A0A077Z0G7_TRITR Loading...

Adenosine deaminase

AlphaFold DB , UniProt , Accession A0A077Z0G7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M81.8Confident95.1Very high40 Ų4023.6 Ų23.620%0.19713%0.131CC..  0-41.80-60-46.2-81.100113.1H3 L4 F305 K309 L319 W348M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 3.13Å; M1-H3 VanDerWaalsContact O-N 3.1Å; M1-L4 HydrophobicContact CE-CD1 3.84Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L4 HydrophobicContact SD-CD1 3.79Å; M1-F305 HydrophobicContact CE-CD2 4.19Å; M1-K309 HydrophobicContact CE-CD 4.31Å; M1-K309 HydrophobicContact CG-CD 3.82Å; M1-K309 HydrophobicContact SD-CD 4.29Å; M1-L319 HydrophobicContact CE-CB 4.41Å; M1-L319 HydrophobicContact CE-CD1 3.47Å; M1-L319 VanDerWaalsContact CE-CD1 3.47Å; M1-W348 HydrophobicContact CE-CH2 3.99Å; M1-W348 HydrophobicContact CE-CZ3 4.11Å
2A88.5Confident95.4Very high59 Ų5923.3 Ų23.349%0.48813%0.127SC..THydrogen-bonded Turntrans-48.2-41.5-176.100000115.2L4 K6 N89 N302A2-L4 PolarHBondContact O-N 3.17Å; A2-K6 PolarHBondContact O-NZ 3.09Å; A2-N89 VanDerWaalsContact O-CB 3.3Å; A2-N89 WeakPolarHBondContact O-CB 3.46Å; A2-N302 WeakPolarHBondContact CA-OD1 3.38Å
3H92.6Very high95.7Very high147 Ų14721.6 Ų21.668%0.68112%0.118SC*.THydrogen-bonded Turntrans-81.3-2.7-178.565.9-96.9000115.8M1 N89M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 3.13Å; M1-H3 VanDerWaalsContact O-N 3.1Å; H3-N89 PolarHBondContact O-ND2 3.05Å
4L94.4Very high95.8Very high8 Ų820.6 Ų20.64%0.04211%0.113CC..SBendtrans-83.8140.9177.6-65177.1000110.2M1 A2 K6 N89 W348M1-L4 HydrophobicContact CE-CD1 3.84Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L4 HydrophobicContact SD-CD1 3.79Å; A2-L4 PolarHBondContact O-N 3.17Å; L4-K6 PolarHBondContact O-N 3.43Å; L4-K6 PolarHBondContact O-NZ 3.22Å; L4-N89 PolarHBondContact N-ND2 3.21Å; L4-N89 PolarHBondContact O-ND2 2.65Å; L4-W348 HydrophobicContact CB-CD2 4.48Å; L4-W348 HydrophobicContact CB-CZ2 4.02Å; L4-W348 HydrophobicContact CD1-CD2 4.18Å; L4-W348 HydrophobicContact CD1-CE3 3.86Å; L4-W348 HydrophobicContact CD1-CH2 4Å; L4-W348 HydrophobicContact CD1-CZ2 4.27Å; L4-W348 HydrophobicContact CD1-CZ3 3.78Å
5P96.8Very high96Very high1 Ų119.3 Ų19.31%0.00611%0.105CC..  trans-69.1134.6-178.229.3-36.2000110.3N89 I91 Q347 W348P5-N89 WeakPolarHBondContact CA-O 3.43Å; P5-I91 HydrophobicContact CB-CB 4.5Å; P5-I91 HydrophobicContact CB-CD1 3.72Å; P5-I91 HydrophobicContact CB-CG1 3.92Å; P5-I91 HydrophobicContact CB-CG2 3.76Å; P5-Q347 HydrophobicContact CG-CB 3.73Å; P5-Q347 VanDerWaalsContact CG-OE1 3.26Å; P5-W348 PolarHBondContact O-NE1 3.38Å
6K98.2Very high96.1Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-116.3160.4179.7-57178.3-162.974.40110.6A2 L4 N88 N89 V90 I91 M301 N302 F305A2-K6 PolarHBondContact O-NZ 3.09Å; L4-K6 PolarHBondContact O-N 3.43Å; L4-K6 PolarHBondContact O-NZ 3.22Å; K6-N88 PolarHBondContact NZ-O 3.48Å; K6-N89 PolarHBondContact N-O 2.88Å; K6-V90 HydrophobicContact CB-CG2 4.06Å; K6-V90 WeakPolarHBondContact O-CA 3.46Å; K6-I91 WeakPolarHBondContact O-CG1 3.3Å; K6-I91 PolarHBondContact O-N 2.99Å; K6-M301 HydrophobicContact CB-CE 3.95Å; K6-M301 HydrophobicContact CD-CB 3.92Å; K6-M301 HydrophobicContact CD-CE 4.19Å; K6-N302 WeakPolarHBondContact CE-OD1 3.35Å; K6-N302 PolarHBondContact NZ-OD1 2.97Å; K6-F305 HydrophobicContact CB-CZ 4.32Å; K6-F305 HydrophobicContact CD-CD1 4.45Å; K6-F305 HydrophobicContact CD-CD2 4.05Å; K6-F305 HydrophobicContact CD-CE1 4.26Å; K6-F305 HydrophobicContact CD-CE2 3.82Å; K6-F305 HydrophobicContact CD-CG 4.36Å; K6-F305 HydrophobicContact CD-CZ 3.94Å; K6-F305 HydrophobicContact CG-CD2 4.39Å; K6-F305 HydrophobicContact CG-CE2 3.71Å; K6-F305 HydrophobicContact CG-CZ 3.8Å
7I98.7Very high96.3Very high2 Ų218.1 Ų18.11%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-131134.4173.3-65.4174.7000107.1L9 I91 Y92 V323 A326 A327 L340 V344I7-L9 HydrophobicContact CG2-CD2 3.81Å; I7-L9 HydrophobicContact CG2-CG 4.19Å; I7-I91 HydrophobicContact CG1-CG1 4.4Å; I7-Y92 WeakPolarHBondContact CA-O 3.47Å; I7-Y92 HydrophobicContact CG2-CD1 3.75Å; I7-V323 HydrophobicContact CB-CG1 4.41Å; I7-V323 HydrophobicContact CD1-CG1 4.17Å; I7-V323 HydrophobicContact CG1-CG1 4.13Å; I7-A326 HydrophobicContact CB-CB 3.9Å; I7-A326 HydrophobicContact CG2-CB 3.64Å; I7-A327 HydrophobicContact CD1-CB 3.44Å; I7-A327 VanDerWaalsContact CD1-CB 3.44Å; I7-L340 HydrophobicContact CD1-CD1 3.98Å; I7-L340 HydrophobicContact CD1-CD2 3.76Å; I7-L340 HydrophobicContact CD1-CG 3.78Å; I7-L340 HydrophobicContact CG1-CD1 4.41Å; I7-V344 HydrophobicContact CD1-CG2 3.83Å; I7-V344 HydrophobicContact CG1-CG2 4.47Å
8E98.9Very high96.4Very high0 Ų021.7 Ų21.70%011%0.113CC..EExtended strand (participates in β ladder)trans-129115.9-178.8-179.9162.4-13300110.5I11 Q85 V90 Y92 S93 E94 N290 T291 M301E8-I11 HydrophobicContact CG-CB 4.13Å; E8-I11 HydrophobicContact CG-CG2 3.83Å; E8-Q85 PolarHBondContact OE2-NE2 3.04Å; E8-V90 HydrophobicContact CB-CG1 4.18Å; E8-Y92 PolarHBondContact N-O 3.32Å; E8-Y92 VanDerWaalsContact N-O 3.14Å; E8-S93 CarbonylContact O-C 3.52Å; E8-S93 WeakPolarHBondContact O-CA 3.49Å; E8-S93 PolarHBondContact O-OG 2.88Å; E8-E94 PolarHBondContact O-N 3.36Å; E8-N290 HydrophobicContact CG-CB 4.22Å; E8-T291 WeakPolarHBondContact OE1-CB 3.49Å; E8-T291 WeakPolarHBondContact OE1-CG2 3.37Å; E8-T291 PolarHBondContact OE1-N 2.92Å; E8-T291 PolarHBondContact OE1-OG1 2.83Å; E8-M301 HydrophobicContact CB-CE 4.33Å; E8-M301 HydrophobicContact CB-CG 4.25Å; E8-M301 HydrophobicContact CB-SD 4.09Å; E8-M301 HydrophobicContact CG-CG 4.39Å; E8-M301 HydrophobicContact CG-SD 4.07Å; E8-M301 WeakPolarHBondContact OE2-CG 3.36Å
9L98.9Very high96.5Very high0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-103.2-9.6-176-57.1-175.9000113I7 Y92 E94 R96 N290 A326 A330I7-L9 HydrophobicContact CG2-CD2 3.81Å; I7-L9 HydrophobicContact CG2-CG 4.19Å; L9-Y92 HydrophobicContact CD2-CD1 4.15Å; L9-Y92 HydrophobicContact CD2-CE1 3.74Å; L9-E94 HydrophobicContact CD2-CG 4.23Å; L9-R96 PolarHBondContact O-NH2 2.97Å; L9-N290 PolarHBondContact N-OD1 2.93Å; L9-A326 HydrophobicContact CD1-CB 4.05Å; L9-A326 HydrophobicContact CG-CB 4.27Å; L9-A330 HydrophobicContact CD2-CB 4.33Å
10H98.9Very high96.6Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-139.494.8-175.1-166.1123000113.1H12 R96 H210 H234 E256 N290 D292H10-H12 AromaticContact NE2-NE2 3.53Å; H10-R96 PolarHBondContact CE1-NH1 3.33Å; H10-R96 VanDerWaalsContact CE1-NH1 3.31Å; H10-R96 VanDerWaalsContact ND1-CZ 3.35Å; H10-R96 PolarHBondContact ND1-NH1 3.15Å; H10-R96 PolarHBondContact ND1-NH2 3.16Å; H10-H210 AromaticContact CE1-CD2 3.85Å; H10-H210 AromaticContact CE1-CE1 3.35Å; H10-H210 PolarHBondContact CE1-CE1 2.57Å; H10-H210 AromaticContact CE1-ND1 4Å; H10-H210 AromaticContact CE1-NE2 3.25Å; H10-H210 PolarHBondContact CE1-NE2 3Å; H10-H210 VanDerWaalsContact CE1-NE2 3.25Å; H10-H210 AromaticContact NE2-CE1 3.55Å; H10-H210 AromaticContact NE2-NE2 3.15Å; H10-H210 PolarHBondContact NE2-NE2 3.49Å; H10-H210 VanDerWaalsContact NE2-NE2 3.15Å; H10-H234 AromaticContact CE1-NE2 3.89Å; H10-H234 AromaticContact NE2-NE2 3.87Å; H10-E256 HydrophobicContact CB-CB 3.74Å; H10-E256 HydrophobicContact CB-CG 4.4Å; H10-E256 IonicContact CE1-OE2 3.32Å; H10-E256 IonicContact CG-OE2 3.81Å; H10-E256 IonicContact ND1-OE2 3.99Å; H10-E256 PolarHBondContact ND1-OE2 3.02Å; H10-N290 HydrophobicContact CB-CB 3.76Å; H10-N290 PolarHBondContact N-OD1 3.43Å; H10-N290 VanDerWaalsContact N-OD1 3.09Å; H10-N290 WeakPolarHBondContact O-CB 3.41Å; H10-D292 IonicContact CD2-OD1 2.69Å; H10-D292 PolarHBondContact CD2-OD1 3.12Å; H10-D292 VanDerWaalsContact CD2-OD1 3.28Å; H10-D292 IonicContact NE2-OD1 3.15Å; H10-D292 PolarHBondContact NE2-OD1 3.44Å; H10-D292 VanDerWaalsContact NE2-OD1 3.16Å; H10-D292 PolarHBondContact O-N 3.17Å
11I98.8Very high96.7Very high3 Ų324.9 Ų24.92%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-155132.3179.2179.2168.2000108.8E8 A16 Y81 L95 R96 T291 D292 P294E8-I11 HydrophobicContact CG-CB 4.13Å; E8-I11 HydrophobicContact CG-CG2 3.83Å; I11-A16 HydrophobicContact CD1-CB 3.98Å; I11-A16 HydrophobicContact CG1-CB 3.99Å; I11-Y81 HydrophobicContact CD1-CE2 3.62Å; I11-Y81 HydrophobicContact CG1-CE2 4.12Å; I11-Y81 HydrophobicContact CG2-CE2 4.26Å; I11-Y81 WeakPolarHBondContact CG2-OH 3.27Å; I11-L95 HydrophobicContact CG2-CB 4.33Å; I11-L95 CarbonylContact O-C 3.26Å; I11-L95 VanDerWaalsContact O-CA 3.31Å; I11-L95 WeakPolarHBondContact O-CA 3.26Å; I11-R96 WeakPolarHBondContact O-CG 3.38Å; I11-R96 PolarHBondContact O-N 3.09Å; I11-T291 WeakPolarHBondContact CD1-OG1 3.31Å; I11-D292 WeakPolarHBondContact CA-O 3.41Å; I11-P294 HydrophobicContact CD1-CG 4.03Å; I11-P294 HydrophobicContact CG1-CG 4.47Å
12H98.7Very high97.5Very high19 Ų1923 Ų239%0.08812%0.12CC..EExtended strand (participates in β ladder)trans-91.1125.9179.2-59.9-101.9000109.6H10 D14 G15 A16 R96 H210 D292 D293H10-H12 AromaticContact NE2-NE2 3.53Å; H12-D14 VanDerWaalsContact C-N 3.25Å; H12-D14 PolarHBondContact O-N 3.5Å; H12-G15 CarbonylContact O-C 3.5Å; H12-G15 VanDerWaalsContact O-C 3.3Å; H12-G15 WeakPolarHBondContact O-CA 3.41Å; H12-G15 PolarHBondContact O-N 3.36Å; H12-A16 WeakPolarHBondContact O-CB 3.4Å; H12-A16 PolarHBondContact O-N 2.67Å; H12-R96 CarbonylContact C-O 3.48Å; H12-R96 VanDerWaalsContact CA-O 3.26Å; H12-R96 WeakPolarHBondContact CA-O 3.41Å; H12-R96 HydrophobicContact CB-CG 4.34Å; H12-R96 VanDerWaalsContact CE1-CD 3.45Å; H12-R96 WeakPolarHBondContact CE1-CD 3.2Å; H12-R96 WeakPolarHBondContact ND1-CG 3.42Å; H12-H210 AromaticContact CE1-CE1 3.49Å; H12-H210 PolarHBondContact CE1-CE1 3.25Å; H12-H210 VanDerWaalsContact CE1-CE1 3.49Å; H12-H210 AromaticContact CE1-NE2 3.4Å; H12-H210 PolarHBondContact CE1-NE2 2.76Å; H12-H210 AromaticContact NE2-CE1 3.68Å; H12-H210 AromaticContact NE2-NE2 3.24Å; H12-H210 PolarHBondContact NE2-NE2 2.91Å; H12-D292 IonicContact CD2-OD1 3.38Å; H12-D292 PolarHBondContact CD2-OD1 2.93Å; H12-D292 PolarHBondContact N-O 2.97Å; H12-D292 IonicContact NE2-OD1 2.9Å; H12-D292 PolarHBondContact NE2-OD1 3.18Å; H12-D292 VanDerWaalsContact NE2-OD1 3.16Å; H12-D293 WeakPolarHBondContact CB-OD1 3.25Å; H12-D293 IonicContact CD2-OD1 3.51Å; H12-D293 PolarHBondContact CD2-OD1 2.8Å; H12-D293 IonicContact CG-OD1 3.7Å
13L98.8Very high98Very high2 Ų220.3 Ų20.31%0.0110%0.098CC..SBendtrans-59.8-43.3-179.8179.964.9000111.2G15 A16 V77 Y81 L95 R96 Y97 I133L13-G15 PolarHBondContact O-N 3.05Å; L13-A16 PolarHBondContact O-N 2.82Å; L13-A16 VanDerWaalsContact O-N 3.09Å; L13-V77 HydrophobicContact CD1-CG1 3.96Å; L13-V77 HydrophobicContact CG-CG1 4.18Å; L13-Y81 HydrophobicContact CD1-CD2 3.98Å; L13-Y81 HydrophobicContact CD1-CG 3.98Å; L13-L95 HydrophobicContact CB-CD1 3.69Å; L13-L95 HydrophobicContact CD1-CD1 4.31Å; L13-L95 HydrophobicContact CD2-CD1 4Å; L13-L95 HydrophobicContact CG-CD1 4.2Å; L13-R96 PolarHBondContact N-O 3.44Å; L13-Y97 HydrophobicContact CD2-CD1 4.47Å; L13-I133 HydrophobicContact CD2-CD1 3.64Å; L13-I133 HydrophobicContact CD2-CG1 3.82Å; L13-I133 HydrophobicContact CD2-CG2 3.93Å
14D97.8Very high98.3Very high8 Ų816.6 Ų16.64%0.0438%0.083CC..THydrogen-bonded Turntrans-74.9-17.6-179.564.5-37.7000111.5H12 I17 F63 I64 L102H12-D14 VanDerWaalsContact C-N 3.25Å; H12-D14 PolarHBondContact O-N 3.5Å; D14-I17 WeakPolarHBondContact O-CD1 3.49Å; D14-F63 VanDerWaalsContact O-CE2 3.26Å; D14-F63 WeakPolarHBondContact O-CE2 3.48Å; D14-I64 HydrophobicContact CB-CD1 3.41Å; D14-I64 VanDerWaalsContact CB-CD1 3.41Å; D14-I64 WeakPolarHBondContact O-CD1 3.4Å; D14-L102 HydrophobicContact CB-CD2 4.16Å
15G98Very high98.5Very high0 Ų016.4 Ų16.40%08%0.082CC..THydrogen-bonded Turntrans-91.10.1164.800000115.6H12 L13 D293 P294 T295H12-G15 CarbonylContact O-C 3.5Å; H12-G15 VanDerWaalsContact O-C 3.3Å; H12-G15 WeakPolarHBondContact O-CA 3.41Å; H12-G15 PolarHBondContact O-N 3.36Å; L13-G15 PolarHBondContact O-N 3.05Å; G15-D293 CarbonylContact O-C 3.53Å; G15-D293 WeakPolarHBondContact O-CA 3.4Å; G15-P294 WeakPolarHBondContact O-CD 3.32Å; G15-P294 VanDerWaalsContact O-N 3.08Å; G15-T295 VanDerWaalsContact C-OG1 3.24Å; G15-T295 VanDerWaalsContact O-CB 3.3Å; G15-T295 WeakPolarHBondContact O-CB 3.42Å; G15-T295 PolarHBondContact O-N 3.4Å; G15-T295 PolarHBondContact O-OG1 3.46Å
16A98.6Very high98.5Very high15 Ų1516.4 Ų16.412%0.1248%0.082CC..SBendtrans-124.533.1-173.700000113.6I11 H12 L13 Y81 P294 T295I11-A16 HydrophobicContact CD1-CB 3.98Å; I11-A16 HydrophobicContact CG1-CB 3.99Å; H12-A16 WeakPolarHBondContact O-CB 3.4Å; H12-A16 PolarHBondContact O-N 2.67Å; L13-A16 PolarHBondContact O-N 2.82Å; L13-A16 VanDerWaalsContact O-N 3.09Å; A16-Y81 HydrophobicContact CB-CD2 4.26Å; A16-Y81 HydrophobicContact CB-CE2 4.34Å; A16-P294 HydrophobicContact CB-CG 4.14Å; A16-T295 PolarHBondContact N-OG1 2.9Å
17I98.6Very high98.5Very high4 Ų421.7 Ų21.72%0.02111%0.105CC..  trans-86135.9-179.3-42.3168.3000109.5D14 H19 T21 I22 F63 L67 V77 T295D14-I17 WeakPolarHBondContact O-CD1 3.49Å; I17-H19 PolarHBondContact O-N 3.43Å; I17-T21 HydrophobicContact CG2-CG2 4.29Å; I17-I22 HydrophobicContact CB-CD1 3.96Å; I17-I22 HydrophobicContact CB-CG1 3.92Å; I17-I22 HydrophobicContact CD1-CG1 4.41Å; I17-I22 HydrophobicContact CG2-CD1 4.2Å; I17-I22 HydrophobicContact CG2-CG1 3.6Å; I17-F63 HydrophobicContact CD1-CD2 4.06Å; I17-L67 HydrophobicContact CD1-CD1 3.48Å; I17-L67 VanDerWaalsContact CD1-CD1 3.48Å; I17-L67 HydrophobicContact CD1-CD2 4.24Å; I17-L67 HydrophobicContact CD1-CG 3.88Å; I17-L67 HydrophobicContact CG1-CD1 4.2Å; I17-V77 HydrophobicContact CG1-CG1 4.08Å; I17-V77 HydrophobicContact CG2-CG1 4.3Å; I17-V77 HydrophobicContact CG2-CG2 3.76Å; I17-T295 PolarHBondContact N-OG1 3.49Å; I17-T295 PolarHBondContact O-OG1 2.99Å; I17-T295 VanDerWaalsContact O-OG1 3.08Å
18R98.5Very high98.5Very high83 Ų8327.4 Ų27.431%0.31313%0.132SC..  trans-61.3133.9174.4-64.9176.7175.7-167.2-9.6110.6D20 T21 I22 V83 T84R18-D20 VanDerWaalsContact C-N 3.27Å; R18-D20 PolarHBondContact O-N 2.68Å; R18-T21 WeakPolarHBondContact O-CB 3.46Å; R18-T21 PolarHBondContact O-N 2.86Å; R18-I22 PolarHBondContact O-N 3.44Å; R18-V83 VanDerWaalsContact NH2-CB 3.32Å; R18-T84 PolarHBondContact NE-OG1 3.32Å; R18-T84 PolarHBondContact NH2-OG1 3.44Å
19H98.4Very high98.4Very high23 Ų2327.7 Ų27.711%0.10613%0.133CC..Hα-helixtrans-55.5-41.4177.6-59.6101.2000112.3I17 T21 I22 V23 T38 F41 R42 T295 D298I17-H19 PolarHBondContact O-N 3.43Å; H19-T21 VanDerWaalsContact C-N 3.34Å; H19-T21 PolarHBondContact O-N 3.44Å; H19-I22 PolarHBondContact O-N 3.49Å; H19-V23 WeakPolarHBondContact O-CG2 3.44Å; H19-V23 PolarHBondContact O-N 2.93Å; H19-T38 HydrophobicContact CB-CG2 3.72Å; H19-F41 HydrophobicContact CB-CD1 4.07Å; H19-F41 HydrophobicContact CB-CE1 4.24Å; H19-F41 AromaticContact CD2-CE1 3.82Å; H19-R42 HydrophobicContact CB-CB 4.36Å; H19-T295 PolarHBondContact NE2-O 2.89Å; H19-D298 IonicContact CE1-OD1 3.31Å
