CG 4.37Å; F556-R560 WeakPolarHBondContact O-CB 3.38Å; F556-R560 WeakPolarHBondContact O-CD 3.49Å; F556-R560 VanDerWaalsContact O-CG 3.27Å; F556-R560 WeakPolarHBondContact O-CG 3.36Å; F556-R560 PolarHBondContact O-N 3.16Å; F556-R560 VanDerWaalsContact O-N 3.1Å
557C74.3Confident69.5Low16 Ų1679.4 Ų79.411%0.10841%0.411CS..Hα-helixtrans-63.5-44172.5-65.60000111.5S501 I553 L554 R560 S561S501-C557 PolarHBondContact O-SG 3.27Å; I553-C557 PolarHBondContact O-N 3.43Å; I553-C557 PolarHBondContact O-SG 3.36Å; L554-C557 PolarHBondContact O-N 2.86Å; C557-R560 PolarHBondContact O-N 3.24Å; C557-S561 PolarHBondContact O-N 3.33Å
558Y72.1Confident67.8Low172 Ų17277.6 Ų77.668%0.67540%0.402SS*.Hα-helixtrans-62.4-47.5179.2-172.3-98.5000112.1L554 S555 R560 S561 T562L554-Y558 PolarHBondContact O-N 3.49Å; S555-Y558 PolarHBondContact O-N 3.49Å; Y558-R560 VanDerWaalsContact C-N 3.28Å; Y558-R560 PolarHBondContact O-N 2.96Å; Y558-S561 WeakPolarHBondContact O-CB 3.41Å; Y558-S561 PolarHBondContact O-N 2.95Å; Y558-S561 VanDerWaalsContact O-N 3.13Å; Y558-T562 HydrophobicContact CD1-CG2 4.31Å; Y558-T562 HydrophobicContact CE1-CG2 3.93Å; Y558-T562 PolarHBondContact O-N 3.34Å; Y558-T562 PolarHBondContact O-OG1 2.96Å
559T75.4Confident66Low56 Ų5678 Ų7834%0.34442%0.417SS..Hα-helixtrans-62.7-32.917746.90000113.1S555 F556 T562 N563S555-T559 WeakPolarHBondContact O-CG2 3.32Å; S555-T559 PolarHBondContact O-N 3.17Å; S555-T559 PolarHBondContact O-OG1 3.17Å; F556-T559 WeakPolarHBondContact CA-OG1 3.25Å; F556-T559 PolarHBondContact O-OG1 3.42Å; T559-T562 PolarHBondContact O-OG1 2.87Å; T559-N563 VanDerWaalsContact O-CG 3.26Å; T559-N563 PolarHBondContact O-N 2.86Å; T559-N563 PolarHBondContact O-OD1 3.32Å
560R78.8Confident63.9Low25 Ų2578.7 Ų78.79%0.09443%0.427CS..Hα-helixtrans-72.6-33.9173.8-73.316964.2-155.414.9112.9L502 T504 E507 F556 C557 Y558 S564L502-R560 PolarHBondContact O-NH1 3.21Å; T504-R560 HydrophobicContact CG2-CB 3.7Å; E507-R560 IonicContact OE1-CZ 3.72Å; E507-R560 IonicContact OE1-NE 2.86Å; E507-R560 IonicContact OE1-NH2 2.66Å; E507-R560 PolarHBondContact OE1-NH2 3.03Å; E507-R560 IonicContact OE2-CZ 3.38Å; E507-R560 VanDerWaalsContact OE2-CZ 3.32Å; E507-R560 IonicContact OE2-NH1 3.31Å; E507-R560 IonicContact OE2-NH2 3.71Å; E507-R560 PolarHBondContact OE2-NH2 2.87Å; F556-R560 HydrophobicContact CE2-CG 4.39Å; F556-R560 VanDerWaalsContact CZ-CD 3.49Å; F556-R560 HydrophobicContact CZ-CG 4.37Å; F556-R560 WeakPolarHBondContact O-CB 3.38Å; F556-R560 WeakPolarHBondContact O-CD 3.49Å; F556-R560 VanDerWaalsContact O-CG 3.27Å; F556-R560 WeakPolarHBondContact O-CG 3.36Å; F556-R560 PolarHBondContact O-N 3.16Å; F556-R560 VanDerWaalsContact O-N 3.1Å; C557-R560 PolarHBondContact O-N 3.24Å; Y558-R560 VanDerWaalsContact C-N 3.28Å; Y558-R560 PolarHBondContact O-N 2.96Å; R560-S564 PolarHBondContact O-N 2.99Å; R560-S564 PolarHBondContact O-OG 3.32Å
561S69Low61.9Low53 Ų5380.3 Ų80.337%0.37143%0.432SS..Hα-helixtrans-65.8-43.1175.4-170.80000111.6C557 Y558 S564 T565C557-S561 PolarHBondContact O-N 3.33Å; Y558-S561 WeakPolarHBondContact O-CB 3.41Å; Y558-S561 PolarHBondContact O-N 2.95Å; Y558-S561 VanDerWaalsContact O-N 3.13Å; S561-S564 PolarHBondContact O-N 2.84Å; S561-T565 PolarHBondContact O-OG1 3.18Å; S561-T565 VanDerWaalsContact O-OG1 3.06Å
562T65.3Low59.9Low51 Ų5184.5 Ų84.531%0.31344%0.443SS..Hα-helixtrans-69.6-33.5178.8560000113.5Y558 T559 T565Y558-T562 HydrophobicContact CD1-CG2 4.31Å; Y558-T562 HydrophobicContact CE1-CG2 3.93Å; Y558-T562 PolarHBondContact O-N 3.34Å; Y558-T562 PolarHBondContact O-OG1 2.96Å; T559-T562 PolarHBondContact O-OG1 2.87Å; T562-T565 PolarHBondContact O-OG1 3.45Å
563N63.2Low57.6Low91 Ų9192.3 Ų92.349%0.48748%0.479SS..Hα-helixtrans-76-28.2178.2-70.72.8000112.3T559 T565 Q566 N567T559-N563 VanDerWaalsContact O-CG 3.26Å; T559-N563 PolarHBondContact O-N 2.86Å; T559-N563 PolarHBondContact O-OD1 3.32Å; N563-T565 VanDerWaalsContact C-N 3.27Å; N563-T565 PolarHBondContact O-N 3.48Å; N563-Q566 PolarHBondContact O-N 3.32Å; N563-N567 PolarHBondContact O-N 3.45Å
564S57Low55.5Low37 Ų3799.6 Ų99.626%0.25951%0.512SS..Hα-helixtrans-68-29.6178-56.10000111.7R560 S561 E568R560-S564 PolarHBondContact O-N 2.99Å; R560-S564 PolarHBondContact O-OG 3.32Å; S561-S564 PolarHBondContact O-N 2.84Å; S564-E568 VanDerWaalsContact O-CG 3.28Å; S564-E568 WeakPolarHBondContact O-CG 3.34Å