20D98.4Very high98.3Very high104 Ų10434.6 Ų34.656%0.55617%0.166SC*.Hα-helixtrans-61.3-41175.8-74.3-54.2000112.3R18 V23 D24 T38R18-D20 VanDerWaalsContact C-N 3.27Å; R18-D20 PolarHBondContact O-N 2.68Å; D20-V23 PolarHBondContact O-N 3.21Å; D20-D24 VanDerWaalsContact O-CB 3.29Å; D20-D24 WeakPolarHBondContact O-CB 3.36Å; D20-D24 PolarHBondContact O-N 3.31Å; D20-T38 HydrophobicContact CB-CG2 4.35Å; D20-T38 WeakPolarHBondContact OD1-CB 3.39Å; D20-T38 WeakPolarHBondContact OD1-CG2 3.36Å; D20-T38 PolarHBondContact OD1-OG1 2.74Å
21T98.7Very high98.1Very high4 Ų434.9 Ų34.93%0.02517%0.167CC..Hα-helixtrans-67.6-38.9178.5-63.40000111.6I17 R18 H19 D24 L25 R76 V77 E80I17-T21 HydrophobicContact CG2-CG2 4.29Å; R18-T21 WeakPolarHBondContact O-CB 3.46Å; R18-T21 PolarHBondContact O-N 2.86Å; H19-T21 VanDerWaalsContact C-N 3.34Å; H19-T21 PolarHBondContact O-N 3.44Å; T21-D24 PolarHBondContact O-N 3.42Å; T21-L25 HydrophobicContact CG2-CD1 3.79Å; T21-L25 HydrophobicContact CG2-CG 4.24Å; T21-L25 WeakPolarHBondContact O-CB 3.24Å; T21-L25 VanDerWaalsContact O-CG 3.26Å; T21-L25 WeakPolarHBondContact O-CG 3.43Å; T21-L25 PolarHBondContact O-N 3.41Å; T21-R76 PolarHBondContact OG1-NH2 3.24Å; T21-V77 HydrophobicContact CG2-CG2 4.01Å; T21-E80 WeakPolarHBondContact CB-OE2 3.48Å; T21-E80 WeakPolarHBondContact CG2-OE2 3.02Å; T21-E80 VanDerWaalsContact OG1-CD 3.24Å; T21-E80 PolarHBondContact OG1-OE1 3.11Å; T21-E80 PolarHBondContact OG1-OE2 3.23Å
22I98.7Very high98Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-59.8-49.9172.9-65.8163.6000110.3I17 R18 H19 D24 L25 A26 L33 F41 F63 V66 T295I17-I22 HydrophobicContact CB-CD1 3.96Å; I17-I22 HydrophobicContact CB-CG1 3.92Å; I17-I22 HydrophobicContact CD1-CG1 4.41Å; I17-I22 HydrophobicContact CG2-CD1 4.2Å; I17-I22 HydrophobicContact CG2-CG1 3.6Å; R18-I22 PolarHBondContact O-N 3.44Å; H19-I22 PolarHBondContact O-N 3.49Å; I22-D24 VanDerWaalsContact C-N 3.33Å; I22-D24 PolarHBondContact O-N 3.34Å; I22-L25 PolarHBondContact O-N 3.46Å; I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 2.92Å; I22-L33 HydrophobicContact CG2-CD1 4.03Å; I22-L33 HydrophobicContact CG2-CD2 4.25Å; I22-F41 HydrophobicContact CB-CE1 3.92Å; I22-F41 HydrophobicContact CB-CZ 4.16Å; I22-F41 HydrophobicContact CD1-CE1 3.84Å; I22-F41 HydrophobicContact CD1-CZ 4.03Å; I22-F41 HydrophobicContact CG2-CE1 3.76Å; I22-F41 HydrophobicContact CG2-CE2 4.24Å; I22-F41 HydrophobicContact CG2-CZ 3.5Å; I22-F63 HydrophobicContact CD1-CB 3.74Å; I22-F63 HydrophobicContact CD1-CD2 4.25Å; I22-F63 HydrophobicContact CD1-CG 3.98Å; I22-F63 HydrophobicContact CG1-CB 4.14Å; I22-F63 HydrophobicContact CG2-CB 3.66Å; I22-V66 HydrophobicContact CG1-CG2 4.5Å; I22-V66 HydrophobicContact CG2-CG1 4.22Å; I22-V66 HydrophobicContact CG2-CG2 4.45Å; I22-T295 HydrophobicContact CD1-CG2 3.54Å
23V98.7Very high97.9Very high3 Ų338.1 Ų38.12%0.01819%0.189CC..Hα-helixtrans-61.9-42-178.8168.10000111.5H19 D20 K27 L33 Y36 F41H19-V23 WeakPolarHBondContact O-CG2 3.44Å; H19-V23 PolarHBondContact O-N 2.93Å; D20-V23 PolarHBondContact O-N 3.21Å; V23-K27 HydrophobicContact CG1-CD 4.27Å; V23-K27 VanDerWaalsContact O-CG 3.31Å; V23-K27 WeakPolarHBondContact O-CG 3.4Å; V23-K27 PolarHBondContact O-N 3.47Å; V23-L33 HydrophobicContact CG2-CD1 4.12Å; V23-Y36 WeakPolarHBondContact CG1-O 3.42Å; V23-F41 HydrophobicContact CG2-CB 3.88Å; V23-F41 HydrophobicContact CG2-CD1 3.77Å; V23-F41 HydrophobicContact CG2-CG 3.82Å
24D98.6Very high97.8Very high70 Ų7041.9 Ų41.937%0.37421%0.213SC..Hα-helixtrans-62.5-53.5177.7-175.537.9000111.8D20 T21 I22 A26 K27 Q28 R76D20-D24 VanDerWaalsContact O-CB 3.29Å; D20-D24 WeakPolarHBondContact O-CB 3.36Å; D20-D24 PolarHBondContact O-N 3.31Å; T21-D24 PolarHBondContact O-N 3.42Å; I22-D24 VanDerWaalsContact C-N 3.33Å; I22-D24 PolarHBondContact O-N 3.34Å; D24-A26 VanDerWaalsContact C-N 3.31Å; D24-A26 PolarHBondContact O-N 3.35Å; D24-K27 PolarHBondContact O-N 2.91Å; D24-Q28 PolarHBondContact O-N 3.05Å; D24-R76 IonicContact OD2-CZ 3.51Å; D24-R76 IonicContact OD2-NH1 3.85Å; D24-R76 PolarHBondContact OD2-NH1 2.85Å; D24-R76 IonicContact OD2-NH2 3.8Å; D24-R76 PolarHBondContact OD2-NH2 2.85Å; D24-R76 VanDerWaalsContact OD2-NH2 3.15Å
25L98.5Very high97.8Very high4 Ų442.5 Ų42.52%0.02122%0.218CC..Hα-helixtrans-62.4-38.2178.3-69.2173.1000112.2T21 I22 Q28 K29 V66 L67 A73T21-L25 HydrophobicContact CG2-CD1 3.79Å; T21-L25 HydrophobicContact CG2-CG 4.24Å; T21-L25 WeakPolarHBondContact O-CB 3.24Å; T21-L25 VanDerWaalsContact O-CG 3.26Å; T21-L25 WeakPolarHBondContact O-CG 3.43Å; T21-L25 PolarHBondContact O-N 3.41Å; I22-L25 PolarHBondContact O-N 3.46Å; L25-Q28 PolarHBondContact O-N 3.04Å; L25-K29 WeakPolarHBondContact O-CB 3.46Å; L25-K29 WeakPolarHBondContact O-CG 3.36Å; L25-K29 PolarHBondContact O-N 2.89Å; L25-V66 HydrophobicContact CB-CB 3.91Å; L25-V66 HydrophobicContact CB-CG2 4.22Å; L25-V66 HydrophobicContact CD1-CG2 4.06Å; L25-L67 HydrophobicContact CD1-CD2 4.11Å; L25-A73 HydrophobicContact CD1-CB 3.78Å; L25-A73 HydrophobicContact CD2-CB 3.84Å; L25-A73 HydrophobicContact CG-CB 4.47Å
26A98.1Very high97.8Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-63.9-42.117700000112.1I22 D24 K29 Q30 I31 L33 Y36 V66I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 2.92Å; D24-A26 VanDerWaalsContact C-N 3.31Å; D24-A26 PolarHBondContact O-N 3.35Å; A26-K29 PolarHBondContact O-N 3.32Å; A26-Q30 WeakPolarHBondContact O-CA 3.49Å; A26-Q30 PolarHBondContact O-N 2.92Å; A26-I31 HydrophobicContact CB-CB 4.4Å; A26-I31 PolarHBondContact O-N 3.15Å; A26-L33 HydrophobicContact CB-CD1 3.37Å; A26-L33 HydrophobicContact CB-CD2 4.27Å; A26-L33 HydrophobicContact CB-CG 3.63Å; A26-Y36 HydrophobicContact CB-CE1 4.02Å; A26-V66 HydrophobicContact CB-CG1 3.91Å
27K97.7Very high97.8Very high111 Ų11149.7 Ų49.748%0.48325%0.248SC..Hα-helixtrans-61.1-49.3174.1-75.1170.9-177.7167.10111.1V23 D24 K29 Q30 Y36V23-K27 HydrophobicContact CG1-CD 4.27Å; V23-K27 VanDerWaalsContact O-CG 3.31Å; V23-K27 WeakPolarHBondContact O-CG 3.4Å; V23-K27 PolarHBondContact O-N 3.47Å; D24-K27 PolarHBondContact O-N 2.91Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 2.89Å; K27-Q30 PolarHBondContact O-N 3.42Å; K27-Y36 HydrophobicContact CD-CD1 4.35Å; K27-Y36 VanDerWaalsContact CE-O 3.31Å; K27-Y36 WeakPolarHBondContact CE-O 3.41Å; K27-Y36 HydrophobicContact CG-CD1 3.47Å; K27-Y36 VanDerWaalsContact CG-CD1 3.47Å; K27-Y36 HydrophobicContact CG-CE1 3.83Å; K27-Y36 HydrophobicContact CG-CG 4.28Å; K27-Y36 PolarHBondContact NZ-O 2.92Å
28Q97.4Very high97.8Very high122 Ų12251.2 Ų51.257%0.5726%0.258SS*.Hα-helixtrans-59.2-40.4-179.7-177.7-179.3-11.600111.9D24 L25D24-Q28 PolarHBondContact O-N 3.05Å; L25-Q28 PolarHBondContact O-N 3.04Å
29K97Very high97.7Very high7 Ų756.1 Ų56.13%0.0328%0.278CS..Hα-helixtrans-94.9-2.2-175-63.8174.3-171.8-177.30114.2L25 A26 K27 I31 V66 D70 G116 P117 Y118L25-K29 WeakPolarHBondContact O-CB 3.46Å; L25-K29 WeakPolarHBondContact O-CG 3.36Å; L25-K29 PolarHBondContact O-N 2.89Å; A26-K29 PolarHBondContact O-N 3.32Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 2.89Å; K29-I31 VanDerWaalsContact C-N 3.27Å; K29-I31 HydrophobicContact CB-CD1 3.76Å; K29-I31 HydrophobicContact CB-CG1 3.87Å; K29-I31 HydrophobicContact CD-CD1 4.04Å; K29-I31 PolarHBondContact O-N 3.12Å; K29-V66 PolarHBondContact NZ-O 3.41Å; K29-D70 WeakPolarHBondContact CE-OD2 3.41Å; K29-D70 VanDerWaalsContact NZ-CG 3.28Å; K29-D70 IonicContact NZ-OD2 2.7Å; K29-D70 PolarHBondContact NZ-OD2 3.09Å; K29-G116 WeakPolarHBondContact O-CA 3.45Å; K29-P117 HydrophobicContact CG-CG 4.43Å; K29-P117 WeakPolarHBondContact O-CD 3.43Å; K29-Y118 HydrophobicContact CD-CD2 4.31Å; K29-Y118 HydrophobicContact CD-CE2 4.07Å
30Q96.4Very high97.7Very high145 Ų14560.3 Ų60.368%0.67830%0.297SS*.THydrogen-bonded Turntrans5640.7-175.1-53172.824.400112.6A26 K27 N115A26-Q30 WeakPolarHBondContact O-CA 3.49Å; A26-Q30 PolarHBondContact O-N 2.92Å; K27-Q30 PolarHBondContact O-N 3.42Å; Q30-N115 WeakPolarHBondContact O-CB 3.42Å
31I96.5Very high97.7Very high5 Ų555.3 Ų55.33%0.02627%0.271CS..  trans-90.9123.8176.2-66.3170.8000108.1A26 K29 L33 Y36 P65 V66 P113A26-I31 HydrophobicContact CB-CB 4.4Å; A26-I31 PolarHBondContact O-N 3.15Å; K29-I31 VanDerWaalsContact C-N 3.27Å; K29-I31 HydrophobicContact CB-CD1 3.76Å; K29-I31 HydrophobicContact CB-CG1 3.87Å; K29-I31 HydrophobicContact CD-CD1 4.04Å; K29-I31 PolarHBondContact O-N 3.12Å; I31-L33 PolarHBondContact O-N 2.67Å; I31-Y36 PolarHBondContact O-OH 3.49Å; I31-P65 HydrophobicContact CD1-CB 4.38Å; I31-P65 VanDerWaalsContact CD1-O 3.28Å; I31-P65 WeakPolarHBondContact CD1-O 3.34Å; I31-P65 HydrophobicContact CG2-CB 4.17Å; I31-V66 HydrophobicContact CD1-CB 4.4Å; I31-V66 HydrophobicContact CD1-CG1 4.19Å; I31-V66 HydrophobicContact CG2-CG1 4.31Å; I31-P113 HydrophobicContact CG1-CB 4.48Å
32P96.1Very high97.6Very high70 Ų7060.4 Ų60.446%0.45529%0.289SS..  trans-65.7132.7-176.727-34.5000111.7
33L97.2Very high97.5Very high21 Ų2163.7 Ų63.711%0.1132%0.316CS..  trans-121.4159170.5-65.5-177.5000110.5I22 V23 A26 I31 S35 Y36 F41 I62I22-L33 HydrophobicContact CG2-CD1 4.03Å; I22-L33 HydrophobicContact CG2-CD2 4.25Å; V23-L33 HydrophobicContact CG2-CD1 4.12Å; A26-L33 HydrophobicContact CB-CD1 3.37Å; A26-L33 HydrophobicContact CB-CD2 4.27Å; A26-L33 HydrophobicContact CB-CG 3.63Å; I31-L33 PolarHBondContact O-N 2.67Å; L33-S35 WeakPolarHBondContact CB-O 3.09Å; L33-S35 PolarHBondContact O-N 3.32Å; L33-Y36 HydrophobicContact CD1-CD1 4.47Å; L33-F41 HydrophobicContact CB-CD2 4.26Å; L33-F41 HydrophobicContact CB-CE2 4.48Å; L33-F41 HydrophobicContact CD1-CD2 4.03Å; L33-F41 HydrophobicContact CD1-CE2 4.06Å; L33-F41 HydrophobicContact CD2-CD2 4.47Å; L33-F41 HydrophobicContact CD2-CE2 3.89Å; L33-F41 HydrophobicContact CG-CE2 4.38Å; L33-I62 HydrophobicContact CD2-CG2 4.22Å; L33-I62 VanDerWaalsContact CD2-O 3.31Å; L33-I62 WeakPolarHBondContact CD2-O 3.3Å
34P96.5Very high97.3Very high81 Ų8166.1 Ų66.153%0.52634%0.337SS..SBendtrans-56.6-32.9172.4-25.734.1000113.6A44 I62P34-A44 HydrophobicContact CB-CB 3.9Å; P34-A44 HydrophobicContact CG-CB 4.36Å; P34-I62 HydrophobicContact CG-CG2 3.95Å
35S97.5Very high97.1Very high20 Ų2062.9 Ų62.914%0.1432%0.32CS..  trans-152.5154168.2-1780000110.1L33 N37 E40L33-S35 WeakPolarHBondContact CB-O 3.09Å; L33-S35 PolarHBondContact O-N 3.32Å; S35-N37 PolarHBondContact OG-N 3.15Å; S35-E40 WeakPolarHBondContact CB-OE2 3.34Å; S35-E40 WeakPolarHBondContact OG-CB 3.38Å; S35-E40 PolarHBondContact OG-OE2 2.87Å
36Y97.7Very high96.9Very high89 Ų8964 Ų6435%0.34933%0.327SS..SBendtrans-101.74.5171.6-73.9-70.6000112.7V23 A26 K27 I31 L33V23-Y36 WeakPolarHBondContact CG1-O 3.42Å; A26-Y36 HydrophobicContact CB-CE1 4.02Å; K27-Y36 HydrophobicContact CD-CD1 4.35Å; K27-Y36 VanDerWaalsContact CE-O 3.31Å; K27-Y36 WeakPolarHBondContact CE-O 3.41Å; K27-Y36 HydrophobicContact CG-CD1 3.47Å; K27-Y36 VanDerWaalsContact CG-CD1 3.47Å; K27-Y36 HydrophobicContact CG-CE1 3.83Å; K27-Y36 HydrophobicContact CG-CG 4.28Å; K27-Y36 PolarHBondContact NZ-O 2.92Å; I31-Y36 PolarHBondContact O-OH 3.49Å; L33-Y36 HydrophobicContact CD1-CD1 4.47Å
37N98.2Very high96.5Very high78 Ų7864.6 Ų64.642%0.41733%0.331SS..SBendtrans-89.1124.6163.6178.3-64.4000108S35 Y39 E40 F41S35-N37 PolarHBondContact OG-N 3.15Å; N37-Y39 VanDerWaalsContact C-N 3.3Å; N37-Y39 PolarHBondContact O-N 3.49Å; N37-Y39 WeakPolarHBondContact OD1-CB 3.37Å; N37-Y39 PolarHBondContact OD1-N 2.82Å; N37-E40 HydrophobicContact CB-CB 4.19Å; N37-E40 HydrophobicContact CB-CG 4.14Å; N37-E40 PolarHBondContact O-N 3.07Å; N37-E40 PolarHBondContact OD1-N 3.1Å; N37-F41 WeakPolarHBondContact O-CB 3.43Å; N37-F41 PolarHBondContact O-N 3.28Å
38T98Very high95.8Very high35 Ų3567.7 Ų67.722%0.21534%0.34CS..Hα-helixtrans-59.4-39.2-174.5-50.40000112.9H19 D20 F41 R42H19-T38 HydrophobicContact CB-CG2 3.72Å; D20-T38 HydrophobicContact CB-CG2 4.35Å; D20-T38 WeakPolarHBondContact OD1-CB 3.39Å; D20-T38 WeakPolarHBondContact OD1-CG2 3.36Å; D20-T38 PolarHBondContact OD1-OG1 2.74Å; T38-F41 PolarHBondContact O-N 3.06Å; T38-R42 VanDerWaalsContact O-CB 3.29Å; T38-R42 WeakPolarHBondContact O-CB 3.43Å; T38-R42 PolarHBondContact O-N 3.19Å
39Y97.9Very high94.9Very high187 Ų18768.7 Ų68.773%0.73334%0.344SS*.Hα-helixtrans-64.8-46.6-179.1178.1-94.1000111.2N37 A43N37-Y39 VanDerWaalsContact C-N 3.3Å; N37-Y39 PolarHBondContact O-N 3.49Å; N37-Y39 WeakPolarHBondContact OD1-CB 3.37Å; N37-Y39 PolarHBondContact OD1-N 2.82Å; Y39-A43 WeakPolarHBondContact O-CB 3.13Å; Y39-A43 PolarHBondContact O-N 3.05Å
40E98Very high94Very high110 Ų11071 Ų7151%0.51436%0.36SS..Hα-helixtrans-66.5-39.8176.7-65.2176.6175.600111.9S35 N37 A43 A44S35-E40 WeakPolarHBondContact CB-OE2 3.34Å; S35-E40 WeakPolarHBondContact OG-CB 3.38Å; S35-E40 PolarHBondContact OG-OE2 2.87Å; N37-E40 HydrophobicContact CB-CB 4.19Å; N37-E40 HydrophobicContact CB-CG 4.14Å; N37-E40 PolarHBondContact O-N 3.07Å; N37-E40 PolarHBondContact OD1-N 3.1Å; E40-A43 PolarHBondContact O-N 2.87Å; E40-A44 WeakPolarHBondContact O-CB 3.17Å; E40-A44 PolarHBondContact O-N 3.32Å
41F98Very high93.3Very high0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-61.1-50.9176172.3-106.3000111.4H19 I22 V23 L33 N37 T38 A43 A44 V45 I62 F63H19-F41 HydrophobicContact CB-CD1 4.07Å; H19-F41 HydrophobicContact CB-CE1 4.24Å; H19-F41 AromaticContact CD2-CE1 3.82Å; I22-F41 HydrophobicContact CB-CE1 3.92Å; I22-F41 HydrophobicContact CB-CZ 4.16Å; I22-F41 HydrophobicContact CD1-CE1 3.84Å; I22-F41 HydrophobicContact CD1-CZ 4.03Å; I22-F41 HydrophobicContact CG2-CE1 3.76Å; I22-F41 HydrophobicContact CG2-CE2 4.24Å; I22-F41 HydrophobicContact CG2-CZ 3.5Å; V23-F41 HydrophobicContact CG2-CB 3.88Å; V23-F41 HydrophobicContact CG2-CD1 3.77Å; V23-F41 HydrophobicContact CG2-CG 3.82Å; L33-F41 HydrophobicContact CB-CD2 4.26Å; L33-F41 HydrophobicContact CB-CE2 4.48Å; L33-F41 HydrophobicContact CD1-CD2 4.03Å; L33-F41 HydrophobicContact CD1-CE2 4.06Å; L33-F41 HydrophobicContact CD2-CD2 4.47Å; L33-F41 HydrophobicContact CD2-CE2 3.89Å; L33-F41 HydrophobicContact CG-CE2 4.38Å; N37-F41 WeakPolarHBondContact O-CB 3.43Å; N37-F41 PolarHBondContact O-N 3.28Å; T38-F41 PolarHBondContact O-N 3.06Å; F41-A43 VanDerWaalsContact C-N 3.33Å; F41-A43 PolarHBondContact O-N 2.91Å; F41-A44 WeakPolarHBondContact O-CB 3.22Å; F41-A44 PolarHBondContact O-N 2.91Å; F41-V45 HydrophobicContact CD2-CG1 4.08Å; F41-V45 HydrophobicContact CE1-CG1 4.46Å; F41-V45 HydrophobicContact CE1-CG2 4.17Å; F41-V45 HydrophobicContact CE2-CG1 3.44Å; F41-V45 VanDerWaalsContact CE2-CG1 3.44Å; F41-V45 HydrophobicContact CZ-CG1 3.65Å; F41-V45 HydrophobicContact CZ-CG2 4.11Å; F41-V45 WeakPolarHBondContact O-CG2 3.49Å; F41-V45 PolarHBondContact O-N 3.23Å; F41-I62 HydrophobicContact CE2-CG2 3.98Å; F41-F63 HydrophobicContact CZ-CB 4.19Å
42R97.4Very high93Very high110 Ų11068.2 Ų68.242%0.41536%0.36SS..Hα-helixtrans-54.2-50.9176177.5172.8174.6-179.20.2110.4H19 T38 A44 V45 T46 D298H19-R42 HydrophobicContact CB-CB 4.36Å; T38-R42 VanDerWaalsContact O-CB 3.29Å; T38-R42 WeakPolarHBondContact O-CB 3.43Å; T38-R42 PolarHBondContact O-N 3.19Å; R42-A44 PolarHBondContact O-N 3.08Å; R42-V45 PolarHBondContact O-N 3.05Å; R42-T46 WeakPolarHBondContact O-CB 3.47Å; R42-T46 PolarHBondContact O-N 3.35Å; R42-T46 PolarHBondContact O-OG1 3.25Å; R42-D298 IonicContact CZ-OD1 3.78Å; R42-D298 IonicContact CZ-OD2 3.66Å; R42-D298 IonicContact NE-OD1 3.49Å; R42-D298 PolarHBondContact NE-OD1 3.46Å; R42-D298 IonicContact NE-OD2 2.75Å; R42-D298 PolarHBondContact NE-OD2 2.9Å; R42-D298 VanDerWaalsContact NE-OD2 3.13Å; R42-D298 IonicContact NH2-OD1 3.18Å; R42-D298 PolarHBondContact NH2-OD1 3.22Å; R42-D298 IonicContact NH2-OD2 3.11Å; R42-D298 PolarHBondContact NH2-OD2 3.33Å
43A95.9Very high92.6Very high69 Ų6965.4 Ų65.457%0.5734%0.341SS*.Hα-helixtrans-59-33.2177.600000113.5Y39 E40 F41Y39-A43 WeakPolarHBondContact O-CB 3.13Å; Y39-A43 PolarHBondContact O-N 3.05Å; E40-A43 PolarHBondContact O-N 2.87Å; F41-A43 VanDerWaalsContact C-N 3.33Å; F41-A43 PolarHBondContact O-N 2.91Å
44A94.4Very high92.3Very high55 Ų5571.8 Ų71.846%0.45537%0.37SS..Hα-helixtrans-76.6-30.1-179.900000114P34 E40 F41 R42P34-A44 HydrophobicContact CB-CB 3.9Å; P34-A44 HydrophobicContact CG-CB 4.36Å; E40-A44 WeakPolarHBondContact O-CB 3.17Å; E40-A44 PolarHBondContact O-N 3.32Å; F41-A44 WeakPolarHBondContact O-CB 3.22Å; F41-A44 PolarHBondContact O-N 2.91Å; R42-A44 PolarHBondContact O-N 3.08Å
45V94.6Very high92Very high1 Ų172 Ų721%0.00636%0.363CS..Hα-helixtrans-97.3-19.5-178.9-58.20000113.6F41 R42 S47 I62F41-V45 HydrophobicContact CD2-CG1 4.08Å; F41-V45 HydrophobicContact CE1-CG1 4.46Å; F41-V45 HydrophobicContact CE1-CG2 4.17Å; F41-V45 HydrophobicContact CE2-CG1 3.44Å; F41-V45 VanDerWaalsContact CE2-CG1 3.44Å; F41-V45 HydrophobicContact CZ-CG1 3.65Å; F41-V45 HydrophobicContact CZ-CG2 4.11Å; F41-V45 WeakPolarHBondContact O-CG2 3.49Å; F41-V45 PolarHBondContact O-N 3.23Å; R42-V45 PolarHBondContact O-N 3.05Å; V45-S47 PolarHBondContact O-N 3.02Å; V45-I62 HydrophobicContact CG1-CB 4.44Å; V45-I62 HydrophobicContact CG1-CD1 4.11Å; V45-I62 HydrophobicContact CG1-CG2 3.88Å
46T94.8Very high91.7Very high28 Ų2871.3 Ų71.317%0.17236%0.357CS..  trans-70.9124.8-178.5-640000112R42 R48 I296 D298R42-T46 WeakPolarHBondContact O-CB 3.47Å; R42-T46 PolarHBondContact O-N 3.35Å; R42-T46 PolarHBondContact O-OG1 3.25Å; T46-R48 HydrophobicContact CG2-CG 3.89Å; T46-I296 CarbonylContact C-O 3.55Å; T46-I296 WeakPolarHBondContact CA-O 3.35Å; T46-D298 HydrophobicContact CG2-CB 3.44Å; T46-D298 VanDerWaalsContact CG2-CB 3.44Å
47S89.7Confident91.4Very high12 Ų1269.5 Ų69.58%0.08435%0.353CS..  trans-102122.5171.7-71.30000110.6V45 K55 D59 I296V45-S47 PolarHBondContact O-N 3.02Å; S47-K55 PolarHBondContact OG-NZ 2.95Å; S47-D59 PolarHBondContact OG-OD2 2.98Å; S47-I296 PolarHBondContact N-O 3.08Å
48R81.8Confident91.1Very high177 Ų17770.3 Ų70.367%0.66836%0.358SS*.  trans-118.8-21.7177.7-64.2-165.3175179.5-0.7114.9T46 D298T46-R48 HydrophobicContact CG2-CG 3.89Å; R48-D298 IonicContact NH2-OD2 3.76Å; R48-D298 PolarHBondContact NH2-OD2 3.15Å
49E79.4Confident90.8Very high142 Ų14269.6 Ų69.666%0.66435%0.353SS*.SBendtrans-94.7145179.8-66.5-59.8148.900110.2A51E49-A51 PolarHBondContact O-N 3.35Å
50P78.3Confident90.7Very high55 Ų5561.2 Ų61.236%0.35732%0.32SS..  trans-51.7124.4172.6-24.232.9000110.9V263 N270P50-V263 WeakPolarHBondContact CB-O 3.5Å; P50-V263 HydrophobicContact CG-CG1 4.14Å; P50-N270 HydrophobicContact CG-CB 3.71Å
51A82.3Confident90.6Very high42 Ų4261.8 Ų61.835%0.34732%0.317SS..  trans-129.5-135.6176.200000109E49 K55 V264E49-A51 PolarHBondContact O-N 3.35Å; A51-K55 HydrophobicContact CB-CB 4.23Å; A51-K55 HydrophobicContact CB-CD 3.5Å; A51-K55 HydrophobicContact CB-CG 4.47Å; A51-V264 PolarHBondContact N-O 3.28Å
52S88.7Confident90.5Very high51 Ų5163.9 Ų63.936%0.35733%0.328SS..  trans-128.2155.2174.464.80000109.9E54 K55 M56 T265S52-E54 PolarHBondContact O-N 3.21Å; S52-K55 WeakPolarHBondContact O-CB 3.35Å; S52-K55 PolarHBondContact O-N 3.13Å; S52-K55 VanDerWaalsContact O-N 3.09Å; S52-K55 PolarHBondContact OG-N 3.14Å; S52-K55 VanDerWaalsContact OG-N 3.14Å; S52-M56 PolarHBondContact O-N 2.92Å; S52-M56 VanDerWaalsContact O-N 3.15Å; S52-T265 CarbonylContact C-O 3.38Å; S52-T265 VanDerWaalsContact CA-O 3.32Å; S52-T265 WeakPolarHBondContact CA-O 3.25Å
53L89Confident90.4Very high11 Ų1158.6 Ų58.66%0.05831%0.308CS..Hα-helixtrans-52.2-41169177.959.5000111.3K55 M56 L57 A185 T214 T265L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 2.9Å; L53-M56 HydrophobicContact CD1-CE 3.87Å; L53-M56 PolarHBondContact O-N 3.33Å; L53-M56 VanDerWaalsContact O-N 3.17Å; L53-L57 HydrophobicContact CD1-CD1 4.09Å; L53-L57 HydrophobicContact CD1-CD2 4.34Å; L53-L57 HydrophobicContact CD1-CG 3.9Å; L53-L57 HydrophobicContact CD2-CD1 4.33Å; L53-L57 HydrophobicContact CG-CD1 3.85Å; L53-L57 HydrophobicContact CG-CG 4.12Å; L53-L57 WeakPolarHBondContact O-CG 3.28Å; L53-L57 PolarHBondContact O-N 2.79Å; L53-A185 HydrophobicContact CD2-CB 4Å; L53-T214 HydrophobicContact CB-CG2 3.94Å; L53-T214 HydrophobicContact CD2-CG2 3.43Å; L53-T214 VanDerWaalsContact CD2-CG2 3.43Å; L53-T214 HydrophobicContact CG-CG2 4.31Å; L53-T265 HydrophobicContact CD1-CG2 4.31Å; L53-T265 PolarHBondContact N-O 3.35Å; L53-T265 VanDerWaalsContact N-O 3.08Å
54E89.9Confident90.5Very high155 Ų15555.3 Ų55.372%0.72428%0.281SS*.Hα-helixtrans-58.1-43.5177.5-174.9-176.5172.900112.4S52 L57 N58S52-E54 PolarHBondContact O-N 3.21Å; E54-L57 PolarHBondContact O-N 2.88Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.38Å
55K90.1Very high90.6Very high85 Ų8553.1 Ų53.137%0.3726%0.262SS..Hα-helixtrans-61.1-48.8175.5-174.5-162170.1-69.30110.4S47 A51 S52 L53 L57 N58 D59S47-K55 PolarHBondContact OG-NZ 2.95Å; A51-K55 HydrophobicContact CB-CB 4.23Å; A51-K55 HydrophobicContact CB-CD 3.5Å; A51-K55 HydrophobicContact CB-CG 4.47Å; S52-K55 WeakPolarHBondContact O-CB 3.35Å; S52-K55 PolarHBondContact O-N 3.13Å; S52-K55 VanDerWaalsContact O-N 3.09Å; S52-K55 PolarHBondContact OG-N 3.14Å; S52-K55 VanDerWaalsContact OG-N 3.14Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 2.9Å; K55-L57 PolarHBondContact O-N 3.45Å; K55-N58 WeakPolarHBondContact O-CB 3.28Å; K55-N58 PolarHBondContact O-N 3.3Å; K55-N58 VanDerWaalsContact O-N 3.12Å; K55-D59 IonicContact NZ-OD1 2.72Å; K55-D59 IonicContact NZ-OD2 3.78Å; K55-D59 PolarHBondContact NZ-OD2 2.97Å; K55-D59 PolarHBondContact O-N 3.29Å; K55-D59 VanDerWaalsContact O-N 3.13Å
56M91.7Very high90.8Very high6 Ų653.1 Ų53.13%0.0326%0.262CS..Hα-helixtrans-58.3-49.1-179.4-171.3175.380.200111S52 L53 N58 D59 F60 T265 D293 I296 L297S52-M56 PolarHBondContact O-N 2.92Å; S52-M56 VanDerWaalsContact O-N 3.15Å; L53-M56 HydrophobicContact CD1-CE 3.87Å; L53-M56 PolarHBondContact O-N 3.33Å; L53-M56 VanDerWaalsContact O-N 3.17Å; M56-N58 PolarHBondContact O-N 2.85Å; M56-D59 WeakPolarHBondContact O-CB 2.97Å; M56-D59 PolarHBondContact O-N 3.12Å; M56-F60 HydrophobicContact CG-CE2 4.47Å; M56-F60 WeakPolarHBondContact O-CD2 3.48Å; M56-T265 HydrophobicContact CB-CG2 4.45Å; M56-T265 HydrophobicContact CE-CG2 3.53Å; M56-T265 HydrophobicContact SD-CG2 3.48Å; M56-T265 WeakPolarHBondContact SD-CG2 3.15Å; M56-D293 WeakPolarHBondContact CE-OD2 3.33Å; M56-I296 HydrophobicContact CG-CD1 4.08Å; M56-I296 HydrophobicContact CG-CG2 4.09Å; M56-L297 HydrophobicContact SD-CD2 4.44Å
57L91.1Very high91Very high51 Ų5151.9 Ų51.927%0.26725%0.254SS..Hα-helixtrans-61.6-29.2177.6-68177.2000113.2L53 E54 K55 A185L53-L57 HydrophobicContact CD1-CD1 4.09Å; L53-L57 HydrophobicContact CD1-CD2 4.34Å; L53-L57 HydrophobicContact CD1-CG 3.9Å; L53-L57 HydrophobicContact CD2-CD1 4.33Å; L53-L57 HydrophobicContact CG-CD1 3.85Å; L53-L57 HydrophobicContact CG-CG 4.12Å; L53-L57 WeakPolarHBondContact O-CG 3.28Å; L53-L57 PolarHBondContact O-N 2.79Å; E54-L57 PolarHBondContact O-N 2.88Å; K55-L57 PolarHBondContact O-N 3.45Å; L57-A185 HydrophobicContact CD1-CB 4.43Å
58N91.5Very high91.4Very high95 Ų9551.3 Ų51.351%0.50825%0.25SS..Hα-helixtrans-72.2-31.6174.3-173.766.6000112.4E54 K55 M56 F60 R61E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.38Å; K55-N58 WeakPolarHBondContact O-CB 3.28Å; K55-N58 PolarHBondContact O-N 3.3Å; K55-N58 VanDerWaalsContact O-N 3.12Å; M56-N58 PolarHBondContact O-N 2.85Å; N58-F60 PolarHBondContact O-N 2.99Å; N58-R61 VanDerWaalsContact O-CB 3.25Å; N58-R61 WeakPolarHBondContact O-CB 3.47Å; N58-R61 VanDerWaalsContact O-CG 3.23Å; N58-R61 WeakPolarHBondContact O-CG 3.48Å; N58-R61 PolarHBondContact O-N 2.87Å; N58-R61 VanDerWaalsContact O-N 3.11Å; N58-R61 WeakPolarHBondContact OD1-CD 3.48Å
59D93.2Very high92.1Very high20 Ų2042.9 Ų42.911%0.10722%0.219CC..Hα-helixtrans-67.7-25.1178.8-66.7-23.6000112.1S47 K55 M56 R61 I62 I296S47-D59 PolarHBondContact OG-OD2 2.98Å; K55-D59 IonicContact NZ-OD1 2.72Å; K55-D59 IonicContact NZ-OD2 3.78Å; K55-D59 PolarHBondContact NZ-OD2 2.97Å; K55-D59 PolarHBondContact O-N 3.29Å; K55-D59 VanDerWaalsContact O-N 3.13Å; M56-D59 WeakPolarHBondContact O-CB 2.97Å; M56-D59 PolarHBondContact O-N 3.12Å; D59-R61 PolarHBondContact O-N 3.48Å; D59-R61 VanDerWaalsContact O-N 3.14Å; D59-I62 HydrophobicContact CB-CD1 4.41Å; D59-I62 VanDerWaalsContact O-CB 3.25Å; D59-I62 WeakPolarHBondContact O-CB 3.49Å; D59-I62 VanDerWaalsContact O-CG1 3.32Å; D59-I62 WeakPolarHBondContact O-CG1 3.44Å; D59-I62 PolarHBondContact O-N 3.08Å; D59-I296 HydrophobicContact CB-CD1 4.04Å; D59-I296 HydrophobicContact CB-CG1 4.44Å
60F95.1Very high93Very high10 Ų1036.6 Ų36.64%0.04419%0.19CC..Hα-helixtrans-56.6-28.5170.6-81.1-106.1000113.2M56 N58 I62 F63 I64 Y111 D293 I296M56-F60 HydrophobicContact CG-CE2 4.47Å; M56-F60 WeakPolarHBondContact O-CD2 3.48Å; N58-F60 PolarHBondContact O-N 2.99Å; F60-I62 PolarHBondContact O-N 3.39Å; F60-I62 VanDerWaalsContact O-N 3.09Å; F60-F63 HydrophobicContact CB-CZ 4.37Å; F60-F63 AromaticContact CD1-CE2 3.95Å; F60-F63 HydrophobicContact CD1-CE2 3.95Å; F60-F63 AromaticContact CD1-CZ 3.95Å; F60-F63 HydrophobicContact CD1-CZ 3.95Å; F60-F63 HydrophobicContact CD2-CZ 4.43Å; F60-F63 HydrophobicContact CE1-CE2 4.42Å; F60-F63 HydrophobicContact CE1-CZ 4.36Å; F60-F63 HydrophobicContact CG-CE2 4.37Å; F60-F63 AromaticContact CG-CZ 3.98Å; F60-F63 HydrophobicContact CG-CZ 3.98Å; F60-F63 PolarHBondContact O-N 3.36Å; F60-I64 HydrophobicContact CB-CG1 3.86Å; F60-I64 HydrophobicContact CD1-CD1 3.81Å; F60-I64 HydrophobicContact CD1-CG1 3.7Å; F60-I64 HydrophobicContact CE1-CD1 4.5Å; F60-I64 HydrophobicContact CG-CG1 4.28Å; F60-I64 WeakPolarHBondContact O-CB 3.37Å; F60-I64 VanDerWaalsContact O-CG1 3.24Å; F60-I64 WeakPolarHBondContact O-CG1 3.48Å; F60-I64 PolarHBondContact O-N 3.13Å; F60-Y111 HydrophobicContact CB-CE1 3.86Å; F60-D293 HydrophobicContact CZ-CB 4.24Å; F60-D293 WeakPolarHBondContact CZ-OD1 3.3Å; F60-I296 HydrophobicContact CD2-CD1 3.36Å; F60-I296 HydrophobicContact CE2-CD1 3.32Å; F60-I296 HydrophobicContact CG-CD1 4.2Å; F60-I296 HydrophobicContact CZ-CD1 4.12Å
61R95.1Very high94Very high122 Ų12236 Ų3646%0.4619%0.186SC..Hα-helixtrans-60.6-21.1177.2-58.7-178.370.670.911.4112.9N58 D59 P65 P110 Y111N58-R61 VanDerWaalsContact O-CB 3.25Å; N58-R61 WeakPolarHBondContact O-CB 3.47Å; N58-R61 VanDerWaalsContact O-CG 3.23Å; N58-R61 WeakPolarHBondContact O-CG 3.48Å; N58-R61 PolarHBondContact O-N 2.87Å; N58-R61 VanDerWaalsContact O-N 3.11Å; N58-R61 WeakPolarHBondContact OD1-CD 3.48Å; D59-R61 PolarHBondContact O-N 3.48Å; D59-R61 VanDerWaalsContact O-N 3.14Å; R61-P65 WeakPolarHBondContact O-CD 3.37Å; R61-P65 WeakPolarHBondContact O-CG 3.42Å; R61-P110 VanDerWaalsContact CZ-O 3.27Å; R61-P110 PolarHBondContact NH1-O 3.47Å; R61-P110 PolarHBondContact NH2-O 2.91Å; R61-Y111 HydrophobicContact CB-CD1 4.28Å; R61-Y111 HydrophobicContact CB-CE1 4.49Å; R61-Y111 HydrophobicContact CG-CD1 3.77Å; R61-Y111 HydrophobicContact CG-CE1 3.69Å
62I95.9Very high94.7Very high44 Ų4441 Ų4123%0.22620%0.202CC..Hα-helixtrans-72.2-41.4-178.6-59.5171.2000110.7L33 P34 F41 V45 D59 F60L33-I62 HydrophobicContact CD2-CG2 4.22Å; L33-I62 VanDerWaalsContact CD2-O 3.31Å; L33-I62 WeakPolarHBondContact CD2-O 3.3Å; P34-I62 HydrophobicContact CG-CG2 3.95Å; F41-I62 HydrophobicContact CE2-CG2 3.98Å; V45-I62 HydrophobicContact CG1-CB 4.44Å; V45-I62 HydrophobicContact CG1-CD1 4.11Å; V45-I62 HydrophobicContact CG1-CG2 3.88Å; D59-I62 HydrophobicContact CB-CD1 4.41Å; D59-I62 VanDerWaalsContact O-CB 3.25Å; D59-I62 WeakPolarHBondContact O-CB 3.49Å; D59-I62 VanDerWaalsContact O-CG1 3.32Å; D59-I62 WeakPolarHBondContact O-CG1 3.44Å; D59-I62 PolarHBondContact O-N 3.08Å; F60-I62 PolarHBondContact O-N 3.39Å; F60-I62 VanDerWaalsContact O-N 3.09Å
63F96.5Very high95.2Very high0 Ų038.6 Ų38.60%019%0.185CC..Hα-helixtrans-122.3-26.8-167.257.5-100.6000115.4D14 I17 I22 F41 F60 P65 V66 T295 I296D14-F63 VanDerWaalsContact O-CE2 3.26Å; D14-F63 WeakPolarHBondContact O-CE2 3.48Å; I17-F63 HydrophobicContact CD1-CD2 4.06Å; I22-F63 HydrophobicContact CD1-CB 3.74Å; I22-F63 HydrophobicContact CD1-CD2 4.25Å; I22-F63 HydrophobicContact CD1-CG 3.98Å; I22-F63 HydrophobicContact CG1-CB 4.14Å; I22-F63 HydrophobicContact CG2-CB 3.66Å; F41-F63 HydrophobicContact CZ-CB 4.19Å; F60-F63 HydrophobicContact CB-CZ 4.37Å; F60-F63 AromaticContact CD1-CE2 3.95Å; F60-F63 HydrophobicContact CD1-CE2 3.95Å; F60-F63 AromaticContact CD1-CZ 3.95Å; F60-F63 HydrophobicContact CD1-CZ 3.95Å; F60-F63 HydrophobicContact CD2-CZ 4.43Å; F60-F63 HydrophobicContact CE1-CE2 4.42Å; F60-F63 HydrophobicContact CE1-CZ 4.36Å; F60-F63 HydrophobicContact CG-CE2 4.37Å; F60-F63 AromaticContact CG-CZ 3.98Å; F60-F63 HydrophobicContact CG-CZ 3.98Å; F60-F63 PolarHBondContact O-N 3.36Å; F63-P65 VanDerWaalsContact O-N 3.14Å; F63-V66 WeakPolarHBondContact O-CG1 3.33Å; F63-V66 WeakPolarHBondContact O-CG2 3.48Å; F63-V66 PolarHBondContact O-N 3.21Å; F63-T295 HydrophobicContact CD1-CG2 4Å; F63-T295 HydrophobicContact CD2-CG2 4.25Å; F63-T295 HydrophobicContact CE1-CG2 3.82Å; F63-T295 HydrophobicContact CE2-CG2 4.11Å; F63-T295 HydrophobicContact CG-CG2 4.21Å; F63-T295 HydrophobicContact CZ-CG2 3.88Å; F63-I296 HydrophobicContact CE1-CD1 3.87Å; F63-I296 HydrophobicContact CE1-CG1 3.63Å; F63-I296 HydrophobicContact CZ-CD1 3.75Å; F63-I296 HydrophobicContact CZ-CG1 3.79Å