565T50.2Low53.4Low105 Ų105102.3 Ų102.364%0.64453%0.527SS*.THydrogen-bonded Turntrans-82.4-8.9178.5170000114.3S561 T562 N563S561-T565 PolarHBondContact O-OG1 3.18Å; S561-T565 VanDerWaalsContact O-OG1 3.06Å; T562-T565 PolarHBondContact O-OG1 3.45Å; N563-T565 VanDerWaalsContact C-N 3.27Å; N563-T565 PolarHBondContact O-N 3.48Å
566Q45.8Very low51.3Low159 Ų159107.4 Ų107.474%0.74355%0.546SS*.THydrogen-bonded Turntrans-105.5-11.4-179.9-70.1-172.5-1800113.9N563N563-Q566 PolarHBondContact O-N 3.32Å
567N43.3Very low49Very low83 Ų83113.2 Ų113.244%0.44458%0.578SS.*  trans-115.911.4-172.4-75.9-3000114.8N563 D569 S570N563-N567 PolarHBondContact O-N 3.45Å; N567-D569 PolarHBondContact O-N 2.86Å; N567-S570 PolarHBondContact O-N 3.35Å; N567-S570 VanDerWaalsContact O-N 3.08Å; N567-S570 PolarHBondContact O-OG 3.41Å
568E39.5Very low47.1Very low149 Ų149122.5 Ų122.570%0.69662%0.617SS**THydrogen-bonded Turntrans-64.8-11.9-174.9-63.4-167.2158.100114.6S564S564-E568 VanDerWaalsContact O-CG 3.28Å; S564-E568 WeakPolarHBondContact O-CG 3.34Å
569D36.2Very low45.3Very low171 Ų171121.2 Ų121.291%0.91461%0.612SS**THydrogen-bonded Turntrans-96.6-0175-73.4-35.8000114.8N567N567-D569 PolarHBondContact O-N 2.86Å
570S34.7Very low43.4Very low77 Ų77123.2 Ų123.254%0.53863%0.628SS.*THydrogen-bonded Turntrans-119.3-9.1-172.5470000116.5N567 K572N567-S570 PolarHBondContact O-N 3.35Å; N567-S570 VanDerWaalsContact O-N 3.08Å; N567-S570 PolarHBondContact O-OG 3.41Å; S570-K572 VanDerWaalsContact C-N 3.26Å; S570-K572 PolarHBondContact O-N 3.09Å
571D31.7Very low41.3Very low126 Ų126126.9 Ų126.967%0.67466%0.655SS**  trans-87.561.1177.4-73.7-8.8000111.5E573D571-E573 PolarHBondContact O-N 3.48Å
572K33.7Very low39.6Very low183 Ų183132.2 Ų132.280%0.79668%0.678SS**  trans-80.4109.3160.4-75.1-178.6-178.6172.70108.7S570 E574S570-K572 VanDerWaalsContact C-N 3.26Å; S570-K572 PolarHBondContact O-N 3.09Å; K572-E574 PolarHBondContact O-N 2.91Å
573E29.6Very low38Very low188 Ų188137.4 Ų137.488%0.87970%0.696SS**  trans52.357.5147.6-60.4-179.1173.300117.3D571 N575D571-E573 PolarHBondContact O-N 3.48Å; E573-N575 PolarHBondContact O-N 3.12Å
574E33.5Very low36.5Very low190 Ų190139.3 Ų139.389%0.88871%0.714SS**  trans-80.599.2159.2-77.8-165169.600111K572K572-E574 PolarHBondContact O-N 2.91Å
575N31Very low35.3Very low154 Ų154147.5 Ų147.582%0.82474%0.74SS**  trans56.885.9160.3-70.6-52.5000116.9E573E573-N575 PolarHBondContact O-N 3.12Å
576E32.5Very low34.6Very low144 Ų144147.3 Ų147.367%0.67374%0.744SS**  trans-57.7148.6147.8-62.2-160.7128.800110.6R518R518-E576 IonicContact NH2-OE1 3.67Å
577D32.2Very low33.8Very low147 Ų147147.4 Ų147.479%0.78675%0.749SS**  trans76.965.2163.1-57-19.2000121.2
578K34.3Very low33.4Very low211 Ų211149.6 Ų149.692%0.91777%0.768SS**  trans-142.875.5140.9-71.5-168.5-177.9167.20112.1
579Y33.9Very low33.1Very low146 Ų146151.9 Ų151.957%0.57378%0.776SS**  trans-104.2117.1159.5-173.9-96.5000108.9D522D522-Y579 PolarHBondContact OD2-OH 2.88Å
580S34.9Very low32.9Very low98 Ų98148.8 Ų148.869%0.68576%0.762SS**  trans-119123.1171.7-51.70000107.7I582S580-I582 PolarHBondContact O-N 3.44Å
581P35.5Very low32.8Very low102 Ų102153.1 Ų153.166%0.66277%0.774SS**  trans-65.9123.7-177.923.6-29.8000110.4K583P581-K583 PolarHBondContact O-N 2.78Å
582I33Very low32.9Very low165 Ų165152.7 Ų152.785%0.84678%0.776SS**  trans-69.3113.4172.3-63173.2000107.6S580S580-I582 PolarHBondContact O-N 3.44Å
583K32Very low32.7Very low159 Ų159149.7 Ų149.769%0.69178%0.777SS**  trans-65.6139.9167.5-69-177.7179.6179.10109.3P581 Y585P581-K583 PolarHBondContact O-N 2.78Å; K583-Y585 PolarHBondContact O-N 3.36Å
584P31.6Very low32.9Very low132 Ų132144.8 Ų144.886%0.85777%0.768SS**  trans-71.1105.5176.828.8-30.3000108.8
585Y31.6Very low32.8Very low208 Ų208143 Ų14382%0.81677%0.765SS**  trans-85115.3171.7-93.2-86.4000110.2K583K583-Y585 PolarHBondContact O-N 3.36Å
586S35.5Very low33Very low102 Ų102142.1 Ų142.171%0.71377%0.765SS**  trans-52.3137.1161.747.50000112.5
587N28.6Very low33.1Very low160 Ų160144.8 Ų144.886%0.85678%0.775SS**  trans-10.2124.8166.7-78.3-16000117.1
588P34.9Very low33.3Very low129 Ų129143.2 Ų143.284%0.83877%0.772SS**  trans-97.3120.7159.532.8-22.5000110.3
589K34.2Very low33.2Very low198 Ų198139.8 Ų139.886%0.86177%0.769SS**  trans-81123.5154.8-85.1-177.7176.3178.70108.1
590V33Very low33Very low105 Ų105143.2 Ų143.264%0.63678%0.781SS**  trans70.6116130.2-176.40000118.3
591E31.9Very low32.9Very low169 Ų169145.7 Ų145.779%0.7979%0.786SS**  trans69.9147.3146.3-68.6164.7-168.600119.2