64I97.2Very high95.7Very high0 Ų038.1 Ų38.10%018%0.183CC..G310 helixtrans-51.1-37.2174.7-67.4-70.9000114D14 F60 V66 L67 I68 L102 Y111D14-I64 HydrophobicContact CB-CD1 3.41Å; D14-I64 VanDerWaalsContact CB-CD1 3.41Å; D14-I64 WeakPolarHBondContact O-CD1 3.4Å; F60-I64 HydrophobicContact CB-CG1 3.86Å; F60-I64 HydrophobicContact CD1-CD1 3.81Å; F60-I64 HydrophobicContact CD1-CG1 3.7Å; F60-I64 HydrophobicContact CE1-CD1 4.5Å; F60-I64 HydrophobicContact CG-CG1 4.28Å; F60-I64 WeakPolarHBondContact O-CB 3.37Å; F60-I64 VanDerWaalsContact O-CG1 3.24Å; F60-I64 WeakPolarHBondContact O-CG1 3.48Å; F60-I64 PolarHBondContact O-N 3.13Å; I64-V66 PolarHBondContact O-N 2.93Å; I64-L67 PolarHBondContact O-N 3.12Å; I64-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 HydrophobicContact CG2-CG1 4.19Å; I64-L102 HydrophobicContact CG2-CD2 4.34Å; I64-Y111 HydrophobicContact CB-CD1 4.46Å; I64-Y111 HydrophobicContact CB-CD2 4.46Å; I64-Y111 HydrophobicContact CB-CG 4.11Å; I64-Y111 HydrophobicContact CG2-CD2 3.85Å; I64-Y111 HydrophobicContact CG2-CG 3.77Å
65P97.6Very high96.1Very high9 Ų933.5 Ų33.56%0.05816%0.161CC..G310 helixtrans-57.7-21.5-178.6-18.226.2000114I31 R61 F63 L67 I68 Y111 P113I31-P65 HydrophobicContact CD1-CB 4.38Å; I31-P65 VanDerWaalsContact CD1-O 3.28Å; I31-P65 WeakPolarHBondContact CD1-O 3.34Å; I31-P65 HydrophobicContact CG2-CB 4.17Å; R61-P65 WeakPolarHBondContact O-CD 3.37Å; R61-P65 WeakPolarHBondContact O-CG 3.42Å; F63-P65 VanDerWaalsContact O-N 3.14Å; P65-L67 PolarHBondContact O-N 3.39Å; P65-I68 PolarHBondContact O-N 3.06Å; P65-Y111 WeakPolarHBondContact CG-O 3.25Å; P65-P113 HydrophobicContact CB-CB 3.71Å; P65-P113 HydrophobicContact CB-CG 4.32Å
66V98Very high96.5Very high0 Ų033.3 Ų33.30%016%0.158CC..G310 helixtrans-69.2-14176.7-47.90000113.7I22 L25 A26 K29 I31 F63 I64I22-V66 HydrophobicContact CG1-CG2 4.5Å; I22-V66 HydrophobicContact CG2-CG1 4.22Å; I22-V66 HydrophobicContact CG2-CG2 4.45Å; L25-V66 HydrophobicContact CB-CB 3.91Å; L25-V66 HydrophobicContact CB-CG2 4.22Å; L25-V66 HydrophobicContact CD1-CG2 4.06Å; A26-V66 HydrophobicContact CB-CG1 3.91Å; K29-V66 PolarHBondContact NZ-O 3.41Å; I31-V66 HydrophobicContact CD1-CB 4.4Å; I31-V66 HydrophobicContact CD1-CG1 4.19Å; I31-V66 HydrophobicContact CG2-CG1 4.31Å; F63-V66 WeakPolarHBondContact O-CG1 3.33Å; F63-V66 WeakPolarHBondContact O-CG2 3.48Å; F63-V66 PolarHBondContact O-N 3.21Å; I64-V66 PolarHBondContact O-N 2.93Å
67L98.2Very high96.9Very high2 Ų233.2 Ų33.21%0.0116%0.158CC..THydrogen-bonded Turntrans-100.2-25.7177.3-58.1-170.5000113.2I17 L25 I64 P65 G69 D70 A73 L74 V77 L102I17-L67 HydrophobicContact CD1-CD1 3.48Å; I17-L67 VanDerWaalsContact CD1-CD1 3.48Å; I17-L67 HydrophobicContact CD1-CD2 4.24Å; I17-L67 HydrophobicContact CD1-CG 3.88Å; I17-L67 HydrophobicContact CG1-CD1 4.2Å; L25-L67 HydrophobicContact CD1-CD2 4.11Å; I64-L67 PolarHBondContact O-N 3.12Å; P65-L67 PolarHBondContact O-N 3.39Å; L67-G69 PolarHBondContact O-N 2.84Å; L67-D70 PolarHBondContact O-N 3.45Å; L67-A73 HydrophobicContact CD2-CB 4.29Å; L67-L74 HydrophobicContact CB-CD2 4.14Å; L67-V77 HydrophobicContact CD2-CB 4.45Å; L67-V77 HydrophobicContact CD2-CG2 3.73Å; L67-L102 HydrophobicContact CB-CD2 3.99Å; L67-L102 HydrophobicContact CD1-CD2 4.06Å
68I97.9Very high97.2Very high0 Ų030.8 Ų30.80%015%0.145CC..THydrogen-bonded Turntrans-62.3121.4-167.6-62.3-178.9000111I64 P65 D70 L101 L102 N104 Y111 Y118I64-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 HydrophobicContact CG2-CG1 4.19Å; P65-I68 PolarHBondContact O-N 3.06Å; I68-D70 VanDerWaalsContact C-N 3.28Å; I68-D70 PolarHBondContact O-N 2.84Å; I68-L101 WeakPolarHBondContact CG1-O 3.35Å; I68-L102 WeakPolarHBondContact CA-O 3.36Å; I68-N104 HydrophobicContact CG2-CB 3.96Å; I68-Y111 VanDerWaalsContact CD1-C 3.41Å; I68-Y111 WeakPolarHBondContact CD1-O 3.22Å; I68-Y118 VanDerWaalsContact O-CB 3.29Å; I68-Y118 WeakPolarHBondContact O-CB 3.24Å; I68-Y118 VanDerWaalsContact O-CD2 3.26Å; I68-Y118 WeakPolarHBondContact O-CD2 3.5Å; I68-Y118 VanDerWaalsContact O-CG 3.22Å
69G97.4Very high97.6Very high1 Ų129.8 Ų29.81%0.0114%0.135CC..THydrogen-bonded Turntrans7412.9172.800000115.7L67 L102 N104 Y118 V124L67-G69 PolarHBondContact O-N 2.84Å; G69-L102 PolarHBondContact N-O 3.44Å; G69-N104 WeakPolarHBondContact CA-ND2 3.21Å; G69-Y118 WeakPolarHBondContact O-CD1 3.4Å; G69-Y118 WeakPolarHBondContact O-CE1 3.28Å; G69-V124 WeakPolarHBondContact O-CG2 3.36Å
70D98.1Very high97.8Very high9 Ų930 Ų305%0.04814%0.135CC..  trans-115.9102.5178.2-174.8-8.1000112K29 L67 I68 E72 A73 L74 Y118K29-D70 WeakPolarHBondContact CE-OD2 3.41Å; K29-D70 VanDerWaalsContact NZ-CG 3.28Å; K29-D70 IonicContact NZ-OD2 2.7Å; K29-D70 PolarHBondContact NZ-OD2 3.09Å; L67-D70 PolarHBondContact O-N 3.45Å; I68-D70 VanDerWaalsContact C-N 3.28Å; I68-D70 PolarHBondContact O-N 2.84Å; D70-E72 VanDerWaalsContact C-N 3.28Å; D70-E72 PolarHBondContact O-N 3.47Å; D70-E72 WeakPolarHBondContact OD1-CB 3.37Å; D70-E72 PolarHBondContact OD1-N 3.41Å; D70-A73 HydrophobicContact CB-CB 3.85Å; D70-A73 PolarHBondContact O-N 3.42Å; D70-A73 PolarHBondContact OD1-N 2.86Å; D70-A73 WeakPolarHBondContact OD2-CB 3.43Å; D70-L74 WeakPolarHBondContact O-CD1 3.31Å; D70-L74 WeakPolarHBondContact O-CG 3.46Å; D70-L74 PolarHBondContact O-N 3.41Å; D70-L74 VanDerWaalsContact O-N 3.07Å; D70-Y118 HydrophobicContact CB-CD2 4.47Å; D70-Y118 HydrophobicContact CB-CE2 3.66Å
71P98.4Very high98Very high42 Ų4229.8 Ų29.827%0.27313%0.134SC..Hα-helixtrans-54-38.5175.5-29.138.7000114.6E75 V124P71-E75 WeakPolarHBondContact O-CB 3.43Å; P71-E75 PolarHBondContact O-N 2.99Å; P71-V124 HydrophobicContact CG-CG2 4.09Å
72E98.6Very high98.2Very high147 Ų14724 Ų2469%0.68711%0.112SC*.Hα-helixtrans-72-42.5-176.6-65.4-179.9-172.700110.9D70 E75 R76D70-E72 VanDerWaalsContact C-N 3.28Å; D70-E72 PolarHBondContact O-N 3.47Å; D70-E72 WeakPolarHBondContact OD1-CB 3.37Å; D70-E72 PolarHBondContact OD1-N 3.41Å; E72-E75 PolarHBondContact O-N 3.37Å; E72-R76 VanDerWaalsContact O-CB 3.27Å; E72-R76 WeakPolarHBondContact O-CB 3.14Å; E72-R76 PolarHBondContact O-N 3.41Å
73A98.7Very high98.3Very high1 Ų122.9 Ų22.91%0.00811%0.108CC..Hα-helixtrans-63.5-41175.200000112.2L25 L67 D70 R76 V77L25-A73 HydrophobicContact CD1-CB 3.78Å; L25-A73 HydrophobicContact CD2-CB 3.84Å; L25-A73 HydrophobicContact CG-CB 4.47Å; L67-A73 HydrophobicContact CD2-CB 4.29Å; D70-A73 HydrophobicContact CB-CB 3.85Å; D70-A73 PolarHBondContact O-N 3.42Å; D70-A73 PolarHBondContact OD1-N 2.86Å; D70-A73 WeakPolarHBondContact OD2-CB 3.43Å; A73-R76 PolarHBondContact O-N 3.01Å; A73-V77 WeakPolarHBondContact O-CB 3.43Å; A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 3.15Å
74L98.9Very high98.4Very high2 Ų224.9 Ų24.91%0.0112%0.12CC..Hα-helixtrans-63.3-46178.2-69167.6000111.7L67 D70 A78 L102 V129 C132 I133L67-L74 HydrophobicContact CB-CD2 4.14Å; D70-L74 WeakPolarHBondContact O-CD1 3.31Å; D70-L74 WeakPolarHBondContact O-CG 3.46Å; D70-L74 PolarHBondContact O-N 3.41Å; D70-L74 VanDerWaalsContact O-N 3.07Å; L74-A78 WeakPolarHBondContact O-CB 3.23Å; L74-A78 PolarHBondContact O-N 3.07Å; L74-A78 VanDerWaalsContact O-N 3.13Å; L74-L102 HydrophobicContact CD2-CB 3.98Å; L74-L102 HydrophobicContact CD2-CD1 3.73Å; L74-L102 HydrophobicContact CD2-CG 4.33Å; L74-V129 HydrophobicContact CD1-CB 4.28Å; L74-V129 HydrophobicContact CD1-CG1 4.14Å; L74-V129 HydrophobicContact CD1-CG2 3.96Å; L74-V129 HydrophobicContact CD2-CG1 4.29Å; L74-C132 HydrophobicContact CB-CB 3.94Å; L74-I133 HydrophobicContact CB-CG1 4.45Å; L74-I133 HydrophobicContact CD2-CD1 4.49Å
75E98.9Very high98.5Very high58 Ų5825.1 Ų25.127%0.27112%0.121SC..Hα-helixtrans-64.3-43.5176.3-167.5-174.1120.300111.5P71 E72 A78 Y79 E135 G136 K139P71-E75 WeakPolarHBondContact O-CB 3.43Å; P71-E75 PolarHBondContact O-N 2.99Å; E72-E75 PolarHBondContact O-N 3.37Å; E75-A78 PolarHBondContact O-N 3.41Å; E75-Y79 PolarHBondContact O-N 3.33Å; E75-E135 HydrophobicContact CG-CB 4.24Å; E75-E135 HydrophobicContact CG-CG 4.21Å; E75-E135 WeakPolarHBondContact OE2-CG 3.38Å; E75-G136 WeakPolarHBondContact O-CA 3.48Å; E75-K139 IonicContact OE1-NZ 2.85Å; E75-K139 PolarHBondContact OE1-NZ 2.95Å; E75-K139 IonicContact OE2-NZ 3.58Å
76R98.8Very high98.5Very high81 Ų8126 Ų2631%0.30613%0.129SC..Hα-helixtrans-59.3-50.4177.7174.4177.9172.8-176.4-4.9112T21 D24 E72 A73 A78 Y79 E80T21-R76 PolarHBondContact OG1-NH2 3.24Å; D24-R76 IonicContact OD2-CZ 3.51Å; D24-R76 IonicContact OD2-NH1 3.85Å; D24-R76 PolarHBondContact OD2-NH1 2.85Å; D24-R76 IonicContact OD2-NH2 3.8Å; D24-R76 PolarHBondContact OD2-NH2 2.85Å; D24-R76 VanDerWaalsContact OD2-NH2 3.15Å; E72-R76 VanDerWaalsContact O-CB 3.27Å; E72-R76 WeakPolarHBondContact O-CB 3.14Å; E72-R76 PolarHBondContact O-N 3.41Å; A73-R76 PolarHBondContact O-N 3.01Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3Å; R76-Y79 PolarHBondContact O-N 3.41Å; R76-E80 HydrophobicContact CG-CG 4.31Å; R76-E80 WeakPolarHBondContact CG-OE1 3.11Å; R76-E80 IonicContact CZ-OE1 2.59Å; R76-E80 IonicContact NE-OE1 2.93Å; R76-E80 PolarHBondContact NE-OE1 3.48Å; R76-E80 IonicContact NH2-OE1 3.41Å; R76-E80 WeakPolarHBondContact O-CB 3.11Å; R76-E80 WeakPolarHBondContact O-CG 3.41Å; R76-E80 PolarHBondContact O-N 2.97Å
77V98.9Very high98.5Very high3 Ų331.5 Ų31.52%0.01816%0.158CC..Hα-helixtrans-65.1-38.5-178.5167.40000111.3L13 I17 T21 L67 A73 E80 Y81L13-V77 HydrophobicContact CD1-CG1 3.96Å; L13-V77 HydrophobicContact CG-CG1 4.18Å; I17-V77 HydrophobicContact CG1-CG1 4.08Å; I17-V77 HydrophobicContact CG2-CG1 4.3Å; I17-V77 HydrophobicContact CG2-CG2 3.76Å; T21-V77 HydrophobicContact CG2-CG2 4.01Å; L67-V77 HydrophobicContact CD2-CB 4.45Å; L67-V77 HydrophobicContact CD2-CG2 3.73Å; A73-V77 WeakPolarHBondContact O-CB 3.43Å; A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 3.15Å; V77-E80 PolarHBondContact O-N 3.22Å; V77-Y81 VanDerWaalsContact O-CB 3.31Å; V77-Y81 WeakPolarHBondContact O-CB 3.47Å; V77-Y81 PolarHBondContact O-N 3.17Å
78A98.9Very high98.5Very high0 Ų032.2 Ų32.20%016%0.162CC..Hα-helixtrans-63.7-38.8173.200000112.7L74 E75 R76 Y81 I133 L137L74-A78 WeakPolarHBondContact O-CB 3.23Å; L74-A78 PolarHBondContact O-N 3.07Å; L74-A78 VanDerWaalsContact O-N 3.13Å; E75-A78 PolarHBondContact O-N 3.41Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3Å; A78-Y81 WeakPolarHBondContact O-CB 3.19Å; A78-I133 HydrophobicContact CB-CB 4.35Å; A78-I133 HydrophobicContact CB-CG1 4.46Å; A78-I133 HydrophobicContact CB-CG2 4.08Å; A78-I133 WeakPolarHBondContact CB-O 3.48Å; A78-L137 HydrophobicContact CB-CD2 4.06Å; A78-L137 HydrophobicContact CB-CG 4.11Å; A78-L137 WeakPolarHBondContact O-CD2 3.33Å
79Y98.9Very high98.5Very high74 Ų7434.6 Ų34.629%0.2918%0.175SC..Hα-helixtrans-66.8-48.5173.6179.1-91.6000112.1E75 R76 Y81 C82 V83 K139 D143 F144E75-Y79 PolarHBondContact O-N 3.33Å; R76-Y79 PolarHBondContact O-N 3.41Å; Y79-Y81 PolarHBondContact O-N 3.23Å; Y79-C82 WeakPolarHBondContact O-CB 3.5Å; Y79-C82 PolarHBondContact O-N 3.2Å; Y79-V83 HydrophobicContact CD1-CG2 4.15Å; Y79-V83 HydrophobicContact CE1-CG2 3.89Å; Y79-V83 PolarHBondContact O-N 3.15Å; Y79-K139 HydrophobicContact CD2-CB 3.75Å; Y79-K139 HydrophobicContact CE2-CB 4.11Å; Y79-D143 HydrophobicContact CE2-CB 4.46Å; Y79-D143 WeakPolarHBondContact CE2-OD2 3.44Å; Y79-F144 HydrophobicContact CE1-CE2 4.16Å; Y79-F144 HydrophobicContact CE2-CE2 4.17Å; Y79-F144 AromaticContact CZ-CE2 3.72Å
80E98.9Very high98.6Very high26 Ų2634.6 Ų34.612%0.12118%0.175CC..Hα-helixtrans-62.4-31.3178.8-74.7178.5-179.500112.6T21 R76 V77 C82 V83 T84T21-E80 WeakPolarHBondContact CB-OE2 3.48Å; T21-E80 WeakPolarHBondContact CG2-OE2 3.02Å; T21-E80 VanDerWaalsContact OG1-CD 3.24Å; T21-E80 PolarHBondContact OG1-OE1 3.11Å; T21-E80 PolarHBondContact OG1-OE2 3.23Å; R76-E80 HydrophobicContact CG-CG 4.31Å; R76-E80 WeakPolarHBondContact CG-OE1 3.11Å; R76-E80 IonicContact CZ-OE1 2.59Å; R76-E80 IonicContact NE-OE1 2.93Å; R76-E80 PolarHBondContact NE-OE1 3.48Å; R76-E80 IonicContact NH2-OE1 3.41Å; R76-E80 WeakPolarHBondContact O-CB 3.11Å; R76-E80 WeakPolarHBondContact O-CG 3.41Å; R76-E80 PolarHBondContact O-N 2.97Å; V77-E80 PolarHBondContact O-N 3.22Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 2.86Å; E80-V83 WeakPolarHBondContact O-CB 3.33Å; E80-V83 PolarHBondContact O-N 2.88Å; E80-T84 PolarHBondContact O-N 3.49Å; E80-T84 PolarHBondContact O-OG1 3.06Å; E80-T84 VanDerWaalsContact O-OG1 3.06Å
81Y98.9Very high98.6Very high4 Ų434.8 Ų34.82%0.01618%0.175CC..Hα-helixtrans-56.2-48.3170.5176.9-92.1000111.1I11 L13 A16 V77 A78 Y79 V83 T84 Q85 S93 L95 L137 V148I11-Y81 HydrophobicContact CD1-CE2 3.62Å; I11-Y81 HydrophobicContact CG1-CE2 4.12Å; I11-Y81 HydrophobicContact CG2-CE2 4.26Å; I11-Y81 WeakPolarHBondContact CG2-OH 3.27Å; L13-Y81 HydrophobicContact CD1-CD2 3.98Å; L13-Y81 HydrophobicContact CD1-CG 3.98Å; A16-Y81 HydrophobicContact CB-CD2 4.26Å; A16-Y81 HydrophobicContact CB-CE2 4.34Å; V77-Y81 VanDerWaalsContact O-CB 3.31Å; V77-Y81 WeakPolarHBondContact O-CB 3.47Å; V77-Y81 PolarHBondContact O-N 3.17Å; A78-Y81 WeakPolarHBondContact O-CB 3.19Å; Y79-Y81 PolarHBondContact O-N 3.23Å; Y81-V83 VanDerWaalsContact C-N 3.3Å; Y81-V83 PolarHBondContact O-N 3.02Å; Y81-T84 PolarHBondContact O-N 3.22Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-Q85 HydrophobicContact CD1-CG 3.96Å; Y81-Q85 HydrophobicContact CE1-CG 3.44Å; Y81-Q85 VanDerWaalsContact CE1-CG 3.44Å; Y81-Q85 HydrophobicContact CE2-CG 4.2Å; Y81-Q85 WeakPolarHBondContact O-CG 3.46Å; Y81-Q85 PolarHBondContact O-N 3.27Å; Y81-Q85 PolarHBondContact OH-NE2 2.98Å; Y81-S93 PolarHBondContact OH-OG 3.02Å; Y81-L95 HydrophobicContact CD1-CD2 3.64Å; Y81-L95 HydrophobicContact CE1-CB 4.16Å; Y81-L95 HydrophobicContact CE1-CD2 3.46Å; Y81-L95 VanDerWaalsContact CE1-CD2 3.46Å; Y81-L95 HydrophobicContact CE1-CG 4.47Å; Y81-L95 HydrophobicContact CE2-CB 4.21Å; Y81-L95 HydrophobicContact CG-CD2 4.33Å; Y81-L137 HydrophobicContact CD1-CD2 4.23Å; Y81-V148 HydrophobicContact CD1-CG1 4.25Å; Y81-V148 HydrophobicContact CE1-CG1 3.8Å; Y81-V148 HydrophobicContact CE1-CG2 4.42Å
82C98.9Very high98.6Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-61.1-38.3177-67.20000112.7Y79 E80 Q85 A86 F144 I146Y79-C82 WeakPolarHBondContact O-CB 3.5Å; Y79-C82 PolarHBondContact O-N 3.2Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 2.86Å; C82-Q85 PolarHBondContact O-N 3.36Å; C82-A86 WeakPolarHBondContact O-CB 3.12Å; C82-A86 PolarHBondContact O-N 3.41Å; C82-F144 HydrophobicContact CB-CD2 4.23Å; C82-I146 HydrophobicContact CB-CD1 3.92Å; C82-I146 VanDerWaalsContact O-CD1 3.31Å; C82-I146 WeakPolarHBondContact O-CD1 3.39Å
83V98.7Very high98.6Very high22 Ų2225.9 Ų25.913%0.13313%0.13CC..Hα-helixtrans-58.3-51174.1-173.90000109.6R18 Y79 E80 Y81 Q85 A86 D87 F144R18-V83 VanDerWaalsContact NH2-CB 3.32Å; Y79-V83 HydrophobicContact CD1-CG2 4.15Å; Y79-V83 HydrophobicContact CE1-CG2 3.89Å; Y79-V83 PolarHBondContact O-N 3.15Å; E80-V83 WeakPolarHBondContact O-CB 3.33Å; E80-V83 PolarHBondContact O-N 2.88Å; Y81-V83 VanDerWaalsContact C-N 3.3Å; Y81-V83 PolarHBondContact O-N 3.02Å; V83-Q85 VanDerWaalsContact C-N 3.35Å; V83-Q85 PolarHBondContact O-N 3.2Å; V83-A86 PolarHBondContact O-N 3.42Å; V83-D87 PolarHBondContact O-N 2.98Å; V83-F144 HydrophobicContact CB-CE2 4.18Å; V83-F144 HydrophobicContact CB-CZ 4.13Å; V83-F144 HydrophobicContact CG1-CE1 4.34Å; V83-F144 HydrophobicContact CG1-CZ 4.17Å; V83-F144 HydrophobicContact CG2-CD2 4.3Å; V83-F144 HydrophobicContact CG2-CE1 4.37Å; V83-F144 HydrophobicContact CG2-CE2 3.4Å; V83-F144 VanDerWaalsContact CG2-CE2 3.4Å; V83-F144 HydrophobicContact CG2-CZ 3.47Å; V83-F144 VanDerWaalsContact CG2-CZ 3.47Å
84T98.5Very high98.6Very high41 Ų4125.8 Ų25.825%0.25213%0.13SC..Hα-helixtrans-61.7-40.6-179.1-55.70000112.2R18 E80 Y81 D87 N88R18-T84 PolarHBondContact NE-OG1 3.32Å; R18-T84 PolarHBondContact NH2-OG1 3.44Å; E80-T84 PolarHBondContact O-N 3.49Å; E80-T84 PolarHBondContact O-OG1 3.06Å; E80-T84 VanDerWaalsContact O-OG1 3.06Å; Y81-T84 PolarHBondContact O-N 3.22Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; T84-D87 PolarHBondContact O-N 2.93Å; T84-N88 PolarHBondContact O-N 3.45Å; T84-N88 PolarHBondContact O-ND2 3.27Å
85Q98.7Very high98.6Very high5 Ų525.7 Ų25.72%0.02313%0.129CC..Hα-helixtrans-64.9-41.2176.2-68.3-51.876.600111.8E8 Y81 C82 V83 N88 N89 V90 S93 I146E8-Q85 PolarHBondContact OE2-NE2 3.04Å; Y81-Q85 HydrophobicContact CD1-CG 3.96Å; Y81-Q85 HydrophobicContact CE1-CG 3.44Å; Y81-Q85 VanDerWaalsContact CE1-CG 3.44Å; Y81-Q85 HydrophobicContact CE2-CG 4.2Å; Y81-Q85 WeakPolarHBondContact O-CG 3.46Å; Y81-Q85 PolarHBondContact O-N 3.27Å; Y81-Q85 PolarHBondContact OH-NE2 2.98Å; C82-Q85 PolarHBondContact O-N 3.36Å; V83-Q85 VanDerWaalsContact C-N 3.35Å; V83-Q85 PolarHBondContact O-N 3.2Å; Q85-N88 CarbonylContact O-C 3.56Å; Q85-N88 PolarHBondContact O-N 3.39Å; Q85-N89 PolarHBondContact O-N 2.88Å; Q85-N89 VanDerWaalsContact O-N 3.15Å; Q85-V90 HydrophobicContact CB-CB 4.07Å; Q85-V90 WeakPolarHBondContact O-CB 3.38Å; Q85-V90 PolarHBondContact O-N 3.22Å; Q85-S93 PolarHBondContact NE2-OG 2.83Å; Q85-I146 HydrophobicContact CB-CD1 3.73Å
86A98.3Very high98.6Very high27 Ų2723 Ų2322%0.22312%0.116CC..Hα-helixtrans-63.1-43.3175.900000111.9C82 V83 N88 N89 F144 I146C82-A86 WeakPolarHBondContact O-CB 3.12Å; C82-A86 PolarHBondContact O-N 3.41Å; V83-A86 PolarHBondContact O-N 3.42Å; A86-N88 PolarHBondContact O-N 2.91Å; A86-N89 WeakPolarHBondContact O-CA 3.47Å; A86-N89 PolarHBondContact O-N 3.15Å; A86-F144 HydrophobicContact CB-CB 3.8Å; A86-F144 HydrophobicContact CB-CD1 4.13Å; A86-F144 HydrophobicContact CB-CG 4.1Å; A86-I146 HydrophobicContact CB-CG2 4.19Å
87D97.9Very high98.6Very high117 Ų11719.1 Ų19.163%0.62610%0.102SC*.Hα-helixtrans-62.5-31.3176-69.3-23.9000112.4V83 T84 N89V83-D87 PolarHBondContact O-N 2.98Å; T84-D87 PolarHBondContact O-N 2.93Å; D87-N89 VanDerWaalsContact C-N 3.26Å; D87-N89 PolarHBondContact O-N 2.92Å
88N98.1Very high98.6Very high16 Ų1619 Ų199%0.08610%0.102CC..THydrogen-bonded Turntrans-84.83173.9-77.4-75.9000113.9K6 T84 Q85 A86 V90 S300 M301 N302K6-N88 PolarHBondContact NZ-O 3.48Å; T84-N88 PolarHBondContact O-N 3.45Å; T84-N88 PolarHBondContact O-ND2 3.27Å; Q85-N88 CarbonylContact O-C 3.56Å; Q85-N88 PolarHBondContact O-N 3.39Å; A86-N88 PolarHBondContact O-N 2.91Å; N88-V90 HydrophobicContact CB-CG2 3.97Å; N88-V90 PolarHBondContact O-N 3.07Å; N88-S300 WeakPolarHBondContact OD1-CB 3.45Å; N88-M301 HydrophobicContact CB-CB 4.22Å; N88-N302 PolarHBondContact OD1-ND2 3.28Å
89N97.7Very high98.6Very high51 Ų5119 Ų1927%0.27310%0.102SC..THydrogen-bonded Turntrans54.136.4-175.7-157.847.8000112.6A2 H3 L4 P5 K6 Q85 A86 D87A2-N89 VanDerWaalsContact O-CB 3.3Å; A2-N89 WeakPolarHBondContact O-CB 3.46Å; H3-N89 PolarHBondContact O-ND2 3.05Å; L4-N89 PolarHBondContact N-ND2 3.21Å; L4-N89 PolarHBondContact O-ND2 2.65Å; P5-N89 WeakPolarHBondContact CA-O 3.43Å; K6-N89 PolarHBondContact N-O 2.88Å; Q85-N89 PolarHBondContact O-N 2.88Å; Q85-N89 VanDerWaalsContact O-N 3.15Å; A86-N89 WeakPolarHBondContact O-CA 3.47Å; A86-N89 PolarHBondContact O-N 3.15Å; D87-N89 VanDerWaalsContact C-N 3.26Å; D87-N89 PolarHBondContact O-N 2.92Å
90V98.6Very high98.6Very high1 Ų115.6 Ų15.61%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-82.5113.9170.8-179.90000107.7K6 E8 Q85 N88 Y92 I146 M301K6-V90 HydrophobicContact CB-CG2 4.06Å; K6-V90 WeakPolarHBondContact O-CA 3.46Å; E8-V90 HydrophobicContact CB-CG1 4.18Å; Q85-V90 HydrophobicContact CB-CB 4.07Å; Q85-V90 WeakPolarHBondContact O-CB 3.38Å; Q85-V90 PolarHBondContact O-N 3.22Å; N88-V90 HydrophobicContact CB-CG2 3.97Å; N88-V90 PolarHBondContact O-N 3.07Å; V90-Y92 WeakPolarHBondContact CG1-O 3.27Å; V90-I146 WeakPolarHBondContact O-CG2 3.5Å; V90-M301 HydrophobicContact CG2-CB 3.91Å; V90-M301 HydrophobicContact CG2-CG 3.76Å
91I98Very high98.5Very high12 Ų1214.8 Ų14.86%0.0629%0.085CC..EExtended strand (participates in β ladder)trans-90.5-21.5-175.258.8162.2000112.9P5 K6 I7 Q147 L340 K343 V344P5-I91 HydrophobicContact CB-CB 4.5Å; P5-I91 HydrophobicContact CB-CD1 3.72Å; P5-I91 HydrophobicContact CB-CG1 3.92Å; P5-I91 HydrophobicContact CB-CG2 3.76Å; K6-I91 WeakPolarHBondContact O-CG1 3.3Å; K6-I91 PolarHBondContact O-N 2.99Å; I7-I91 HydrophobicContact CG1-CG1 4.4Å; I91-Q147 PolarHBondContact O-N 3.12Å; I91-Q147 VanDerWaalsContact O-N 3.13Å; I91-L340 HydrophobicContact CD1-CD1 3.65Å; I91-L340 HydrophobicContact CG1-CD1 4.05Å; I91-K343 HydrophobicContact CD1-CB 4.41Å; I91-K343 HydrophobicContact CD1-CD 3.87Å; I91-K343 HydrophobicContact CD1-CG 4.06Å; I91-V344 HydrophobicContact CD1-CG2 3.99Å
92Y98.8Very high98.5Very high1 Ų114.6 Ų14.60%0.0048%0.084CC..EExtended strand (participates in β ladder)trans-142135.8173.3176.1-106.3000109.9I7 E8 L9 V90 E94 Q147 R149 A330 L332 L340I7-Y92 WeakPolarHBondContact CA-O 3.47Å; I7-Y92 HydrophobicContact CG2-CD1 3.75Å; E8-Y92 PolarHBondContact N-O 3.32Å; E8-Y92 VanDerWaalsContact N-O 3.14Å; L9-Y92 HydrophobicContact CD2-CD1 4.15Å; L9-Y92 HydrophobicContact CD2-CE1 3.74Å; V90-Y92 WeakPolarHBondContact CG1-O 3.27Å; Y92-E94 HydrophobicContact CE1-CG 3.71Å; Y92-E94 VanDerWaalsContact CE1-OE1 3.31Å; Y92-E94 WeakPolarHBondContact CE1-OE1 3.39Å; Y92-E94 WeakPolarHBondContact OH-CG 3.25Å; Y92-E94 PolarHBondContact OH-OE1 2.75Å; Y92-Q147 CarbonylContact C-O 3.5Å; Y92-Q147 VanDerWaalsContact CA-O 3.22Å; Y92-Q147 WeakPolarHBondContact CA-O 3.38Å; Y92-Q147 HydrophobicContact CD2-CB 3.94Å; Y92-Q147 HydrophobicContact CD2-CG 3.73Å; Y92-Q147 HydrophobicContact CE2-CG 4.07Å; Y92-R149 HydrophobicContact CE2-CG 3.91Å; Y92-A330 HydrophobicContact CD1-CB 3.99Å; Y92-A330 HydrophobicContact CE1-CB 3.34Å; Y92-L332 HydrophobicContact CD2-CD1 3.98Å; Y92-L332 HydrophobicContact CE1-CD1 4.36Å; Y92-L332 HydrophobicContact CE1-CG 4.48Å; Y92-L332 HydrophobicContact CE2-CD1 3.67Å; Y92-L332 HydrophobicContact CE2-CD2 3.71Å; Y92-L332 HydrophobicContact CE2-CG 3.78Å; Y92-L332 HydrophobicContact CG-CD1 4.44Å; Y92-L340 HydrophobicContact CD1-CD2 3.67Å; Y92-L340 HydrophobicContact CD2-CD2 4.31Å; Y92-L340 HydrophobicContact CE1-CD2 4.47Å; Y92-L340 HydrophobicContact CG-CD2 3.58Å
93S98.9Very high98.5Very high1 Ų114.6 Ų14.61%0.0078%0.084CC..EExtended strand (participates in β ladder)trans-146.1145.4176.1-174.50000113.7E8 Y81 Q85 Q147 V148 R149E8-S93 CarbonylContact O-C 3.52Å; E8-S93 WeakPolarHBondContact O-CA 3.49Å; E8-S93 PolarHBondContact O-OG 2.88Å; Y81-S93 PolarHBondContact OH-OG 3.02Å; Q85-S93 PolarHBondContact NE2-OG 2.83Å; S93-Q147 PolarHBondContact N-O 3.09Å; S93-V148 CarbonylContact O-C 3.57Å; S93-V148 WeakPolarHBondContact O-CA 3.44Å; S93-R149 PolarHBondContact O-N 2.99Å
94E98.9Very high98.4Very high0 Ų013.8 Ų13.80%08%0.079CC..EExtended strand (participates in β ladder)trans-114.8101.7170.4-65.3174.9-15700109.2E8 L9 Y92 R149 L151 V178 R231 A330 F331E8-E94 PolarHBondContact O-N 3.36Å; L9-E94 HydrophobicContact CD2-CG 4.23Å; Y92-E94 HydrophobicContact CE1-CG 3.71Å; Y92-E94 VanDerWaalsContact CE1-OE1 3.31Å; Y92-E94 WeakPolarHBondContact CE1-OE1 3.39Å; Y92-E94 WeakPolarHBondContact OH-CG 3.25Å; Y92-E94 PolarHBondContact OH-OE1 2.75Å; E94-R149 WeakPolarHBondContact CA-O 3.49Å; E94-R149 HydrophobicContact CG-CB 4.27Å; E94-L151 HydrophobicContact CB-CD1 4.35Å; E94-V178 HydrophobicContact CG-CG2 4.34Å; E94-R231 VanDerWaalsContact CD-NH1 3.33Å; E94-R231 IonicContact OE1-NH1 3.96Å; E94-R231 PolarHBondContact OE1-NH1 3.2Å; E94-R231 IonicContact OE2-CZ 3.87Å; E94-R231 IonicContact OE2-NH1 3.2Å; E94-R231 PolarHBondContact OE2-NH1 3.14Å; E94-R231 IonicContact OE2-NH2 3.16Å; E94-R231 PolarHBondContact OE2-NH2 3.04Å; E94-A330 WeakPolarHBondContact OE1-CA 3.37Å; E94-F331 PolarHBondContact OE1-N 3.06Å; E94-F331 WeakPolarHBondContact OE2-CD2 3.42Å
95L98.7Very high98.3Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-84.4149.8172.264.7106.8000110.6I11 L13 Y81 Y97 I133 L137 V148 R149 S150 L151I11-L95 HydrophobicContact CG2-CB 4.33Å; I11-L95 CarbonylContact O-C 3.26Å; I11-L95 VanDerWaalsContact O-CA 3.31Å; I11-L95 WeakPolarHBondContact O-CA 3.26Å; L13-L95 HydrophobicContact CB-CD1 3.69Å; L13-L95 HydrophobicContact CD1-CD1 4.31Å; L13-L95 HydrophobicContact CD2-CD1 4Å; L13-L95 HydrophobicContact CG-CD1 4.2Å; Y81-L95 HydrophobicContact CD1-CD2 3.64Å; Y81-L95 HydrophobicContact CE1-CB 4.16Å; Y81-L95 HydrophobicContact CE1-CD2 3.46Å; Y81-L95 VanDerWaalsContact CE1-CD2 3.46Å; Y81-L95 HydrophobicContact CE1-CG 4.47Å; Y81-L95 HydrophobicContact CE2-CB 4.21Å; Y81-L95 HydrophobicContact CG-CD2 4.33Å; L95-Y97 HydrophobicContact CD1-CD1 3.69Å; L95-Y97 HydrophobicContact CD1-CE1 3.96Å; L95-I133 HydrophobicContact CD1-CG2 4.45Å; L95-L137 HydrophobicContact CD1-CD1 4.45Å; L95-L137 HydrophobicContact CD2-CD1 3.76Å; L95-L137 HydrophobicContact CD2-CD2 3.45Å; L95-L137 VanDerWaalsContact CD2-CD2 3.45Å; L95-L137 HydrophobicContact CD2-CG 4.23Å; L95-L137 HydrophobicContact CG-CD1 4.49Å; L95-V148 HydrophobicContact CD2-CG1 3.34Å; L95-V148 HydrophobicContact CG-CG1 4.45Å; L95-R149 PolarHBondContact N-O 3.19Å; L95-S150 CarbonylContact O-C 3.35Å; L95-S150 WeakPolarHBondContact O-CA 3.41Å; L95-L151 PolarHBondContact O-N 2.97Å
96R98.9Very high98.2Very high0 Ų015.8 Ų15.80%09%0.086CC..EExtended strand (participates in β ladder)trans-123.2151.5177.569.5-16556.4-1599.2110.7L9 H10 I11 H12 L13 L151 D181 E256L9-R96 PolarHBondContact O-NH2 2.97Å; H10-R96 PolarHBondContact CE1-NH1 3.33Å; H10-R96 VanDerWaalsContact CE1-NH1 3.31Å; H10-R96 VanDerWaalsContact ND1-CZ 3.35Å; H10-R96 PolarHBondContact ND1-NH1 3.15Å; H10-R96 PolarHBondContact ND1-NH2 3.16Å; I11-R96 WeakPolarHBondContact O-CG 3.38Å; I11-R96 PolarHBondContact O-N 3.09Å; H12-R96 CarbonylContact C-O 3.48Å; H12-R96 VanDerWaalsContact CA-O 3.26Å; H12-R96 WeakPolarHBondContact CA-O 3.41Å; H12-R96 HydrophobicContact CB-CG 4.34Å; H12-R96 VanDerWaalsContact CE1-CD 3.45Å; H12-R96 WeakPolarHBondContact CE1-CD 3.2Å; H12-R96 WeakPolarHBondContact ND1-CG 3.42Å; L13-R96 PolarHBondContact N-O 3.44Å; R96-L151 WeakPolarHBondContact CA-O 3.25Å; R96-L151 HydrophobicContact CB-CB 3.86Å; R96-L151 HydrophobicContact CB-CD1 4.41Å; R96-D181 VanDerWaalsContact CD-OD2 3.31Å; R96-D181 WeakPolarHBondContact CD-OD2 3.41Å; R96-D181 IonicContact CZ-OD2 2.6Å; R96-D181 IonicContact NE-OD2 3.46Å; R96-D181 IonicContact NH1-OD1 3.6Å; R96-D181 IonicContact NH1-OD2 2.62Å; R96-D181 PolarHBondContact NH1-OD2 3.46Å; R96-E256 IonicContact CZ-OE2 3.93Å; R96-E256 IonicContact NH1-OE2 3.28Å; R96-E256 PolarHBondContact NH1-OE2 3.47Å; R96-E256 IonicContact NH2-OE1 2.72Å; R96-E256 PolarHBondContact NH2-OE1 2.89Å; R96-E256 IonicContact NH2-OE2 3.13Å; R96-E256 PolarHBondContact NH2-OE2 2.79Å
97Y98.8Very high97.8Very high0 Ų018.5 Ų18.50%010%0.104CC..EExtended strand (participates in β ladder)trans-163.9158.2175.562.2-81.7000109.9L13 L95 P99 L102 V129 V130 I133 L151 L152 C153L13-Y97 HydrophobicContact CD2-CD1 4.47Å; L95-Y97 HydrophobicContact CD1-CD1 3.69Å; L95-Y97 HydrophobicContact CD1-CE1 3.96Å; Y97-P99 HydrophobicContact CE2-CB 4.08Å; Y97-P99 WeakPolarHBondContact O-CD 3.29Å; Y97-L102 HydrophobicContact CD2-CD1 4.08Å; Y97-V129 HydrophobicContact CD2-CG1 4.46Å; Y97-V129 HydrophobicContact CE2-CG1 4.07Å; Y97-V130 HydrophobicContact CE2-CG2 4.41Å; Y97-V130 WeakPolarHBondContact OH-CA 3.35Å; Y97-I133 HydrophobicContact CD1-CD1 4.12Å; Y97-I133 HydrophobicContact CD2-CD1 3.59Å; Y97-I133 HydrophobicContact CE1-CB 4.46Å; Y97-I133 HydrophobicContact CE1-CD1 3.84Å; Y97-I133 HydrophobicContact CE1-CG2 3.8Å; Y97-I133 HydrophobicContact CE2-CD1 3.29Å; Y97-I133 HydrophobicContact CG-CD1 4Å; Y97-I133 VanDerWaalsContact CZ-CD1 3.42Å; Y97-L151 PolarHBondContact N-O 3.13Å; Y97-L152 HydrophobicContact CE1-CD2 3.9Å; Y97-L152 HydrophobicContact CE2-CD2 3.8Å; Y97-L152 VanDerWaalsContact CZ-CD2 3.44Å; Y97-L152 WeakPolarHBondContact OH-CD2 3.47Å; Y97-C153 PolarHBondContact O-N 3.4Å
98S98.5Very high97.5Very high2 Ų216.5 Ų16.51%0.0149%0.093CC..  trans-93.5115.7167.6-1730000110.7H100 L101 C153 I155S98-H100 PolarHBondContact O-N 3.4Å; S98-L101 PolarHBondContact O-N 3.2Å; S98-C153 PolarHBondContact OG-O 2.94Å; S98-I155 WeakPolarHBondContact OG-CG1 3.48Å
99P98.7Very high97.4Very high0 Ų016.1 Ų16.10%09%0.091CC..THydrogen-bonded Turntrans-62.7-27.1177.125.1-32.7000112.2Y97 L102 S103 P126 V129 V130 L152 L168Y97-P99 HydrophobicContact CE2-CB 4.08Å; Y97-P99 WeakPolarHBondContact O-CD 3.29Å; P99-L102 PolarHBondContact O-N 3.04Å; P99-S103 WeakPolarHBondContact O-CB 3.25Å; P99-S103 PolarHBondContact O-N 3.01Å; P99-P126 HydrophobicContact CB-CB 3.97Å; P99-P126 WeakPolarHBondContact CB-O 3.49Å; P99-P126 HydrophobicContact CG-CB 4.42Å; P99-V129 HydrophobicContact CB-CB 4.31Å; P99-V129 HydrophobicContact CB-CG1 4.27Å; P99-V130 HydrophobicContact CB-CG2 3.84Å; P99-V130 HydrophobicContact CG-CG2 4.28Å; P99-L152 HydrophobicContact CG-CD2 4.48Å; P99-L168 HydrophobicContact CB-CD1 4.45Å; P99-L168 HydrophobicContact CG-CD1 4.02Å
100H98.4Very high97.2Very high1 Ų115.2 Ų15.21%0.0059%0.088CC..THydrogen-bonded Turntrans-68.4-39.4176.7-63.374.1000112.8S98 L102 S103 I106 N109 W161 E164S98-H100 PolarHBondContact O-N 3.4Å; H100-L102 PolarHBondContact O-N 3.44Å; H100-S103 PolarHBondContact O-N 3.47Å; H100-I106 HydrophobicContact CB-CG1 4.14Å; H100-N109 PolarHBondContact O-ND2 3.25Å; H100-W161 HydrophobicContact CB-CD2 3.62Å; H100-W161 HydrophobicContact CB-CE3 3.28Å; H100-W161 HydrophobicContact CB-CG 4.19Å; H100-W161 HydrophobicContact CB-CH2 4.37Å; H100-W161 HydrophobicContact CB-CZ3 3.7Å; H100-W161 AromaticContact CD2-CD1 4Å; H100-W161 AromaticContact CD2-CD2 3.87Å; H100-W161 AromaticContact CD2-CG 3.52Å; H100-W161 AromaticContact CG-CD2 3.8Å; H100-W161 AromaticContact CG-CE3 3.82Å; H100-W161 AromaticContact CG-CG 3.82Å; H100-E164 IonicContact CD2-OE2 3.43Å; H100-E164 IonicContact CE1-OE2 3.26Å; H100-E164 IonicContact NE2-OE2 3.09Å; H100-E164 PolarHBondContact NE2-OE2 3.46Å