592T32.5Very low32.6Very low116 Ų116147.3 Ų147.371%0.71279%0.785SS**  cis-167.8152.5-12.525.30000107.3
593C29.7Very low32.4Very low121 Ų121146.6 Ų146.682%0.81878%0.778SS**  trans62.9115.1143.2-71.20000123
594A34.2Very low32.4Very low84 Ų84146.9 Ų146.969%0.69479%0.786SS**  125.6120.9107.500000117.1
595N32Very low32.1Very low152 Ų152149.3 Ų149.381%0.81379%0.786SS**  trans50.2133.1138.7-63.8-15.4000118.5
596T35Very low32.2Very low136 Ų136150.3 Ų150.383%0.83479%0.788SS**  cis-176169.947.8-21.10000110
597K34.4Very low31.9Very low200 Ų200150.2 Ų150.287%0.8779%0.788SS**  trans-69.2171-161-80.4174.4175.4177.70120.3
598P36.8Very low32Very low114 Ų114151.2 Ų151.274%0.7479%0.792SS**  trans-108.3172-171.541.4-31.7000115.2
599T31.9Very low31.9Very low139 Ų139152.5 Ų152.585%0.85379%0.787SS**  trans-167.1131.4151.6-9.70000115.5
600R28.9Very low31.8Very low218 Ų218150.7 Ų150.782%0.82378%0.782SS**  trans67.8126.1134.4-151.6172.3-170.5172.61.8123.2
601L34Very low31.9Very low150 Ų150153 Ų15379%0.78579%0.785SS**  trans-179.5112.7131.9-89.9165.6000107.2
602Q29Very low31.8Very low136 Ų136153.5 Ų153.564%0.63679%0.788SS**  43.2132.9103.7-81.3175-6200113.5
603E28.3Very low31.8Very low151 Ų151152.2 Ų152.271%0.70679%0.789SS**  cis-176.9156.222.1-117.6157.5-153.700105.7
604L31.6Very low32Very low164 Ų164156.1 Ų156.186%0.85980%0.795SS**  trans157.1118.7140-83.9154.5000111.7
605E25.9Very low31.8Very low183 Ų183160.8 Ų160.886%0.85580%0.803SS**  trans-126.7119.4-172.1176.1-178.9-135.100107.6
606W33.5Very low31.9Very low229 Ų229160.1 Ų160.187%0.86780%0.804SS**  trans-13397.2173.3-80.249.8000110
607S29.7Very low31.7Very low100 Ų100158.8 Ų158.870%0.69980%0.798SS**  trans26.5124.6139.152.40000122.1
608L30.1Very low31.6Very low181 Ų181156.7 Ų156.795%0.94879%0.794SS**  trans-106.9129.4154.1-99157.5000107.9
609E32.4Very low31.4Very low157 Ų157159.9 Ų159.973%0.73480%0.799SS**  trans-124.9142.6174.8-91176.9171.200109.9
610E33.4Very low31.4Very low160 Ų160159.5 Ų159.575%0.74879%0.791SS**  trans75.4131.9154-64.8171.4-175.300117.9
611E34.2Very low31.6Very low152 Ų152156.1 Ų156.171%0.7179%0.79SS**  cis-163.6140.615.2-115.3169.9-176.700111.2
612E31.3Very low31.7Very low181 Ų181157.3 Ų157.385%0.84680%0.796SS**  trans60.999.7144.9-64.3-174.3169.600122.9
613A32.6Very low32Very low89 Ų89156.4 Ų156.474%0.73680%0.8SS**  trans-125.9113.714500000108.9Q615A613-Q615 PolarHBondContact O-N 2.96Å
614E32.5Very low32.3Very low202 Ų202155.3 Ų155.394%0.94481%0.806SS**  trans-63.2114.1169.8-89.4-177.914200110.3
615Q29.7Very low32.4Very low183 Ų183156.8 Ų156.886%0.85581%0.808SS**PPolyproline II helixtrans-103.8120163-73.3-179.68.600108.7A613A613-Q615 PolarHBondContact O-N 2.96Å
616V33.9Very low32.6Very low137 Ų137157.6 Ų157.683%0.8381%0.809SS**PPolyproline II helixtrans-79.9134.8164.3-178.60000108.4
617P32.2Very low32.6Very low109 Ų109153.5 Ų153.571%0.70881%0.809SS**PPolyproline II helixtrans-81.9137-167.731.5-33.6000112.8H619P617-H619 PolarHBondContact O-N 3.42Å
618I31.1Very low32.6Very low156 Ų156159.6 Ų159.680%0.882%0.817SS**  trans-75.1110.8164.8-63169.1000107.9
619H34.3Very low32.6Very low180 Ų180157.6 Ų157.683%0.83381%0.812SS**  trans-93.8109.7162.9-122.6-65.8000109.4P617P617-H619 PolarHBondContact O-N 3.42Å
620N31.1Very low32.6Very low131 Ų131157.2 Ų157.270%0.70182%0.815SS**  trans-67.4128165.2-81.9-29.8000109.6
621N32.5Very low32.3Very low147 Ų147159.3 Ų159.379%0.78682%0.821SS**  trans173.4111.5138.9-87.4-24.3000107.8
622L36.2Very low32.3Very low175 Ų175159 Ų15992%0.91683%0.83SS**  trans-178.7129.8136-91.8146.9000110.7
623T35.5Very low32.2Very low118 Ų118155.9 Ų155.972%0.72483%0.828SS**  trans-40.5150.9-179.644.80000118.2
624P34.3Very low32.2Very low127 Ų127155.5 Ų155.583%0.82583%0.832SS**PPolyproline II helixtrans-88.6119.4173.634.2-27.7000110.9
625E34.1Very low32.1Very low195 Ų195156.1 Ų156.191%0.91183%0.832SS**PPolyproline II helixtrans-95.3135.8169.8-141.5179.8-172.600111.5
626K30Very low32.2Very low200 Ų200151.7 Ų151.787%0.8783%0.827SS**PPolyproline II helixtrans-74.5129.8-171.6-67.5164.5176.5168.30111
627V33Very low32.1Very low143 Ų143151.6 Ų151.687%0.86783%0.826SS**  trans-124.6125.8156.3-177.50000110.4
628R30Very low32Very low229 Ų229153.9 Ų153.986%0.86483%0.832SS**PPolyproline II helixtrans-68.3132.4-172.6-75.5170.7166.3165.6-4.8112.1
629V30.1Very low31.9Very low138 Ų138155 Ų15584%0.83683%0.834SS**PPolyproline II helixtrans-90.5116.3161.5179.40000108.5