101L97.8Very high97Very high10 Ų1016.6 Ų16.65%0.0529%0.094CC..THydrogen-bonded Turntrans-67.9-22.8178.1-66.2178.7000113.1I68 S98 N109 P110 Y111 I155 W161I68-L101 WeakPolarHBondContact CG1-O 3.35Å; S98-L101 PolarHBondContact O-N 3.2Å; L101-N109 VanDerWaalsContact C-ND2 3.29Å; L101-N109 PolarHBondContact O-ND2 3.19Å; L101-P110 HydrophobicContact CD2-CG 3.92Å; L101-Y111 HydrophobicContact CB-CD2 4.32Å; L101-Y111 HydrophobicContact CD1-CD2 4.38Å; L101-Y111 HydrophobicContact CD1-CE2 3.84Å; L101-Y111 HydrophobicContact CD2-CD2 3.82Å; L101-Y111 HydrophobicContact CD2-CE2 3.78Å; L101-Y111 HydrophobicContact CG-CD2 4.39Å; L101-Y111 HydrophobicContact CG-CE2 4.28Å; L101-I155 HydrophobicContact CD1-CD1 3.98Å; L101-I155 HydrophobicContact CD1-CG1 4.12Å; L101-I155 HydrophobicContact CG-CG1 4.37Å; L101-W161 HydrophobicContact CD2-CH2 3.95Å; L101-W161 HydrophobicContact CD2-CZ3 3.73Å; L101-W161 HydrophobicContact CG-CZ3 4.24Å
102L98.5Very high96.9Very high0 Ų018.7 Ų18.70%010%0.101CC..THydrogen-bonded Turntrans-99.7-4.3179.4-54179.7000113.1D14 I64 L67 I68 G69 L74 Y97 P99 H100 V129 I133D14-L102 HydrophobicContact CB-CD2 4.16Å; I64-L102 HydrophobicContact CG2-CD2 4.34Å; L67-L102 HydrophobicContact CB-CD2 3.99Å; L67-L102 HydrophobicContact CD1-CD2 4.06Å; I68-L102 WeakPolarHBondContact CA-O 3.36Å; G69-L102 PolarHBondContact N-O 3.44Å; L74-L102 HydrophobicContact CD2-CB 3.98Å; L74-L102 HydrophobicContact CD2-CD1 3.73Å; L74-L102 HydrophobicContact CD2-CG 4.33Å; Y97-L102 HydrophobicContact CD2-CD1 4.08Å; P99-L102 PolarHBondContact O-N 3.04Å; H100-L102 PolarHBondContact O-N 3.44Å; L102-V129 HydrophobicContact CB-CG1 3.77Å; L102-V129 HydrophobicContact CB-CG2 4.12Å; L102-V129 HydrophobicContact CD1-CG1 3.98Å; L102-V129 HydrophobicContact CG-CG1 4.46Å; L102-I133 HydrophobicContact CD1-CD1 4.07Å
103S98.4Very high96.6Very high0 Ų019 Ų190%010%0.103CC..  trans-85.7134.9176.9171.30000111.3P99 H100 M105 N109 V124P99-S103 WeakPolarHBondContact O-CB 3.25Å; P99-S103 PolarHBondContact O-N 3.01Å; H100-S103 PolarHBondContact O-N 3.47Å; S103-M105 VanDerWaalsContact C-N 3.32Å; S103-M105 WeakPolarHBondContact OG-CB 3.08Å; S103-M105 PolarHBondContact OG-N 3.06Å; S103-N109 PolarHBondContact O-ND2 2.88Å; S103-N109 VanDerWaalsContact O-ND2 3.16Å; S103-V124 WeakPolarHBondContact CB-O 3.17Å; S103-V124 PolarHBondContact OG-O 3.27Å
104N97.2Very high96.2Very high4 Ų422.9 Ų22.92%0.02113%0.13CC..SBendtrans-85.4-3.8169.367.19.6000112.7I68 G69 R112 K121 G122 D123 V124I68-N104 HydrophobicContact CG2-CB 3.96Å; G69-N104 WeakPolarHBondContact CA-ND2 3.21Å; N104-R112 PolarHBondContact O-NH2 2.7Å; N104-K121 VanDerWaalsContact O-CA 3.29Å; N104-K121 WeakPolarHBondContact O-CA 3.47Å; N104-G122 PolarHBondContact O-N 2.88Å; N104-G122 VanDerWaalsContact OD1-C 3.23Å; N104-G122 WeakPolarHBondContact OD1-CA 3.49Å; N104-D123 PolarHBondContact OD1-N 2.82Å; N104-V124 WeakPolarHBondContact OD1-CB 3.01Å; N104-V124 PolarHBondContact OD1-N 2.72Å; N104-V124 PolarHBondContact OD1-O 2.89Å
105M96.9Very high95.9Very high67 Ų6727 Ų2733%0.3315%0.152SC..SBendtrans-82.6-21.6178-164.6179.9-72.400112.5S103 S107 K121 D123 A125S103-M105 VanDerWaalsContact C-N 3.32Å; S103-M105 WeakPolarHBondContact OG-CB 3.08Å; S103-M105 PolarHBondContact OG-N 3.06Å; M105-S107 PolarHBondContact O-N 2.91Å; M105-K121 WeakPolarHBondContact O-CE 3.44Å; M105-D123 VanDerWaalsContact CE-O 3.27Å; M105-D123 WeakPolarHBondContact CE-O 3.31Å; M105-A125 HydrophobicContact CE-CB 3.8Å; M105-A125 HydrophobicContact SD-CB 3.96Å
106I95.7Very high95.6Very high21 Ų2128 Ų2811%0.10816%0.163CC..  trans-76.6113.7179.6-59-55.1000110.5H100 N108 N109 R112 P126 W161H100-I106 HydrophobicContact CB-CG1 4.14Å; I106-N108 VanDerWaalsContact CG2-OD1 3.25Å; I106-N108 WeakPolarHBondContact CG2-OD1 3.26Å; I106-N109 HydrophobicContact CB-CB 4.19Å; I106-N109 HydrophobicContact CG2-CB 4.08Å; I106-N109 WeakPolarHBondContact O-CB 3.4Å; I106-N109 PolarHBondContact O-N 2.6Å; I106-R112 PolarHBondContact O-NH2 2.85Å; I106-P126 HydrophobicContact CD1-CG 3.89Å; I106-P126 HydrophobicContact CG1-CG 4.18Å; I106-W161 HydrophobicContact CG2-CH2 4.15Å; I106-W161 HydrophobicContact CG2-CZ2 3.38Å
107S90.5Very high95.3Very high85 Ų8532.3 Ų32.359%0.59419%0.191SC*.THydrogen-bonded Turntrans-66.4-40.3-174.3-60.10000112.8M105 N109M105-S107 PolarHBondContact O-N 2.91Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 3.14Å
108N92.4Very high95.1Very high74 Ų7434.9 Ų34.940%0.39620%0.201SC..THydrogen-bonded Turntrans-92.523.3-178.761.2-25.5000113.3I106 P110 Y158 W161I106-N108 VanDerWaalsContact CG2-OD1 3.25Å; I106-N108 WeakPolarHBondContact CG2-OD1 3.26Å; N108-P110 WeakPolarHBondContact O-CD 3.46Å; N108-Y158 WeakPolarHBondContact O-CE1 3.39Å; N108-W161 WeakPolarHBondContact OD1-CZ2 3.24Å; N108-W161 PolarHBondContact OD1-NE1 2.88Å
109N94.6Very high94.8Very high8 Ų842.7 Ų42.74%0.04323%0.23CC..  trans-65.1118.4176.7-176.4-29.6000110.1H100 L101 S103 I106 S107 Y111 R112H100-N109 PolarHBondContact O-ND2 3.25Å; L101-N109 VanDerWaalsContact C-ND2 3.29Å; L101-N109 PolarHBondContact O-ND2 3.19Å; S103-N109 PolarHBondContact O-ND2 2.88Å; S103-N109 VanDerWaalsContact O-ND2 3.16Å; I106-N109 HydrophobicContact CB-CB 4.19Å; I106-N109 HydrophobicContact CG2-CB 4.08Å; I106-N109 WeakPolarHBondContact O-CB 3.4Å; I106-N109 PolarHBondContact O-N 2.6Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 3.14Å; N109-Y111 PolarHBondContact O-N 3.46Å; N109-Y111 PolarHBondContact OD1-N 3.25Å; N109-R112 PolarHBondContact O-N 3.47Å
110P93.7Very high94.4Very high33 Ų3345.8 Ų45.821%0.21426%0.255CS..THydrogen-bonded Turntrans-68.2-21.2-174.727.3-34.6000113.4R61 L101 N108 Y158R61-P110 VanDerWaalsContact CZ-O 3.27Å; R61-P110 PolarHBondContact NH1-O 3.47Å; R61-P110 PolarHBondContact NH2-O 2.91Å; L101-P110 HydrophobicContact CD2-CG 3.92Å; N108-P110 WeakPolarHBondContact O-CD 3.46Å; P110-Y158 HydrophobicContact CG-CE2 4.39Å; P110-Y158 WeakPolarHBondContact CG-OH 3.37Å
111Y95.3Very high94.1Very high30 Ų3052.1 Ų52.112%0.11828%0.283CS..THydrogen-bonded Turntrans-99.28.1-175.3-56.8-60.7000113.5F60 R61 I64 P65 I68 L101 N109F60-Y111 HydrophobicContact CB-CE1 3.86Å; R61-Y111 HydrophobicContact CB-CD1 4.28Å; R61-Y111 HydrophobicContact CB-CE1 4.49Å; R61-Y111 HydrophobicContact CG-CD1 3.77Å; R61-Y111 HydrophobicContact CG-CE1 3.69Å; I64-Y111 HydrophobicContact CB-CD1 4.46Å; I64-Y111 HydrophobicContact CB-CD2 4.46Å; I64-Y111 HydrophobicContact CB-CG 4.11Å; I64-Y111 HydrophobicContact CG2-CD2 3.85Å; I64-Y111 HydrophobicContact CG2-CG 3.77Å; P65-Y111 WeakPolarHBondContact CG-O 3.25Å; I68-Y111 VanDerWaalsContact CD1-C 3.41Å; I68-Y111 WeakPolarHBondContact CD1-O 3.22Å; L101-Y111 HydrophobicContact CB-CD2 4.32Å; L101-Y111 HydrophobicContact CD1-CD2 4.38Å; L101-Y111 HydrophobicContact CD1-CE2 3.84Å; L101-Y111 HydrophobicContact CD2-CD2 3.82Å; L101-Y111 HydrophobicContact CD2-CE2 3.78Å; L101-Y111 HydrophobicContact CG-CD2 4.39Å; L101-Y111 HydrophobicContact CG-CE2 4.28Å; N109-Y111 PolarHBondContact O-N 3.46Å; N109-Y111 PolarHBondContact OD1-N 3.25Å
112R94.3Very high94Very high56 Ų5653 Ų5321%0.21129%0.294CS..  trans-50.2126.4178.3-179.4172.4-71.7-740110.8N104 I106 N109 R119 A120N104-R112 PolarHBondContact O-NH2 2.7Å; I106-R112 PolarHBondContact O-NH2 2.85Å; N109-R112 PolarHBondContact O-N 3.47Å; R112-R119 VanDerWaalsContact CD-O 3.28Å; R112-R119 WeakPolarHBondContact CD-O 3.45Å; R112-R119 WeakPolarHBondContact CG-O 3.32Å; R112-R119 PolarHBondContact NH1-O 3.22Å; R112-A120 PolarHBondContact NH1-O 3.47Å
113P92.6Very high93.9Very high8 Ų859.3 Ų59.35%0.05233%0.328CS..  trans-66.7146.2-176.422.3-29.4000111.4I31 P65 N115 R119I31-P113 HydrophobicContact CG1-CB 4.48Å; P65-P113 HydrophobicContact CB-CB 3.71Å; P65-P113 HydrophobicContact CB-CG 4.32Å; P113-N115 WeakPolarHBondContact CB-O 3.41Å; P113-R119 WeakPolarHBondContact O-CA 3.38Å; P113-R119 VanDerWaalsContact O-CB 3.24Å; P113-R119 WeakPolarHBondContact O-CB 3.41Å
114S91.7Very high93.9Very high82 Ų8259.6 Ų59.657%0.57333%0.33SS*.SBendtrans-73.8-29.1171.451.40000112.7
115N93.2Very high93.9Very high85 Ų8560.6 Ų60.646%0.45534%0.338SS..SBendtrans-127.9170-174.3-74.940.5000111.6Q30 P113Q30-N115 WeakPolarHBondContact O-CB 3.42Å; P113-N115 WeakPolarHBondContact CB-O 3.41Å
116G92.1Very high94Very high23 Ų2357.5 Ų57.524%0.23732%0.323CS..SBendtrans84.2-177.5175.600000114.9K29 Y118K29-G116 WeakPolarHBondContact O-CA 3.45Å; G116-Y118 VanDerWaalsContact C-N 3.28Å; G116-Y118 PolarHBondContact O-N 2.6Å
117P93Very high94.1Very high89 Ų8958.4 Ų58.458%0.57833%0.327SS*.THydrogen-bonded Turntrans-68.7-23-168.824.8-32.7000113.9K29K29-P117 HydrophobicContact CG-CG 4.43Å; K29-P117 WeakPolarHBondContact O-CD 3.43Å
118Y93.6Very high94.5Very high55 Ų5558.6 Ų58.622%0.21632%0.317CS..THydrogen-bonded Turntrans-10615.8-173.4-50.6-64000114.3K29 I68 G69 D70 G116 A120K29-Y118 HydrophobicContact CD-CD2 4.31Å; K29-Y118 HydrophobicContact CD-CE2 4.07Å; I68-Y118 VanDerWaalsContact O-CB 3.29Å; I68-Y118 WeakPolarHBondContact O-CB 3.24Å; I68-Y118 VanDerWaalsContact O-CD2 3.26Å; I68-Y118 WeakPolarHBondContact O-CD2 3.5Å; I68-Y118 VanDerWaalsContact O-CG 3.22Å; G69-Y118 WeakPolarHBondContact O-CD1 3.4Å; G69-Y118 WeakPolarHBondContact O-CE1 3.28Å; D70-Y118 HydrophobicContact CB-CD2 4.47Å; D70-Y118 HydrophobicContact CB-CE2 3.66Å; G116-Y118 VanDerWaalsContact C-N 3.28Å; G116-Y118 PolarHBondContact O-N 2.6Å; Y118-A120 PolarHBondContact O-N 3.23Å
119R91.8Very high94.8Very high166 Ų16655 Ų5563%0.62630%0.298SS*.SBendtrans-63.7-29.1177.770.3-177.4-176.3127.51.7113.3R112 P113R112-R119 VanDerWaalsContact CD-O 3.28Å; R112-R119 WeakPolarHBondContact CD-O 3.45Å; R112-R119 WeakPolarHBondContact CG-O 3.32Å; R112-R119 PolarHBondContact NH1-O 3.22Å; P113-R119 WeakPolarHBondContact O-CA 3.38Å; P113-R119 VanDerWaalsContact O-CB 3.24Å; P113-R119 WeakPolarHBondContact O-CB 3.41Å
120A91.2Very high95Very high64 Ų6454.7 Ų54.753%0.52930%0.296SS..SBendtrans-97.9165.4178.500000111.8R112 Y118 G122R112-A120 PolarHBondContact NH1-O 3.47Å; Y118-A120 PolarHBondContact O-N 3.23Å; A120-G122 PolarHBondContact O-N 2.83Å
121K92.8Very high95.3Very high134 Ų13456.6 Ų56.658%0.58330%0.303SS*.  trans-59.7128.9173.7-176.5174.9173.5164.60109.4N104 M105N104-K121 VanDerWaalsContact O-CA 3.29Å; N104-K121 WeakPolarHBondContact O-CA 3.47Å; M105-K121 WeakPolarHBondContact O-CE 3.44Å
122G94.6Very high95.5Very high28 Ų2855.5 Ų55.529%0.28930%0.299SS..  trans-118.1-157.8179.200000112.9N104 A120N104-G122 PolarHBondContact O-N 2.88Å; N104-G122 VanDerWaalsContact OD1-C 3.23Å; N104-G122 WeakPolarHBondContact OD1-CA 3.49Å; A120-G122 PolarHBondContact O-N 2.83Å
123D95.7Very high95.7Very high133 Ų13352.8 Ų52.871%0.71129%0.289SS*.SBendtrans-110.9-1.1-171.462.2-14.7000114.2N104 M105 A125N104-D123 PolarHBondContact OD1-N 2.82Å; M105-D123 VanDerWaalsContact CE-O 3.27Å; M105-D123 WeakPolarHBondContact CE-O 3.31Å; D123-A125 PolarHBondContact O-N 3.02Å; D123-A125 VanDerWaalsContact O-N 3.12Å
124V98.2Very high96Very high7 Ų752.7 Ų52.74%0.04229%0.288CS..  trans-83.494177.8-178.30000109.3G69 P71 S103 N104 K128 V129G69-V124 WeakPolarHBondContact O-CG2 3.36Å; P71-V124 HydrophobicContact CG-CG2 4.09Å; S103-V124 WeakPolarHBondContact CB-O 3.17Å; S103-V124 PolarHBondContact OG-O 3.27Å; N104-V124 WeakPolarHBondContact OD1-CB 3.01Å; N104-V124 PolarHBondContact OD1-N 2.72Å; N104-V124 PolarHBondContact OD1-O 2.89Å; V124-K128 HydrophobicContact CG1-CB 4.16Å; V124-K128 HydrophobicContact CG1-CG 4.09Å; V124-V129 HydrophobicContact CG1-CG2 4.08Å
125A98.3Very high96.3Very high24 Ų2451.9 Ų51.920%0.19828%0.275CS..  trans-67.2158.8175.600000112.5M105 D123 E127 K128 V129M105-A125 HydrophobicContact CE-CB 3.8Å; M105-A125 HydrophobicContact SD-CB 3.96Å; D123-A125 PolarHBondContact O-N 3.02Å; D123-A125 VanDerWaalsContact O-N 3.12Å; A125-E127 PolarHBondContact O-N 2.68Å; A125-K128 WeakPolarHBondContact O-CB 3.35Å; A125-K128 PolarHBondContact O-N 3.46Å; A125-V129 PolarHBondContact O-N 3.01Å; A125-V129 VanDerWaalsContact O-N 3.16Å
126P98.7Very high96.6Very high3 Ų347.8 Ų47.82%0.01925%0.253CS..Hα-helixtrans-51.9-37.3171.9-27.636.2000113P99 I106 K128 V129 V130 L168P99-P126 HydrophobicContact CB-CB 3.97Å; P99-P126 WeakPolarHBondContact CB-O 3.49Å; P99-P126 HydrophobicContact CG-CB 4.42Å; I106-P126 HydrophobicContact CD1-CG 3.89Å; I106-P126 HydrophobicContact CG1-CG 4.18Å; P126-K128 PolarHBondContact O-N 3.01Å; P126-V129 WeakPolarHBondContact O-CB 3.4Å; P126-V129 PolarHBondContact O-N 3.08Å; P126-V130 PolarHBondContact O-N 2.88Å; P126-L168 HydrophobicContact CB-CD1 4.13Å
127E98.8Very high96.9Very high40 Ų4046.9 Ų46.919%0.18724%0.243CC..Hα-helixtrans-61.7-40.9174.9-173167.2140.200112.9A125 V129 V130 Q131 R167 L168 K171 Y172A125-E127 PolarHBondContact O-N 2.68Å; E127-V129 VanDerWaalsContact C-N 3.29Å; E127-V129 PolarHBondContact O-N 3.07Å; E127-V130 PolarHBondContact O-N 3.05Å; E127-Q131 WeakPolarHBondContact O-CG 3.4Å; E127-Q131 PolarHBondContact O-N 3.11Å; E127-Q131 VanDerWaalsContact O-N 3.09Å; E127-R167 IonicContact OE2-CZ 3.28Å; E127-R167 IonicContact OE2-NH1 2.69Å; E127-R167 PolarHBondContact OE2-NH1 3.37Å; E127-R167 IonicContact OE2-NH2 3.74Å; E127-R167 PolarHBondContact OE2-NH2 3.14Å; E127-L168 HydrophobicContact CB-CD2 3.78Å; E127-L168 HydrophobicContact CG-CD2 3.8Å; E127-K171 VanDerWaalsContact CD-NZ 3.28Å; E127-K171 WeakPolarHBondContact OE1-CE 3.48Å; E127-K171 IonicContact OE1-NZ 2.7Å; E127-K171 PolarHBondContact OE1-NZ 2.75Å; E127-K171 IonicContact OE2-NZ 3.71Å; E127-K171 PolarHBondContact OE2-NZ 2.9Å; E127-Y172 HydrophobicContact CG-CE2 3.92Å; E127-Y172 VanDerWaalsContact CG-OH 3.25Å; E127-Y172 WeakPolarHBondContact CG-OH 3.4Å; E127-Y172 PolarHBondContact OE1-OH 3.41Å
128K98.8Very high97.2Very high88 Ų8847.4 Ų47.438%0.38323%0.233SC..Hα-helixtrans-66.4-34.2177.9-177.357177170.40111.1V124 A125 P126 Q131 C132V124-K128 HydrophobicContact CG1-CB 4.16Å; V124-K128 HydrophobicContact CG1-CG 4.09Å; A125-K128 WeakPolarHBondContact O-CB 3.35Å; A125-K128 PolarHBondContact O-N 3.46Å; P126-K128 PolarHBondContact O-N 3.01Å; K128-Q131 PolarHBondContact O-N 3.39Å; K128-C132 PolarHBondContact O-N 3.07Å; K128-C132 PolarHBondContact O-SG 3.32Å
129V98.9Very high97.4Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-57.9-50.6172.4174.50000110.6L74 Y97 P99 L102 V124 A125 P126 E127 Q131 C132 I133L74-V129 HydrophobicContact CD1-CB 4.28Å; L74-V129 HydrophobicContact CD1-CG1 4.14Å; L74-V129 HydrophobicContact CD1-CG2 3.96Å; L74-V129 HydrophobicContact CD2-CG1 4.29Å; Y97-V129 HydrophobicContact CD2-CG1 4.46Å; Y97-V129 HydrophobicContact CE2-CG1 4.07Å; P99-V129 HydrophobicContact CB-CB 4.31Å; P99-V129 HydrophobicContact CB-CG1 4.27Å; L102-V129 HydrophobicContact CB-CG1 3.77Å; L102-V129 HydrophobicContact CB-CG2 4.12Å; L102-V129 HydrophobicContact CD1-CG1 3.98Å; L102-V129 HydrophobicContact CG-CG1 4.46Å; V124-V129 HydrophobicContact CG1-CG2 4.08Å; A125-V129 PolarHBondContact O-N 3.01Å; A125-V129 VanDerWaalsContact O-N 3.16Å; P126-V129 WeakPolarHBondContact O-CB 3.4Å; P126-V129 PolarHBondContact O-N 3.08Å; E127-V129 VanDerWaalsContact C-N 3.29Å; E127-V129 PolarHBondContact O-N 3.07Å; V129-Q131 VanDerWaalsContact C-N 3.3Å; V129-Q131 PolarHBondContact O-N 3.43Å; V129-C132 PolarHBondContact O-N 2.82Å; V129-I133 HydrophobicContact CG1-CD1 3.75Å; V129-I133 PolarHBondContact O-N 3.18Å