630N32.6Very low31.6Very low149 Ų149151.8 Ų151.880%0.79783%0.827SS**PPolyproline II helixtrans-86.5117.6167.3-85.9-13.9000110
631K28.5Very low31.4Very low204 Ų204154.7 Ų154.789%0.88783%0.834SS**PPolyproline II helixtrans-63.5132.6164.6-87.7172.8170.3170.60110.2
632V33.7Very low31.3Very low146 Ų146156.5 Ų156.589%0.88584%0.837SS**  trans-128.7124.9145.1-177.60000108.5
633S28.9Very low30.8Very low116 Ų116153.5 Ų153.581%0.81183%0.831SS**  trans-79.6140.5-177.750.30000112.7
634G32.8Very low30.4Very low80 Ų80156.7 Ų156.783%0.82584%0.835SS**  trans-154.8105.616200000110.5
635K29.4Very low30Very low215 Ų215158.8 Ų158.894%0.93584%0.839SS**  trans-77.4136.3175.2-75.6173.6171.8175.80110.4
636A33.1Very low29.7Very low91 Ų91158.5 Ų158.575%0.75284%0.835SS**  trans-169102139.300000112.5
637T31.7Very low29.7Very low134 Ų134158.8 Ų158.882%0.82284%0.836SS**  trans45.4107.4130.5-33.60000122.3
638L28.8Very low29.5Very low158 Ų158157.8 Ų157.883%0.82784%0.835SS**  trans-1.6130.1139-70.5146.3000118.6
639Q30.2Very low29.7Very low179 Ų179151.6 Ų151.684%0.83682%0.823SS**  -173.3134.4109.9-100.3178.230.700114.2
640T28.3Very low30Very low113 Ų113147.1 Ų147.169%0.69380%0.797SS**  trans71.6107.4148.630.90000123.3
641K26.5Very low30.1Very low192 Ų192144.4 Ų144.484%0.83579%0.79SS**  46.5110.7124.4-63.9-178.1179.3-179.20118.4
642Q29.6Very low30.6Very low184 Ų184136.1 Ų136.186%0.8676%0.757SS**  -173.1133.6111.9-101171.86.500111.1
643S25.2Very low30.9Very low112 Ų112134.4 Ų134.478%0.78374%0.739SS**  trans-73.8128.7179.450.30000111.9
644F28.8Very low31.2Very low185 Ų185133.4 Ų133.481%0.81172%0.724SS**  trans-137.6111.6155.4-92.3-82.3000109.4K646F644-K646 PolarHBondContact O-N 3Å
645N25.3Very low31.5Very low171 Ų171133 Ų13391%0.91470%0.703SS**  trans-61.9110.5166.6-89.3-19.7000108.8
646K28.1Very low31.7Very low190 Ų190127.8 Ų127.883%0.82668%0.684SS**  trans-116.7121162.2-85.4-176175.1-179.90108.4F644 S648F644-K646 PolarHBondContact O-N 3Å; K646-S648 PolarHBondContact O-N 3.27Å
647K29.3Very low31.8Very low205 Ų205127.6 Ų127.689%0.89167%0.668SS**PPolyproline II helixtrans-52.8128.3167-72.7179.3174.2-179.20108.4V649K647-V649 PolarHBondContact O-N 2.96Å
648S28.4Very low31.7Very low122 Ų122125.7 Ų125.785%0.85366%0.656SS**PPolyproline II helixtrans-66.4121177.853.60000110.2K646K646-S648 PolarHBondContact O-N 3.27Å
649V35.2Very low31.7Very low99 Ų99124.8 Ų124.860%0.665%0.646SS**PPolyproline II helixtrans-88.5137.1170.9-178.70000107.6K647K647-V649 PolarHBondContact O-N 2.96Å
650P35.4Very low31.9Very low45 Ų45123 Ų12329%0.29264%0.642SS.*PPolyproline II helixtrans-64.9137.9177.627-33.5000110.8L192L192-P650 HydrophobicContact CD2-CG 4.18Å
651S35.7Very low32.2Very low92 Ų92124 Ų12464%0.64364%0.643SS**  trans-99.2115.217861.30000110.4N194N194-S651 PolarHBondContact OD1-O 3.45Å
652C38Very low32.3Very low30 Ų30124.4 Ų124.420%0.20365%0.645CS.*  trans-58.8139.2170.7-74.10000111.4
653Q39.7Very low32.3Very low109 Ų109119.5 Ų119.551%0.50964%0.644SS.*  trans-73.2134.8172.6-72.6-177.3-9.700110.4
654L35.4Very low32.6Very low95 Ų95123.8 Ų123.850%0.49765%0.649SS.*EExtended strand (participates in β ladder)trans-113.6124177.6-74.5160.9000108R200 F235R200-L654 HydrophobicContact CG-CD2 4.25Å; F235-L654 HydrophobicContact CD1-CD2 3.96Å; F235-L654 HydrophobicContact CE1-CD2 3.83Å
655I40.4Very low32.8Very low73 Ų73122 Ų12237%0.37465%0.648SS.*EExtended strand (participates in β ladder)trans-124130.5174.5-57.3177.9000108.8T197 Y199 R200T197-I655 HydrophobicContact CG2-CD1 4.34Å; T197-I655 HydrophobicContact CG2-CG1 4.39Å; Y199-I655 HydrophobicContact CD1-CB 4.4Å; Y199-I655 HydrophobicContact CE1-CB 4.21Å; Y199-I655 HydrophobicContact CE1-CG2 4.24Å; R200-I655 PolarHBondContact N-O 3.43Å
656L32.8Very low33Very low105 Ų105118.1 Ų118.155%0.5563%0.634SS.*EExtended strand (participates in β ladder)trans-87.2128.6176.3-70.1171000108.9R200 T202R200-L656 HydrophobicContact CB-CD2 4.07Å; T202-L656 HydrophobicContact CG2-CB 3.71Å
657Q34.6Very low33.4Very low86 Ų86115.3 Ų115.340%0.40263%0.628SS.*EExtended strand (participates in β ladder)trans-93.6112.8-177.7-142.3178.6-6.900110.6Y199 R200 T202Y199-Q657 HydrophobicContact CD1-CG 4.42Å; R200-Q657 PolarHBondContact O-N 2.88Å; T202-Q657 WeakPolarHBondContact CB-O 3.46Å; T202-Q657 WeakPolarHBondContact CG2-O 3.16Å; T202-Q657 PolarHBondContact OG1-O 2.98Å
658T29.8Very low33.6Very low95 Ų95114.1 Ų114.158%0.58362%0.623SS**  trans-87.2145.1171.652.90000110.8T202 D660T202-T658 HydrophobicContact CG2-CG2 3.92Å; T658-D660 PolarHBondContact O-N 3.19Å; T658-D660 PolarHBondContact OG1-OD2 3.06Å
659K29.9Very low34Very low138 Ų138116.4 Ų116.460%0.663%0.626SS**  trans-83.496.4159.6-80.5178.9174.7172.50107.2
660D32.9Very low33.9Very low143 Ų143121 Ų12177%0.76564%0.641SS**  trans-118.7107.5162.2-72.7-48000108.5T658T658-D660 PolarHBondContact O-N 3.19Å; T658-D660 PolarHBondContact OG1-OD2 3.06Å
661D34.7Very low33.9Very low134 Ų134123.3 Ų123.372%0.71766%0.663SS**  trans-63.1137.3174.1-85.3-40.5000112.1
662F29.7Very low33.7Very low199 Ų199125.7 Ų125.787%0.87367%0.674SS**  trans47.2114.8142.2-66-84.2000120.6
663G28.7Very low33.6Very low81 Ų81131.2 Ų131.284%0.83571%0.707SS**  trans-172.562.8154.900000111.4
664F30.7Very low33.3Very low203 Ų203134.6 Ų134.689%0.8973%0.728SS**  trans-97.3100.7168.1-144.7-88.3000108.3
665D34.5Very low33.2Very low147 Ų147134.1 Ų134.179%0.78674%0.738SS**  trans-72.6143.6162.5-102.4-30.2000109.5
666S29.3Very low32.7Very low90 Ų90137.9 Ų137.963%0.62976%0.759SS**  trans-46.8134.4175.551.10000114
667D36.8Very low32.8Very low130 Ų130142.2 Ų142.270%0.69578%0.778SS**  -176129.7110.4-88.7-33.3000111.7
668K33.5Very low33Very low180 Ų180144.7 Ų144.778%0.78380%0.799SS**  trans21.2120.3146.9-60.9170.2-177.5168.60117.6
669D36.6Very low33.3Very low171 Ų171148.1 Ų148.191%0.91481%0.808SS**  -162.1132.1125.3-87.3-29.6000111.1
670E32.2Very low33.5Very low195 Ų195148.3 Ų148.391%0.91182%0.816SS**  trans-78.4137.7-178.4-63.5170142.900111.5
671A35Very low33.9Very low93 Ų93148.6 Ų148.677%0.76982%0.823SS**  trans-168.486.2146.400000111.1
672T33.3Very low34Very low143 Ų143146.6 Ų146.688%0.87782%0.819SS**  trans5.9117146.833.90000119.7
673T34.6Very low34.3Very low145 Ų145142.5 Ų142.589%0.8981%0.811SS**  trans-71.414315241.20000111.2
674L32.9Very low34.8Very low180 Ų180145.1 Ų145.194%0.94281%0.805SS**  trans-119.699.2179.1-153.5147.6000108.6
675A33.6Very low35.2Very low85 Ų85142 Ų14270%0.70280%0.798SS**  trans-160.2139.6159.200000108.9
676D31.6Very low35.4Very low153 Ų153141.5 Ų141.582%0.81880%0.795SS**  trans82.990.1168.8-56.9-14.2000118.5
677M33.6Very low35.9Very low196 Ų196143.2 Ų143.297%0.96680%0.802SS**  trans-140.4116.4139.5-67.6-167.690.800109.7
678V39.3Very low35.9Very low137 Ų137142.3 Ų142.383%0.8381%0.806SS**  trans-106.8146.7162.8-178.30000106.7
679E35.9Very low36.1Very low168 Ų168138.7 Ų138.779%0.78580%0.804SS**  trans118113.6161.3-61-166.4166.200116.6
680D34.3Very low36.2Very low141 Ų141135.8 Ų135.875%0.75480%0.797SS**  trans74.698.7140-59.3-11.2000121.2
681V41Very low36.3Very low150 Ų150134.4 Ų134.491%0.90979%0.794SS**  trans-141.3121.8139.3-175.40000110.1
682S37Very low36.5Very low91 Ų91137.8 Ų137.864%0.63680%0.8SS**  trans-87.2163.8173.354.90000112.5
683T36.5Very low36.5Very low114 Ų114139.3 Ų139.370%0.69980%0.797SS**  trans67.6134.3156.351.30000116.8
684D37.9Very low36.8Very low136 Ų136136.1 Ų136.173%0.72779%0.793SS**  cis-167.4173.56.9-91.3-30.4000108.5
685D40.6Very low36.9Very low137 Ų137135.9 Ų135.973%0.73378%0.784SS**  trans92.494.4153.9-62-18.2000121.6
686D38.5Very low37Very low137 Ų137141.4 Ų141.473%0.73379%0.793SS**  60.2110.9111.5-71.6-10.5000121.8
687T38.8Very low37.3Very low125 Ų125138.3 Ų138.377%0.76779%0.789SS**  153.4124.7102.743.60000115.2
688S36.7Very low37.3Very low111 Ų111138.8 Ų138.878%0.77679%0.785SS**  trans63.3142.8141.577.30000119.8
689S38Very low37.2Very low105 Ų105141.7 Ų141.773%0.73479%0.79SS**  cis-176168.84.347.50000109.9
690S38.1Very low37Very low110 Ų110140.4 Ų140.477%0.76979%0.788SS**  trans87.3100.9167.975.40000117.1
691L36.3Very low37.1Very low165 Ų165145.1 Ų145.186%0.86480%0.797SS**  69102.865.2-68.3171.8000115
692N37.5Very low36.8Very low165 Ų165145.3 Ų145.388%0.88279%0.792SS**  -173147.8108.7-120.1-12.9000114.3
693E33.2Very low36.8Very low174 Ų174144.5 Ų144.581%0.81380%0.798SS**  trans-84.2156.1-169.1-57.3179.8135.800115.4
694G41.9Very low36.9Very low79 Ų79149.9 Ų149.981%0.81481%0.805SS**  trans-167.8103.7163.800000112.9
695K34.2Very low36.8Very low174 Ų174150.7 Ų150.776%0.75781%0.81SS**  trans-71.7148.7-176.3-68.2165.8174.8164.90113.6
696F36.9Very low36.9Very low202 Ų202149.5 Ų149.589%0.88681%0.809SS**  171.9131.6111.5-102.3-82.3000115.2
697A36.5Very low37.1Very low88 Ų88150 Ų15073%0.72782%0.816SS**  trans57.8104.6153.900000121.6
698K35.4Very low37.1Very low206 Ų206149.2 Ų149.290%0.89682%0.817SS**  68.9104.377.4-85.2-170.5177.4179.50117.3