130V98.9Very high97.8Very high0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-57.5-44.7178.4179.50000111.1Y97 P99 P126 E127 C132 I133 N134 L152 L168 Y172 V177Y97-V130 HydrophobicContact CE2-CG2 4.41Å; Y97-V130 WeakPolarHBondContact OH-CA 3.35Å; P99-V130 HydrophobicContact CB-CG2 3.84Å; P99-V130 HydrophobicContact CG-CG2 4.28Å; P126-V130 PolarHBondContact O-N 2.88Å; E127-V130 PolarHBondContact O-N 3.05Å; V130-C132 PolarHBondContact O-N 3.37Å; V130-I133 PolarHBondContact O-N 3.19Å; V130-N134 WeakPolarHBondContact O-CB 3.39Å; V130-N134 VanDerWaalsContact O-CG 3.23Å; V130-N134 PolarHBondContact O-N 3.42Å; V130-N134 PolarHBondContact O-OD1 3.11Å; V130-L152 HydrophobicContact CG2-CD1 4.06Å; V130-L152 HydrophobicContact CG2-CD2 4.03Å; V130-L168 HydrophobicContact CG2-CD1 4.15Å; V130-Y172 HydrophobicContact CB-CD2 4.45Å; V130-Y172 HydrophobicContact CB-CE2 4.41Å; V130-Y172 HydrophobicContact CG1-CD1 3.98Å; V130-Y172 HydrophobicContact CG1-CD2 3.74Å; V130-Y172 HydrophobicContact CG1-CE1 4.3Å; V130-Y172 HydrophobicContact CG1-CE2 4.11Å; V130-Y172 HydrophobicContact CG1-CG 3.68Å; V130-V177 HydrophobicContact CG1-CG2 4.1Å
131Q98.9Very high98.1Very high74 Ų7438.6 Ų38.635%0.34619%0.189SC..Hα-helixtrans-59.5-43.7177.7-67172-3.100113E127 K128 V129 E135 Y172E127-Q131 WeakPolarHBondContact O-CG 3.4Å; E127-Q131 PolarHBondContact O-N 3.11Å; E127-Q131 VanDerWaalsContact O-N 3.09Å; K128-Q131 PolarHBondContact O-N 3.39Å; V129-Q131 VanDerWaalsContact C-N 3.3Å; V129-Q131 PolarHBondContact O-N 3.43Å; Q131-E135 PolarHBondContact O-N 3.19Å; Q131-Y172 HydrophobicContact CG-CE1 4.02Å; Q131-Y172 WeakPolarHBondContact CG-OH 3.26Å; Q131-Y172 PolarHBondContact NE2-OH 3.46Å
132C98.9Very high98.4Very high6 Ų640 Ų404%0.04119%0.191CC..Hα-helixtrans-69.8-40.4-178.2-58.50000111.6L74 K128 V129 V130 E135 G136L74-C132 HydrophobicContact CB-CB 3.94Å; K128-C132 PolarHBondContact O-N 3.07Å; K128-C132 PolarHBondContact O-SG 3.32Å; V129-C132 PolarHBondContact O-N 2.82Å; V130-C132 PolarHBondContact O-N 3.37Å; C132-E135 PolarHBondContact O-N 3.3Å; C132-G136 PolarHBondContact O-N 3.45Å; C132-G136 VanDerWaalsContact O-N 3.07Å
133I98.9Very high98.6Very high0 Ų042.5 Ų42.50%020%0.197CC..Hα-helixtrans-64.7-46.6175.7-70.8166.8000110L13 L74 A78 L95 Y97 L102 V129 V130 E135 G136 L137L13-I133 HydrophobicContact CD2-CD1 3.64Å; L13-I133 HydrophobicContact CD2-CG1 3.82Å; L13-I133 HydrophobicContact CD2-CG2 3.93Å; L74-I133 HydrophobicContact CB-CG1 4.45Å; L74-I133 HydrophobicContact CD2-CD1 4.49Å; A78-I133 HydrophobicContact CB-CB 4.35Å; A78-I133 HydrophobicContact CB-CG1 4.46Å; A78-I133 HydrophobicContact CB-CG2 4.08Å; A78-I133 WeakPolarHBondContact CB-O 3.48Å; L95-I133 HydrophobicContact CD1-CG2 4.45Å; Y97-I133 HydrophobicContact CD1-CD1 4.12Å; Y97-I133 HydrophobicContact CD2-CD1 3.59Å; Y97-I133 HydrophobicContact CE1-CB 4.46Å; Y97-I133 HydrophobicContact CE1-CD1 3.84Å; Y97-I133 HydrophobicContact CE1-CG2 3.8Å; Y97-I133 HydrophobicContact CE2-CD1 3.29Å; Y97-I133 HydrophobicContact CG-CD1 4Å; Y97-I133 VanDerWaalsContact CZ-CD1 3.42Å; L102-I133 HydrophobicContact CD1-CD1 4.07Å; V129-I133 HydrophobicContact CG1-CD1 3.75Å; V129-I133 PolarHBondContact O-N 3.18Å; V130-I133 PolarHBondContact O-N 3.19Å; I133-E135 VanDerWaalsContact C-N 3.27Å; I133-E135 PolarHBondContact O-N 3.46Å; I133-G136 PolarHBondContact O-N 3.17Å; I133-G136 VanDerWaalsContact O-N 3.16Å; I133-L137 HydrophobicContact CG2-CD1 3.8Å; I133-L137 HydrophobicContact CG2-CG 4.07Å; I133-L137 WeakPolarHBondContact O-CB 3.4Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.5Å; I133-L137 PolarHBondContact O-N 2.81Å
134N98.9Very high98.7Very high6 Ų639.8 Ų39.83%0.03218%0.18CC..Hα-helixtrans-56.4-40.8176.1-75.1-2.5000112.5V130 R138 Y172 D175V130-N134 WeakPolarHBondContact O-CB 3.39Å; V130-N134 VanDerWaalsContact O-CG 3.23Å; V130-N134 PolarHBondContact O-N 3.42Å; V130-N134 PolarHBondContact O-OD1 3.11Å; N134-R138 VanDerWaalsContact O-CB 3.27Å; N134-R138 WeakPolarHBondContact O-CB 3.25Å; N134-R138 PolarHBondContact O-N 3.1Å; N134-Y172 WeakPolarHBondContact ND2-CD1 3.2Å; N134-D175 VanDerWaalsContact CG-O 3.26Å; N134-D175 PolarHBondContact ND2-O 3.01Å; N134-D175 PolarHBondContact ND2-OD2 2.88Å; N134-D175 PolarHBondContact OD1-O 2.97Å
135E98.8Very high98.7Very high64 Ų6442.3 Ų42.330%0.29921%0.207SC..Hα-helixtrans-61.9-49.5175.8-173.660.9-141.900111.9E75 Q131 C132 I133 L137 R138 K139E75-E135 HydrophobicContact CG-CB 4.24Å; E75-E135 HydrophobicContact CG-CG 4.21Å; E75-E135 WeakPolarHBondContact OE2-CG 3.38Å; Q131-E135 PolarHBondContact O-N 3.19Å; C132-E135 PolarHBondContact O-N 3.3Å; I133-E135 VanDerWaalsContact C-N 3.27Å; I133-E135 PolarHBondContact O-N 3.46Å; E135-L137 PolarHBondContact O-N 2.85Å; E135-R138 PolarHBondContact O-N 3.49Å; E135-R138 IonicContact OE1-NH1 2.8Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NH1 3.29Å; E135-R138 PolarHBondContact OE2-NH1 3.03Å; E135-K139 WeakPolarHBondContact O-CG 3.13Å; E135-K139 PolarHBondContact O-N 3.18Å; E135-K139 WeakPolarHBondContact OE1-CE 3.48Å; E135-K139 IonicContact OE1-NZ 3.56Å
136G98.9Very high98.6Very high0 Ų042.1 Ų42.10%020%0.202CC..Hα-helixtrans-60.8-44.5178.700000112.2E75 C132 I133 R138 K139 G140E75-G136 WeakPolarHBondContact O-CA 3.48Å; C132-G136 PolarHBondContact O-N 3.45Å; C132-G136 VanDerWaalsContact O-N 3.07Å; I133-G136 PolarHBondContact O-N 3.17Å; I133-G136 VanDerWaalsContact O-N 3.16Å; G136-R138 PolarHBondContact O-N 3.31Å; G136-K139 PolarHBondContact O-N 2.88Å; G136-G140 PolarHBondContact O-N 2.85Å
137L98.9Very high98.6Very high3 Ų344.1 Ų44.12%0.01621%0.211CC..Hα-helixtrans-63.8-38.1175.2-63.9179.7000112.2A78 Y81 L95 I133 E135 Q141 V148A78-L137 HydrophobicContact CB-CD2 4.06Å; A78-L137 HydrophobicContact CB-CG 4.11Å; A78-L137 WeakPolarHBondContact O-CD2 3.33Å; Y81-L137 HydrophobicContact CD1-CD2 4.23Å; L95-L137 HydrophobicContact CD1-CD1 4.45Å; L95-L137 HydrophobicContact CD2-CD1 3.76Å; L95-L137 HydrophobicContact CD2-CD2 3.45Å; L95-L137 VanDerWaalsContact CD2-CD2 3.45Å; L95-L137 HydrophobicContact CD2-CG 4.23Å; L95-L137 HydrophobicContact CG-CD1 4.49Å; I133-L137 HydrophobicContact CG2-CD1 3.8Å; I133-L137 HydrophobicContact CG2-CG 4.07Å; I133-L137 WeakPolarHBondContact O-CB 3.4Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.5Å; I133-L137 PolarHBondContact O-N 2.81Å; E135-L137 PolarHBondContact O-N 2.85Å; L137-Q141 VanDerWaalsContact O-CB 3.28Å; L137-Q141 WeakPolarHBondContact O-CB 3.45Å; L137-Q141 WeakPolarHBondContact O-CG 3.37Å; L137-Q141 PolarHBondContact O-N 3.23Å; L137-Q141 PolarHBondContact O-NE2 2.87Å; L137-V148 HydrophobicContact CD1-CG1 4.35Å; L137-V148 HydrophobicContact CD2-CG1 3.87Å
138R98.7Very high98.6Very high101 Ų10142.2 Ų42.238%0.38120%0.203SC..Hα-helixtrans-66.4-43.5178.7-164.7-179-48.3102.82.2111.2N134 E135 G136 R142 D175N134-R138 VanDerWaalsContact O-CB 3.27Å; N134-R138 WeakPolarHBondContact O-CB 3.25Å; N134-R138 PolarHBondContact O-N 3.1Å; E135-R138 PolarHBondContact O-N 3.49Å; E135-R138 IonicContact OE1-NH1 2.8Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NH1 3.29Å; E135-R138 PolarHBondContact OE2-NH1 3.03Å; G136-R138 PolarHBondContact O-N 3.31Å; R138-R142 WeakPolarHBondContact O-CB 3.39Å; R138-R142 PolarHBondContact O-N 3.33Å; R138-D175 IonicContact CZ-OD1 3.41Å; R138-D175 IonicContact NE-OD1 3.13Å; R138-D175 IonicContact NH2-OD1 2.79Å; R138-D175 PolarHBondContact NH2-OD1 3.18Å; R138-D175 IonicContact NH2-OD2 2.89Å
139K98.8Very high98.6Very high61 Ų6140.3 Ų40.327%0.26519%0.193SC..Hα-helixtrans-61.5-50.4174.4-69.4177.9-174.2177.20110.8E75 Y79 E135 G136 R142 D143E75-K139 IonicContact OE1-NZ 2.85Å; E75-K139 PolarHBondContact OE1-NZ 2.95Å; E75-K139 IonicContact OE2-NZ 3.58Å; Y79-K139 HydrophobicContact CD2-CB 3.75Å; Y79-K139 HydrophobicContact CE2-CB 4.11Å; E135-K139 WeakPolarHBondContact O-CG 3.13Å; E135-K139 PolarHBondContact O-N 3.18Å; E135-K139 WeakPolarHBondContact OE1-CE 3.48Å; E135-K139 IonicContact OE1-NZ 3.56Å; G136-K139 PolarHBondContact O-N 2.88Å; K139-R142 PolarHBondContact O-N 2.87Å; K139-D143 PolarHBondContact O-N 3.06Å
140G98.9Very high98.6Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-62.2-46.2-17900000113.2G136 R142 D143 F144G136-G140 PolarHBondContact O-N 2.85Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.5Å; G140-D143 PolarHBondContact O-N 2.72Å; G140-F144 WeakPolarHBondContact O-CD2 3.28Å; G140-F144 PolarHBondContact O-N 2.87Å
141Q98.6Very high98.6Very high39 Ų3940.3 Ų40.318%0.18219%0.193CC..Hα-helixtrans-58-43176.2-75.2174.896.700112.5L137 G145 I146 V148L137-Q141 VanDerWaalsContact O-CB 3.28Å; L137-Q141 WeakPolarHBondContact O-CB 3.45Å; L137-Q141 WeakPolarHBondContact O-CG 3.37Å; L137-Q141 PolarHBondContact O-N 3.23Å; L137-Q141 PolarHBondContact O-NE2 2.87Å; Q141-G145 WeakPolarHBondContact O-CA 3.41Å; Q141-G145 PolarHBondContact O-N 2.85Å; Q141-I146 WeakPolarHBondContact CB-O 3.5Å; Q141-I146 WeakPolarHBondContact CG-O 3.24Å; Q141-V148 VanDerWaalsContact CD-N 3.35Å; Q141-V148 HydrophobicContact CG-CB 3.94Å; Q141-V148 HydrophobicContact CG-CG2 4.1Å; Q141-V148 PolarHBondContact NE2-O 3.4Å; Q141-V148 PolarHBondContact OE1-O 3.36Å
142R98.5Very high98.6Very high163 Ų16336.8 Ų36.862%0.61518%0.176SC*.Hα-helixtrans-62.8-46.7177.5-179.4-167.264.9-130.5-10.2111.4R138 K139 G140R138-R142 WeakPolarHBondContact O-CB 3.39Å; R138-R142 PolarHBondContact O-N 3.33Å; K139-R142 PolarHBondContact O-N 2.87Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.5Å
143D98.8Very high98.6Very high80 Ų8036.5 Ų36.543%0.42818%0.175SC..Hα-helixtrans-77.5-27.2-170.4-62-15000112.2Y79 K139 G140Y79-D143 HydrophobicContact CE2-CB 4.46Å; Y79-D143 WeakPolarHBondContact CE2-OD2 3.44Å; K139-D143 PolarHBondContact O-N 3.06Å; G140-D143 PolarHBondContact O-N 2.72Å
144F98.3Very high98.6Very high77 Ų7736.6 Ų36.634%0.33818%0.175SC..Hα-helixtrans-109.7-5.3-178.1-60.9-72.4000115.2Y79 C82 V83 A86 G140 I146Y79-F144 HydrophobicContact CE1-CE2 4.16Å; Y79-F144 HydrophobicContact CE2-CE2 4.17Å; Y79-F144 AromaticContact CZ-CE2 3.72Å; C82-F144 HydrophobicContact CB-CD2 4.23Å; V83-F144 HydrophobicContact CB-CE2 4.18Å; V83-F144 HydrophobicContact CB-CZ 4.13Å; V83-F144 HydrophobicContact CG1-CE1 4.34Å; V83-F144 HydrophobicContact CG1-CZ 4.17Å; V83-F144 HydrophobicContact CG2-CD2 4.3Å; V83-F144 HydrophobicContact CG2-CE1 4.37Å; V83-F144 HydrophobicContact CG2-CE2 3.4Å; V83-F144 VanDerWaalsContact CG2-CE2 3.4Å; V83-F144 HydrophobicContact CG2-CZ 3.47Å; V83-F144 VanDerWaalsContact CG2-CZ 3.47Å; A86-F144 HydrophobicContact CB-CB 3.8Å; A86-F144 HydrophobicContact CB-CD1 4.13Å; A86-F144 HydrophobicContact CB-CG 4.1Å; G140-F144 WeakPolarHBondContact O-CD2 3.28Å; G140-F144 PolarHBondContact O-N 2.87Å; F144-I146 VanDerWaalsContact C-N 3.27Å; F144-I146 HydrophobicContact CB-CG1 4.4Å; F144-I146 PolarHBondContact O-N 2.85Å
145G97.1Very high98.4Very high59 Ų5937.3 Ų37.361%0.60818%0.179SC*.THydrogen-bonded Turntrans65.926.9176.200000114.5Q141Q141-G145 WeakPolarHBondContact O-CA 3.41Å; Q141-G145 PolarHBondContact O-N 2.85Å
146I97.6Very high98.1Very high21 Ų2135.3 Ų35.311%0.10817%0.173CC..  trans-105.8163.1174.563.9167.5000110.6C82 Q85 A86 V90 Q141 F144 V148C82-I146 HydrophobicContact CB-CD1 3.92Å; C82-I146 VanDerWaalsContact O-CD1 3.31Å; C82-I146 WeakPolarHBondContact O-CD1 3.39Å; Q85-I146 HydrophobicContact CB-CD1 3.73Å; A86-I146 HydrophobicContact CB-CG2 4.19Å; V90-I146 WeakPolarHBondContact O-CG2 3.5Å; Q141-I146 WeakPolarHBondContact CB-O 3.5Å; Q141-I146 WeakPolarHBondContact CG-O 3.24Å; F144-I146 VanDerWaalsContact C-N 3.27Å; F144-I146 HydrophobicContact CB-CG1 4.4Å; F144-I146 PolarHBondContact O-N 2.85Å; I146-V148 HydrophobicContact CD1-CG2 3.67Å; I146-V148 HydrophobicContact CG1-CG2 4.08Å
147Q98.2Very high97.8Very high44 Ų4439 Ų3921%0.20621%0.211CC..EExtended strand (participates in β ladder)trans-109.7125.7175-173.5174.40.700110I91 Y92 S93 L332 E336I91-Q147 PolarHBondContact O-N 3.12Å; I91-Q147 VanDerWaalsContact O-N 3.13Å; Y92-Q147 CarbonylContact C-O 3.5Å; Y92-Q147 VanDerWaalsContact CA-O 3.22Å; Y92-Q147 WeakPolarHBondContact CA-O 3.38Å; Y92-Q147 HydrophobicContact CD2-CB 3.94Å; Y92-Q147 HydrophobicContact CD2-CG 3.73Å; Y92-Q147 HydrophobicContact CE2-CG 4.07Å; S93-Q147 PolarHBondContact N-O 3.09Å; Q147-L332 VanDerWaalsContact NE2-CD2 3.32Å; Q147-E336 PolarHBondContact NE2-OE1 2.91Å
148V98.7Very high97.5Very high1 Ų141.6 Ų41.61%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-131.4135.6180-174.50000109.6Y81 S93 L95 L137 Q141 I146Y81-V148 HydrophobicContact CD1-CG1 4.25Å; Y81-V148 HydrophobicContact CE1-CG1 3.8Å; Y81-V148 HydrophobicContact CE1-CG2 4.42Å; S93-V148 CarbonylContact O-C 3.57Å; S93-V148 WeakPolarHBondContact O-CA 3.44Å; L95-V148 HydrophobicContact CD2-CG1 3.34Å; L95-V148 HydrophobicContact CG-CG1 4.45Å; L137-V148 HydrophobicContact CD1-CG1 4.35Å; L137-V148 HydrophobicContact CD2-CG1 3.87Å; Q141-V148 VanDerWaalsContact CD-N 3.35Å; Q141-V148 HydrophobicContact CG-CB 3.94Å; Q141-V148 HydrophobicContact CG-CG2 4.1Å; Q141-V148 PolarHBondContact NE2-O 3.4Å; Q141-V148 PolarHBondContact OE1-O 3.36Å; I146-V148 HydrophobicContact CD1-CG2 3.67Å; I146-V148 HydrophobicContact CG1-CG2 4.08Å
149R98.8Very high97.2Very high47 Ų4738 Ų3818%0.17721%0.211CC..EExtended strand (participates in β ladder)trans-127.5166175-63.3-65.4178.6-90.20.3109.1Y92 S93 E94 L95 G176 V178 L332 E336Y92-R149 HydrophobicContact CE2-CG 3.91Å; S93-R149 PolarHBondContact O-N 2.99Å; E94-R149 WeakPolarHBondContact CA-O 3.49Å; E94-R149 HydrophobicContact CG-CB 4.27Å; L95-R149 PolarHBondContact N-O 3.19Å; R149-G176 WeakPolarHBondContact CA-O 3.37Å; R149-G176 WeakPolarHBondContact CD-O 3.5Å; R149-V178 HydrophobicContact CB-CB 4.38Å; R149-V178 HydrophobicContact CB-CG1 3.67Å; R149-V178 HydrophobicContact CB-CG2 3.79Å; R149-V178 HydrophobicContact CG-CG1 3.67Å; R149-L332 HydrophobicContact CG-CD2 4.35Å; R149-E336 IonicContact NH2-OE1 2.79Å; R149-E336 PolarHBondContact NH2-OE1 3.44Å
150S98.9Very high96.9Very high0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-124.6150.1-17957.20000113.5L95 G176 V177 V178L95-S150 CarbonylContact O-C 3.35Å; L95-S150 WeakPolarHBondContact O-CA 3.41Å; S150-G176 PolarHBondContact N-O 3.48Å; S150-G176 PolarHBondContact OG-O 2.77Å; S150-V177 CarbonylContact O-C 3.5Å; S150-V177 VanDerWaalsContact O-CA 3.28Å; S150-V177 WeakPolarHBondContact O-CA 3.16Å; S150-V177 WeakPolarHBondContact OG-CG2 3.48Å; S150-V178 PolarHBondContact O-N 3.41Å