699Q36.4Very low37.3Very low198 Ų198149.7 Ų149.793%0.92582%0.817SS**  -174.6119.1115.5-102.9174-6.100111.6
700N30.5Very low37.6Very low141 Ų141150.9 Ų150.975%0.75482%0.822SS**  trans-103.2148.1169.3-88.6-18.7000108.7
701Y37.8Very low37.5Very low239 Ų239153 Ų15394%0.93783%0.825SS**  trans-152123.6140.5-106-79.2000111.1
702I34.9Very low37.6Very low155 Ų155152.9 Ų152.980%0.79583%0.825SS**  trans-106.3146.5173.6-68.5167.5000107
703G36.7Very low37.7Very low74 Ų74149.6 Ų149.676%0.76382%0.821SS**  trans164.282.2160.600000119.3
704R37.2Very low37.9Very low227 Ų227148.9 Ų148.986%0.85782%0.822SS**  trans8.7134.3145.1-69.9-179.9177.3-176.5-1.2123.3
705N36Very low37.9Very low153 Ų153151.2 Ų151.282%0.81882%0.822SS**  78.2149.3129.7-72.91.9000124.3
706P42.7Very low37.9Very low111 Ų111152.1 Ų152.172%0.72183%0.826SS**  trans-116.4156.9-159.739.9-25.4000115.4
707V43.4Very low38Very low147 Ų147149.5 Ų149.589%0.89183%0.827SS**  trans-153.4143.5157.6-177.50000110.4
708S37.9Very low37.9Very low110 Ų110153 Ų15377%0.76983%0.834SS**  trans-62.7169.6-176.1-26.20000117.1
709P41.7Very low38.1Very low120 Ų120155.4 Ų155.478%0.77984%0.837SS**  trans-106.1177.8-163.641.3-33.2000115
710P43.8Very low38.1Very low131 Ų131152 Ų15285%0.85184%0.835SS**  trans-140.5164.2140.233.7-15.8000116.1
711N36Very low38.7Very low153 Ų153149 Ų14982%0.81884%0.838SS**  trans-64150.4177-69.8-41.1000114.4
712D40Very low38.6Very low163 Ų163150 Ų15087%0.87284%0.84SS**  178.4143119.5-100.1-23.7000115.7
713A39.1Very low38.9Very low96 Ų96146 Ų14679%0.79384%0.838SS**  trans69.2124.9143.600000124
714L37.6Very low39Very low159 Ų159154.8 Ų154.883%0.83285%0.848SS**  trans-65.7168.9166.8-71.9154.4000114.1
715P40.3Very low39Very low128 Ų128147.4 Ų147.483%0.83184%0.842SS**  -144.1159.9109.633.1-15.5000116.9
716K34.8Very low39.2Very low193 Ų193147.4 Ų147.484%0.83985%0.847SS**  trans-81.7151.3179-60.7171.2175.91750112.6
717T39.3Very low38.8Very low148 Ų148152.4 Ų152.491%0.90885%0.852SS**  trans-159.7146.9136.147.40000113
718N35.1Very low38.6Very low161 Ų161152.2 Ų152.286%0.86185%0.851SS**  trans-72.7156-168.2-65.1-42.8000116.8
719R39.9Very low38.5Very low257 Ų257153.3 Ų153.397%0.9785%0.848SS**  trans-151.8127.4137.5-108.3177.5-175.1-178.31.6111.4
720S36.2Very low38.4Very low125 Ų125155.1 Ų155.187%0.87485%0.851SS**  trans-93.7150.6-179.147.20000111.9
721G41.6Very low38.2Very low80 Ų80154.2 Ų154.283%0.82584%0.843SS**  trans-163116.1173.500000111.9
722R37Very low38.1Very low259 Ų259152.7 Ų152.798%0.97784%0.844SS**  trans-63.9154.6-172.1-78.1164.8157174.5-5.7116.1
723G40Very low37.9Very low72 Ų72149 Ų14974%0.74285%0.845SS**  trans168.998145.500000117.7
724R39.8Very low37.7Very low258 Ų258148.2 Ų148.297%0.97485%0.846SS**  trans32.8128.9147.3-61.7177.8173.4-170.9-3.1119.2
725G35.8Very low37.4Very low72 Ų72146.7 Ų146.774%0.74285%0.849SS**  cis108.896.419.500000111.7
726V40.7Very low37.5Very low152 Ų152146.2 Ų146.292%0.92185%0.848SS**  trans-153.3126.3149.2179.60000109.3
727R33.9Very low37.4Very low216 Ų216149.1 Ų149.182%0.81585%0.854SS**  trans-93.4151.5171.5-85.7172.8151.7172.8-7.4110.1
728T40.6Very low37.3Very low144 Ų144146 Ų14688%0.88385%0.851SS**  trans-157.6122.8130.342.80000110.6
729D34.7Very low37.4Very low132 Ų132150.4 Ų150.471%0.70686%0.856SS**  trans-74.2168166.3-66.8-57.2000112.1
730L40.3Very low37.2Very low158 Ų158141.6 Ų141.683%0.82785%0.845SS**  trans160.195.2141-83160000109.1
731T39.1Very low37.4Very low113 Ų113144 Ų14469%0.69385%0.848SS**  63.7108.794.263.10000117.6
732S33.8Very low37.1Very low121 Ų121149.2 Ų149.285%0.84685%0.848SS**  trans28.6132.2132.3630000122.2
733G35.5Very low37.1Very low86 Ų86149 Ų14989%0.88785%0.847SS**  trans142135.8138.900000115.9
734G34.8Very low36.8Very low78 Ų78156.9 Ų156.980%0.80485%0.854SS**  trans12581.8146.300000117.9
735S33Very low36.9Very low128 Ų128151.9 Ų151.990%0.89585%0.852SS**  trans-62.9134.3158.1-172.20000111.1
736S40.6Very low36.9Very low118 Ų118151.5 Ų151.583%0.82585%0.848SS**  trans-158.9135.9153.3590000113.1
737R34.4Very low36.8Very low253 Ų253150.5 Ų150.596%0.95585%0.845SS**  trans-75.9144.6178.4-70164.6153.5161.5-6.9110.9
738G37.5Very low37.2Very low82 Ų82150.1 Ų150.185%0.84585%0.849SS**  trans-147.4109.1166.100000111.6
739R37Very low37.1Very low255 Ų255149.5 Ų149.596%0.96285%0.848SS**  trans-74.3137.7-179.2-83.6172.4161.3173.8-5.3112.4
740G35.6Very low37.2Very low72 Ų72146.4 Ų146.474%0.74285%0.847SS**  85.9119.8119.800000119.3
741N39.2Very low36.8Very low175 Ų175144.4 Ų144.494%0.93685%0.846SS**  -157.4137110.8-121.7-11000113.4
742K35.7Very low36.6Very low189 Ų189148 Ų14882%0.82286%0.855SS**  trans-83.2145.8-179.2-69.6170172.6173.10110.9
743R37.8Very low36.4Very low256 Ų256151.4 Ų151.497%0.96686%0.857SS**  trans-142.6134.6133.9-81-163.8170.3177.6-3.8110.1
744R33.5Very low36.3Very low236 Ų236152.8 Ų152.889%0.89185%0.849SS**  trans-135.2126.7-164.9-164.7-171-160.8-168.75.3107.2
745V42.3Very low36.1Very low153 Ų153156.3 Ų156.393%0.92785%0.85SS**  trans-154.6120.6160.6-174.50000103.4
746G35.8Very low36Very low64 Ų64157.3 Ų157.366%0.6685%0.845SS**  cis141.2114.49.700000106.2
747P37.7Very low35.7Very low131 Ų131159.4 Ų159.485%0.85185%0.847SS**PPolyproline II helixtrans-103.4144176.434.7-25.9000111.8
748K43.1Very low35.5Very low208 Ų208151.3 Ų151.390%0.90484%0.842SS**PPolyproline II helixtrans-97.4148170.2-88.2-174.3175.6-1800110.9
749P36.8Very low35.3Very low132 Ų132152.6 Ų152.686%0.85783%0.83SS**PPolyproline II helixtrans-102.1162.1-177.139.3-32.1000113.3
750G37.1Very low35.3Very low67 Ų67146.6 Ų146.669%0.69182%0.816SS**  trans169.888.8167.900000109.3
751S32.5Very low35.5Very low116 Ų116152.3 Ų152.381%0.81182%0.816SS**  70.7100.494690000114
752Q34.8Very low35.8Very low189 Ų189146.7 Ų146.788%0.88379%0.785SS**  -170.8114.7122.9-102170.1800109.4
753Q29.6Very low36.6Very low191 Ų191143.5 Ų143.589%0.89378%0.777SS**  trans-73.6123.5163.6-78.6167.4-45.500108
754T34.6Very low37.4Very low116 Ų116132.5 Ų132.571%0.71274%0.736SS**  trans-127.3111.815451.10000106.9N756T754-N756 PolarHBondContact O-N 3.49Å
755N29.2Very low38.7Very low152 Ų152126 Ų12681%0.81372%0.719SS**  trans-53.8122.9161.8-62.6-29.8000108.1
756N32.2Very low39.6Very low149 Ų149121.3 Ų121.380%0.79769%0.687SS**  trans-135.3114.7160.4-90.5-16.8000107T754T754-N756 PolarHBondContact O-N 3.49Å
757D33Very low40.1Very low161 Ų161127 Ų12786%0.86169%0.688SS**  trans-52.6138.3173-65.2-57.7000110.8D759D757-D759 PolarHBondContact O-N 2.92Å; D757-D759 VanDerWaalsContact O-N 3.09Å
758G29.9Very low40.7Very low83 Ų83123.3 Ų123.386%0.85666%0.657SS**  trans-68.5101.7-172.800000112.9
759D33.1Very low40.6Very low110 Ų110122.8 Ų122.859%0.58866%0.655SS**  trans-96.998162-159.319.9000106.6D757 R761D757-D759 PolarHBondContact O-N 2.92Å; D757-D759 VanDerWaalsContact O-N 3.09Å; D759-R761 PolarHBondContact O-N 3.47Å; D759-R761 IonicContact OD2-CZ 3.92Å; D759-R761 IonicContact OD2-NE 3.63Å; D759-R761 PolarHBondContact OD2-NE 3.05Å; D759-R761 IonicContact OD2-NH2 3.85Å; D759-R761 PolarHBondContact OD2-NH2 3.17Å
760D38.1Very low40.8Very low128 Ų128122.4 Ų122.468%0.68464%0.636SS**  trans-66.470.3172.7-83-31.6000109.1N3 L762N3-D760 PolarHBondContact ND2-OD2 2.85Å; N3-D760 VanDerWaalsContact ND2-OD2 3.08Å; D760-L762 PolarHBondContact O-N 3.31Å
761R38.7Very low40.5Very low193 Ų193130.1 Ų130.173%0.72865%0.645SS**  trans-75.1105170.7-73.4-175.6-178-174.6-3.6108.2D759 D763D759-R761 PolarHBondContact O-N 3.47Å; D759-R761 IonicContact OD2-CZ 3.92Å; D759-R761 IonicContact OD2-NE 3.63Å; D759-R761 PolarHBondContact OD2-NE 3.05Å; D759-R761 IonicContact OD2-NH2 3.85Å; D759-R761 PolarHBondContact OD2-NH2 3.17Å; R761-D763 PolarHBondContact O-N 2.94Å
762L46.2Very low40.2Very low57 Ų57133.6 Ų133.630%0.29865%0.645SS.*  trans-53.3109.9156.4-69.8168.2000107.1V10 D760 F764V10-L762 HydrophobicContact CG2-CD1 4.25Å; D760-L762 PolarHBondContact O-N 3.31Å; L762-F764 HydrophobicContact CB-CD2 4.19Å; L762-F764 HydrophobicContact CB-CE2 3.71Å; L762-F764 HydrophobicContact CB-CZ 4.26Å; L762-F764 HydrophobicContact CD1-CE2 4.38Å; L762-F764 HydrophobicContact CD1-CZ 4.32Å; L762-F764 WeakPolarHBondContact O-CD2 3.49Å; L762-F764 PolarHBondContact O-N 3.48Å
763D51.8Low39.9Very low121 Ų121131.1 Ų131.165%0.64764%0.643SS**  trans-67.9105175.6-141.85.6000106.9K293 R761K293-D763 PolarHBondContact NZ-O 3.09Å; R761-D763 PolarHBondContact O-N 2.94Å
764F55.3Low39.8Very low25 Ų25133.4 Ų133.411%0.1165%0.653CS.*  trans-89.3114.2176-77.1-84.2000107.9V10 E286 R288 E291 K293 L762V10-F764 HydrophobicContact CG1-CZ 4.32Å; V10-F764 HydrophobicContact CG2-CZ 4.12Å; E286-F764 HydrophobicContact CB-CE1 4.37Å; R288-F764 HydrophobicContact CB-CE1 3.78Å; R288-F764 HydrophobicContact CB-CE2 3.93Å; R288-F764 HydrophobicContact CB-CZ 3.46Å; R288-F764 VanDerWaalsContact CB-CZ 3.46Å; R288-F764 HydrophobicContact CG-CE2 4.38Å; R288-F764 HydrophobicContact CG-CZ 4.32Å; E291-F764 HydrophobicContact CB-CB 4.02Å; E291-F764 HydrophobicContact CB-CD1 4.34Å; E291-F764 HydrophobicContact CB-CG 4.25Å; K293-F764 HydrophobicContact CB-CD1 4.01Å; K293-F764 HydrophobicContact CB-CE1 4.34Å; L762-F764 HydrophobicContact CB-CD2 4.19Å; L762-F764 HydrophobicContact CB-CE2 3.71Å; L762-F764 HydrophobicContact CB-CZ 4.26Å; L762-F764 HydrophobicContact CD1-CE2 4.38Å; L762-F764 HydrophobicContact CD1-CZ 4.32Å; L762-F764 WeakPolarHBondContact O-CD2 3.49Å; L762-F764 PolarHBondContact O-N 3.48Å
765D61.2Low40.1Very low100 Ų100134.3 Ų134.354%0.53565%0.65SS.*  trans-77.8-23.5-167.7-63.7-44.8000113.6
766F60.1Low40.6Very low55 Ų55133.3 Ų133.324%0.24164%0.642CS.*EExtended strand (participates in β ladder)trans-125.4115-168.3-57.5-73.9000112.8P251 Y260 E291 F292P251-F766 HydrophobicContact CG-CD2 4.22Å; P251-F766 HydrophobicContact CG-CE1 4.48Å; P251-F766 HydrophobicContact CG-CE2 3.52Å; P251-F766 HydrophobicContact CG-CZ 3.67Å; Y260-F766 AromaticContact CE1-CD1 3.68Å; Y260-F766 HydrophobicContact CE1-CD1 3.68Å; Y260-F766 AromaticContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CG 4.4Å; Y260-F766 HydrophobicContact CE2-CB 4.28Å; Y260-F766 HydrophobicContact CE2-CD1 4.43Å; Y260-F766 AromaticContact CZ-CD1 3.59Å; Y260-F766 WeakPolarHBondContact OH-CD1 3.26Å; E291-F766 WeakPolarHBondContact CA-O 3.31Å; F292-F766 HydrophobicContact CD1-CB 4.08Å; F292-F766 HydrophobicContact CE1-CB 3.59Å; F292-F766 HydrophobicContact CE1-CG 4.37Å; F292-F766 HydrophobicContact CE2-CB 4.37Å; F292-F766 HydrophobicContact CE2-CD2 4.1Å; F292-F766 HydrophobicContact CE2-CG 4.44Å; F292-F766 HydrophobicContact CZ-CB 3.74Å; F292-F766 HydrophobicContact CZ-CD2 4.14Å; F292-F766 HydrophobicContact CZ-CG 4.02Å; F292-F766 PolarHBondContact N-O 3.34Å
767R47.6Very low41.1Very low182 Ų182132.4 Ų132.469%0.68763%0.633SS**EExtended strand (participates in β ladder)trans-118.7129.9168.6-170.6179-178157.9-1.9109.8E291 K769E291-R767 HydrophobicContact CG-CB 4.15Å; E291-R767 HydrophobicContact CG-CG 4.12Å; E291-R767 WeakPolarHBondContact OE1-CD 3.14Å; E291-R767 IonicContact OE1-CZ 2.75Å; E291-R767 IonicContact OE1-NE 3.17Å; E291-R767 IonicContact OE1-NH1 2.79Å; R767-K769 PolarHBondContact O-N 3.19Å
768R50.7Low41.6Very low54 Ų54130.8 Ų130.820%0.20462%0.62CS.*  trans-59.7111.3173.6-170.6169.6-179.3177.97.4109.8D234 F235 D237 R770D234-R768 PolarHBondContact O-NH2 3.19Å; F235-R768 PolarHBondContact O-NH1 2.89Å; D237-R768 WeakPolarHBondContact OD1-CD 3.45Å; D237-R768 IonicContact OD1-CZ 3.22Å; D237-R768 IonicContact OD1-NE 2.59Å; D237-R768 IonicContact OD1-NH1 3.44Å; D237-R768 PolarHBondContact OD1-NH1 3.47Å; R768-R770 HydrophobicContact CG-CG 4.34Å; R768-R770 PolarHBondContact O-N 3.07Å
769K40.2Very low42.3Very low197 Ų197133.8 Ų133.886%0.85761%0.605SS**  trans-71.576.1168.5-73.4-177.9-178.4172.20108.9R767 R771R767-K769 PolarHBondContact O-N 3.19Å; K769-R771 PolarHBondContact O-N 3.29Å
770R41.1Very low42.9Very low125 Ų125135.3 Ų135.347%0.47261%0.606SS.*  trans-65.2101162-86-170.3173.6-178.80.6106.9D206 R768 K772D206-R770 IonicContact OD1-CZ 3.81Å; D206-R770 IonicContact OD1-NH1 2.61Å; D206-R770 PolarHBondContact OD1-NH1 2.72Å; D206-R770 IonicContact OD1-NH2 3.32Å; D206-R770 PolarHBondContact OD1-NH2 3.32Å; D206-R770 IonicContact OD2-NH1 3.59Å; R768-R770 HydrophobicContact CG-CG 4.34Å; R768-R770 PolarHBondContact O-N 3.07Å; R770-K772 PolarHBondContact O-N 3.32Å; R770-K772 VanDerWaalsContact O-N 3.1Å
771R29.8Very low43.2Very low229 Ų229135.9 Ų135.986%0.86460%0.6SS**  trans-59.8113158-85.1-176.7169.8172.3-2.5105.7K769 V773K769-R771 PolarHBondContact O-N 3.29Å; R771-V773 VanDerWaalsContact C-N 3.3Å; R771-V773 PolarHBondContact O-N 2.87Å
772K26.3Very low43.6Very low189 Ų189131.5 Ų131.582%0.82259%0.591SS**  trans-57.7104.2156.1-89.7-176.2171.4-175.30105.4R770 E774R770-K772 PolarHBondContact O-N 3.32Å; R770-K772 VanDerWaalsContact O-N 3.1Å; K772-E774 PolarHBondContact O-N 3.33Å
773V28.4Very low43.4Very low137 Ų137137.7 Ų137.783%0.8362%0.615SS**  trans-80.1103.1157.1-178.50000103.4R771R771-V773 VanDerWaalsContact C-N 3.3Å; R771-V773 PolarHBondContact O-N 2.87Å
774E28Very low42.6Very low238 Ų238139.2 Ų139.2100%1.11261%0.612SS**  trans-720160.7-77.8-177.3167.600110.2K772K772-E774 PolarHBondContact O-N 3.33Å

Retrieved 774 of 774 residues in 1464.1 ms (Link to these results)