151L98.9Very high96.8Very high0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-114.9142.6168.5-62.1165000108.6E94 L95 R96 Y97 V178 G179 T208 F331E94-L151 HydrophobicContact CB-CD1 4.35Å; L95-L151 PolarHBondContact O-N 2.97Å; R96-L151 WeakPolarHBondContact CA-O 3.25Å; R96-L151 HydrophobicContact CB-CB 3.86Å; R96-L151 HydrophobicContact CB-CD1 4.41Å; Y97-L151 PolarHBondContact N-O 3.13Å; L151-V178 HydrophobicContact CD2-CG2 3.98Å; L151-G179 WeakPolarHBondContact CA-O 3.42Å; L151-G179 VanDerWaalsContact CD2-C 3.5Å; L151-G179 VanDerWaalsContact CD2-CA 3.46Å; L151-T208 HydrophobicContact CD1-CG2 3.85Å; L151-F331 HydrophobicContact CD2-CD2 3.91Å; L151-F331 HydrophobicContact CD2-CE2 4.12Å
152L98.9Very high96.7Very high0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-103.7126.8174.9-52.3-177.6000109.9Y97 P99 V130 V165 L168 V177 G179 D181Y97-L152 HydrophobicContact CE1-CD2 3.9Å; Y97-L152 HydrophobicContact CE2-CD2 3.8Å; Y97-L152 VanDerWaalsContact CZ-CD2 3.44Å; Y97-L152 WeakPolarHBondContact OH-CD2 3.47Å; P99-L152 HydrophobicContact CG-CD2 4.48Å; V130-L152 HydrophobicContact CG2-CD1 4.06Å; V130-L152 HydrophobicContact CG2-CD2 4.03Å; L152-V165 HydrophobicContact CB-CG1 3.77Å; L152-L168 HydrophobicContact CD1-CB 3.49Å; L152-L168 VanDerWaalsContact CD1-CB 3.49Å; L152-V177 HydrophobicContact CD1-CG1 4.18Å; L152-V177 HydrophobicContact CD1-CG2 4.34Å; L152-V177 HydrophobicContact CD2-CG2 4.32Å; L152-V177 HydrophobicContact CG-CG1 3.89Å; L152-V177 HydrophobicContact CG-CG2 4.3Å; L152-G179 PolarHBondContact N-O 3.09Å; L152-D181 PolarHBondContact O-N 2.93Å
153C98.7Very high96.7Very high1 Ų134.3 Ų34.31%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-91123.4-176-56.60000111.6Y97 S98 I155 D181 A183Y97-C153 PolarHBondContact O-N 3.4Å; S98-C153 PolarHBondContact OG-O 2.94Å; C153-I155 HydrophobicContact CB-CD1 3.96Å; C153-D181 WeakPolarHBondContact CA-O 3.39Å; C153-A183 HydrophobicContact CB-CB 4.22Å
154C98Very high96.7Very high1 Ų133.2 Ų33.21%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-66.4151.2148.9-65.60000109.4S162 D181 Q182 A183C154-S162 VanDerWaalsContact SG-CB 3.51Å; C154-S162 PolarHBondContact SG-OG 2.62Å; C154-D181 PolarHBondContact N-O 2.92Å; C154-Q182 HydrophobicContact CB-CB 4.36Å; C154-A183 PolarHBondContact O-N 3.43Å
155I95.8Very high96.7Very high22 Ų2229.6 Ų29.611%0.11318%0.183CC..EExtended strand (participates in β ladder)trans-124.3130.7-176.1-53.4-64.3000111S98 L101 C153 G157 Y158 W161 A183S98-I155 WeakPolarHBondContact OG-CG1 3.48Å; L101-I155 HydrophobicContact CD1-CD1 3.98Å; L101-I155 HydrophobicContact CD1-CG1 4.12Å; L101-I155 HydrophobicContact CG-CG1 4.37Å; C153-I155 HydrophobicContact CB-CD1 3.96Å; I155-G157 PolarHBondContact O-N 3.19Å; I155-Y158 HydrophobicContact CB-CD2 4.17Å; I155-Y158 HydrophobicContact CG2-CD2 3.74Å; I155-Y158 HydrophobicContact CG2-CE2 4.32Å; I155-Y158 PolarHBondContact O-N 3.43Å; I155-W161 HydrophobicContact CB-CZ3 4.47Å; I155-W161 HydrophobicContact CG1-CZ3 4.4Å; I155-A183 HydrophobicContact CD1-CB 4.23Å
156A92.4Very high96.8Very high22 Ų2227.1 Ų27.118%0.18216%0.156CC..THydrogen-bonded Turntrans-40.7122.9167.700000112.3Y158 A183 N186A156-Y158 VanDerWaalsContact C-N 3.29Å; A156-Y158 WeakPolarHBondContact O-CD2 3.4Å; A156-Y158 PolarHBondContact O-N 2.84Å; A156-A183 PolarHBondContact N-O 3.34Å; A156-N186 VanDerWaalsContact CA-OD1 3.3Å; A156-N186 WeakPolarHBondContact CA-OD1 3.32Å; A156-N186 WeakPolarHBondContact CB-OD1 3.5Å
157G91.4Very high96.8Very high76 Ų7630.9 Ų30.978%0.78417%0.169SC*.THydrogen-bonded Turntrans81.4-1.7178.600000115.7I155I155-G157 PolarHBondContact O-N 3.19Å
158Y94.1Very high96.9Very high58 Ų5828.8 Ų28.823%0.22716%0.159CC..  trans-125.244.8176.3-58.3-87000111.6N108 P110 I155 A156 D160 W161N108-Y158 WeakPolarHBondContact O-CE1 3.39Å; P110-Y158 HydrophobicContact CG-CE2 4.39Å; P110-Y158 WeakPolarHBondContact CG-OH 3.37Å; I155-Y158 HydrophobicContact CB-CD2 4.17Å; I155-Y158 HydrophobicContact CG2-CD2 3.74Å; I155-Y158 HydrophobicContact CG2-CE2 4.32Å; I155-Y158 PolarHBondContact O-N 3.43Å; A156-Y158 VanDerWaalsContact C-N 3.29Å; A156-Y158 WeakPolarHBondContact O-CD2 3.4Å; A156-Y158 PolarHBondContact O-N 2.84Å; Y158-D160 VanDerWaalsContact C-OD1 3.31Å; Y158-D160 PolarHBondContact O-N 3.46Å; Y158-W161 HydrophobicContact CD1-CD2 4.35Å; Y158-W161 AromaticContact CD1-CE2 3.71Å; Y158-W161 HydrophobicContact CD1-CE3 4.48Å; Y158-W161 AromaticContact CD1-CH2 3.4Å; Y158-W161 HydrophobicContact CD1-CH2 3.4Å; Y158-W161 AromaticContact CD1-CZ2 3.19Å; Y158-W161 HydrophobicContact CD1-CZ2 3.19Å; Y158-W161 HydrophobicContact CD1-CZ3 4.06Å; Y158-W161 HydrophobicContact CD2-CH2 4.05Å; Y158-W161 HydrophobicContact CD2-CZ3 4.07Å; Y158-W161 AromaticContact CE1-CH2 3.78Å; Y158-W161 HydrophobicContact CE1-CH2 3.78Å; Y158-W161 AromaticContact CE1-CZ2 3.74Å; Y158-W161 HydrophobicContact CE1-CZ2 3.74Å; Y158-W161 HydrophobicContact CE2-CH2 4.39Å; Y158-W161 HydrophobicContact CG-CD2 4.18Å; Y158-W161 HydrophobicContact CG-CE3 4.01Å; Y158-W161 AromaticContact CG-CH2 3.55Å; Y158-W161 HydrophobicContact CG-CH2 3.55Å; Y158-W161 AromaticContact CG-CZ2 3.71Å; Y158-W161 HydrophobicContact CG-CZ2 3.71Å; Y158-W161 AromaticContact CG-CZ3 3.71Å; Y158-W161 HydrophobicContact CG-CZ3 3.71Å; Y158-W161 WeakPolarHBondContact O-CB 3.33Å; Y158-W161 PolarHBondContact O-N 3.48Å
159S91.1Very high96.9Very high25 Ų2528.8 Ų28.818%0.17516%0.159CC..THydrogen-bonded Turntrans-66-11.4-173.964.30000113.7W161 S162 D190 R192S159-W161 VanDerWaalsContact C-N 3.27Å; S159-W161 PolarHBondContact O-N 3.38Å; S159-S162 PolarHBondContact O-N 3.26Å; S159-S162 PolarHBondContact O-OG 3.07Å; S159-D190 PolarHBondContact OG-OD2 3.02Å; S159-R192 WeakPolarHBondContact O-CD 3.49Å
160D92.8Very high96.9Very high89 Ų8929.6 Ų29.648%0.47617%0.167SC..THydrogen-bonded Turntrans-64.8-26.6167.661.5-49.1000113.9Y158 R192Y158-D160 VanDerWaalsContact C-OD1 3.31Å; Y158-D160 PolarHBondContact O-N 3.46Å; D160-R192 VanDerWaalsContact CA-NH1 3.29Å
161W96.8Very high96.9Very high11 Ų1134.9 Ų34.94%0.04219%0.19CC..SBendtrans-76-25.7177.7-58.7-6.4000113H100 L101 I106 N108 I155 Y158 S159 N163 E164 V165H100-W161 HydrophobicContact CB-CD2 3.62Å; H100-W161 HydrophobicContact CB-CE3 3.28Å; H100-W161 HydrophobicContact CB-CG 4.19Å; H100-W161 HydrophobicContact CB-CH2 4.37Å; H100-W161 HydrophobicContact CB-CZ3 3.7Å; H100-W161 AromaticContact CD2-CD1 4Å; H100-W161 AromaticContact CD2-CD2 3.87Å; H100-W161 AromaticContact CD2-CG 3.52Å; H100-W161 AromaticContact CG-CD2 3.8Å; H100-W161 AromaticContact CG-CE3 3.82Å; H100-W161 AromaticContact CG-CG 3.82Å; L101-W161 HydrophobicContact CD2-CH2 3.95Å; L101-W161 HydrophobicContact CD2-CZ3 3.73Å; L101-W161 HydrophobicContact CG-CZ3 4.24Å; I106-W161 HydrophobicContact CG2-CH2 4.15Å; I106-W161 HydrophobicContact CG2-CZ2 3.38Å; N108-W161 WeakPolarHBondContact OD1-CZ2 3.24Å; N108-W161 PolarHBondContact OD1-NE1 2.88Å; I155-W161 HydrophobicContact CB-CZ3 4.47Å; I155-W161 HydrophobicContact CG1-CZ3 4.4Å; Y158-W161 HydrophobicContact CD1-CD2 4.35Å; Y158-W161 AromaticContact CD1-CE2 3.71Å; Y158-W161 HydrophobicContact CD1-CE3 4.48Å; Y158-W161 AromaticContact CD1-CH2 3.4Å; Y158-W161 HydrophobicContact CD1-CH2 3.4Å; Y158-W161 AromaticContact CD1-CZ2 3.19Å; Y158-W161 HydrophobicContact CD1-CZ2 3.19Å; Y158-W161 HydrophobicContact CD1-CZ3 4.06Å; Y158-W161 HydrophobicContact CD2-CH2 4.05Å; Y158-W161 HydrophobicContact CD2-CZ3 4.07Å; Y158-W161 AromaticContact CE1-CH2 3.78Å; Y158-W161 HydrophobicContact CE1-CH2 3.78Å; Y158-W161 AromaticContact CE1-CZ2 3.74Å; Y158-W161 HydrophobicContact CE1-CZ2 3.74Å; Y158-W161 HydrophobicContact CE2-CH2 4.39Å; Y158-W161 HydrophobicContact CG-CD2 4.18Å; Y158-W161 HydrophobicContact CG-CE3 4.01Å; Y158-W161 AromaticContact CG-CH2 3.55Å; Y158-W161 HydrophobicContact CG-CH2 3.55Å; Y158-W161 AromaticContact CG-CZ2 3.71Å; Y158-W161 HydrophobicContact CG-CZ2 3.71Å; Y158-W161 AromaticContact CG-CZ3 3.71Å; Y158-W161 HydrophobicContact CG-CZ3 3.71Å; Y158-W161 WeakPolarHBondContact O-CB 3.33Å; Y158-W161 PolarHBondContact O-N 3.48Å; S159-W161 VanDerWaalsContact C-N 3.27Å; S159-W161 PolarHBondContact O-N 3.38Å; W161-N163 VanDerWaalsContact C-N 3.28Å; W161-N163 PolarHBondContact O-N 3.16Å; W161-N163 VanDerWaalsContact O-N 3.15Å; W161-E164 PolarHBondContact O-N 3.35Å; W161-V165 PolarHBondContact O-N 2.88Å; W161-V165 VanDerWaalsContact O-N 3.08Å
162S97.1Very high96.8Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-60.2-30.8-168.6-53.70000114.5C154 S159 E164 V165 L166C154-S162 VanDerWaalsContact SG-CB 3.51Å; C154-S162 PolarHBondContact SG-OG 2.62Å; S159-S162 PolarHBondContact O-N 3.26Å; S159-S162 PolarHBondContact O-OG 3.07Å; S162-E164 VanDerWaalsContact C-N 3.34Å; S162-V165 PolarHBondContact O-N 3.28Å; S162-L166 PolarHBondContact O-N 3.34Å
163N97.8Very high96.8Very high86 Ų8640 Ų4046%0.4621%0.21SC..Hα-helixtrans-63.8-41174.5-72-76.8000111.8W161 R167 I196W161-N163 VanDerWaalsContact C-N 3.28Å; W161-N163 PolarHBondContact O-N 3.16Å; W161-N163 VanDerWaalsContact O-N 3.15Å; N163-R167 PolarHBondContact O-N 3.46Å; N163-R167 VanDerWaalsContact O-N 3.07Å; N163-I196 HydrophobicContact CB-CD1 4.4Å
164E98.4Very high96.6Very high58 Ų5848.1 Ų48.127%0.27125%0.245SC..Hα-helixtrans-72.9-37.7177.6-175173.6-154.400111.1H100 W161 S162 L166 R167 L168H100-E164 IonicContact CD2-OE2 3.43Å; H100-E164 IonicContact CE1-OE2 3.26Å; H100-E164 IonicContact NE2-OE2 3.09Å; H100-E164 PolarHBondContact NE2-OE2 3.46Å; W161-E164 PolarHBondContact O-N 3.35Å; S162-E164 VanDerWaalsContact C-N 3.34Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.75Å; E164-R167 WeakPolarHBondContact O-CB 3.33Å; E164-R167 PolarHBondContact O-N 2.7Å; E164-R167 IonicContact OE1-NH2 3.55Å; E164-L168 HydrophobicContact CG-CD1 4.08Å; E164-L168 HydrophobicContact CG-CG 4.26Å; E164-L168 WeakPolarHBondContact O-CB 3.26Å; E164-L168 VanDerWaalsContact O-CG 3.26Å; E164-L168 WeakPolarHBondContact O-CG 3.33Å; E164-L168 PolarHBondContact O-N 3.28Å
165V98.7Very high96.6Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-54.9-50.9172.1176.40000110.3L152 W161 S162 R167 L168 C169 I180L152-V165 HydrophobicContact CB-CG1 3.77Å; W161-V165 PolarHBondContact O-N 2.88Å; W161-V165 VanDerWaalsContact O-N 3.08Å; S162-V165 PolarHBondContact O-N 3.28Å; V165-R167 PolarHBondContact O-N 2.82Å; V165-L168 PolarHBondContact O-N 2.71Å; V165-L168 VanDerWaalsContact O-N 3.14Å; V165-C169 PolarHBondContact O-N 2.87Å; V165-C169 PolarHBondContact O-SG 3.06Å; V165-C169 VanDerWaalsContact O-SG 3.37Å; V165-I180 HydrophobicContact CG1-CD1 4.01Å; V165-I180 HydrophobicContact CG1-CG1 3.99Å
166L98.7Very high96.7Very high7 Ų750.6 Ų50.64%0.03726%0.263CS..Hα-helixtrans-59.1-44.6177.9-179.262.4000112.5S162 E164 L168 C169 D170 I180 I196 Q199 A200 M203 I205S162-L166 PolarHBondContact O-N 3.34Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.75Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 2.78Å; L166-C169 WeakPolarHBondContact O-CB 3.47Å; L166-C169 PolarHBondContact O-N 3.38Å; L166-D170 PolarHBondContact O-N 3.47Å; L166-D170 VanDerWaalsContact O-N 3.09Å; L166-I180 HydrophobicContact CB-CD1 4.47Å; L166-I180 HydrophobicContact CD1-CD1 4.45Å; L166-I196 HydrophobicContact CB-CG2 4.24Å; L166-I196 HydrophobicContact CD2-CD1 4.22Å; L166-I196 HydrophobicContact CD2-CG2 4.42Å; L166-Q199 HydrophobicContact CD2-CB 3.59Å; L166-A200 HydrophobicContact CD1-CB 3.7Å; L166-M203 HydrophobicContact CD1-SD 4.11Å; L166-M203 HydrophobicContact CD2-SD 4.08Å; L166-M203 HydrophobicContact CG-SD 4.11Å; L166-I205 HydrophobicContact CD1-CD1 3.64Å
167R98.8Very high97Very high100 Ų10049.6 Ų49.638%0.37726%0.255SS..Hα-helixtrans-59.1-42.2175.7-175.5-165.968.384.9-7.5111.7E127 N163 E164 V165 D170 K171E127-R167 IonicContact OE2-CZ 3.28Å; E127-R167 IonicContact OE2-NH1 2.69Å; E127-R167 PolarHBondContact OE2-NH1 3.37Å; E127-R167 IonicContact OE2-NH2 3.74Å; E127-R167 PolarHBondContact OE2-NH2 3.14Å; N163-R167 PolarHBondContact O-N 3.46Å; N163-R167 VanDerWaalsContact O-N 3.07Å; E164-R167 WeakPolarHBondContact O-CB 3.33Å; E164-R167 PolarHBondContact O-N 2.7Å; E164-R167 IonicContact OE1-NH2 3.55Å; V165-R167 PolarHBondContact O-N 2.82Å; R167-D170 PolarHBondContact O-N 3.45Å; R167-K171 WeakPolarHBondContact O-CB 3.46Å; R167-K171 PolarHBondContact O-N 2.85Å
168L98.9Very high97.3Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-68.6-39.8178.5-69.3172.7000111.2P99 P126 E127 V130 L152 E164 V165 L166 D170 K171 Y172P99-L168 HydrophobicContact CB-CD1 4.45Å; P99-L168 HydrophobicContact CG-CD1 4.02Å; P126-L168 HydrophobicContact CB-CD1 4.13Å; E127-L168 HydrophobicContact CB-CD2 3.78Å; E127-L168 HydrophobicContact CG-CD2 3.8Å; V130-L168 HydrophobicContact CG2-CD1 4.15Å; L152-L168 HydrophobicContact CD1-CB 3.49Å; L152-L168 VanDerWaalsContact CD1-CB 3.49Å; E164-L168 HydrophobicContact CG-CD1 4.08Å; E164-L168 HydrophobicContact CG-CG 4.26Å; E164-L168 WeakPolarHBondContact O-CB 3.26Å; E164-L168 VanDerWaalsContact O-CG 3.26Å; E164-L168 WeakPolarHBondContact O-CG 3.33Å; E164-L168 PolarHBondContact O-N 3.28Å; V165-L168 PolarHBondContact O-N 2.71Å; V165-L168 VanDerWaalsContact O-N 3.14Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 2.78Å; L168-D170 VanDerWaalsContact C-N 3.32Å; L168-D170 PolarHBondContact O-N 2.69Å; L168-K171 PolarHBondContact O-N 3.09Å; L168-Y172 HydrophobicContact CD2-CD2 4.17Å; L168-Y172 HydrophobicContact CD2-CE2 3.79Å; L168-Y172 WeakPolarHBondContact O-CB 3.45Å; L168-Y172 WeakPolarHBondContact O-CD2 3.37Å; L168-Y172 PolarHBondContact O-N 2.85Å
169C98.9Very high97.6Very high2 Ų244.4 Ų44.41%0.01421%0.214CC..Hα-helixtrans-56-47.1173.2-70.10000111.6V165 L166 R173 V177 G179 I205V165-C169 PolarHBondContact O-N 2.87Å; V165-C169 PolarHBondContact O-SG 3.06Å; V165-C169 VanDerWaalsContact O-SG 3.37Å; L166-C169 WeakPolarHBondContact O-CB 3.47Å; L166-C169 PolarHBondContact O-N 3.38Å; C169-R173 WeakPolarHBondContact O-CB 3.17Å; C169-R173 PolarHBondContact O-N 3.43Å; C169-R173 VanDerWaalsContact O-N 3.11Å; C169-V177 HydrophobicContact CB-CG1 4.35Å; C169-G179 PolarHBondContact SG-O 2.87Å; C169-I205 HydrophobicContact CB-CD1 4Å; C169-I205 HydrophobicContact CB-CG2 3.9Å
170D98.7Very high97.9Very high64 Ų6443.2 Ų43.234%0.34221%0.206SC..Hα-helixtrans-66.4-46.1177.9-167.647.7000112.4L166 R167 L168 Y172 R173 M203 I205L166-D170 PolarHBondContact O-N 3.47Å; L166-D170 VanDerWaalsContact O-N 3.09Å; R167-D170 PolarHBondContact O-N 3.45Å; L168-D170 VanDerWaalsContact C-N 3.32Å; L168-D170 PolarHBondContact O-N 2.69Å; D170-Y172 VanDerWaalsContact C-N 3.31Å; D170-Y172 PolarHBondContact O-N 3.42Å; D170-R173 WeakPolarHBondContact O-CD 3.42Å; D170-R173 WeakPolarHBondContact O-CG 3.3Å; D170-R173 PolarHBondContact O-N 3.38Å; D170-R173 IonicContact OD1-NH1 3.82Å; D170-R173 PolarHBondContact OD1-NH1 3.06Å; D170-M203 HydrophobicContact CB-CE 3.46Å; D170-M203 VanDerWaalsContact CB-CE 3.46Å; D170-M203 VanDerWaalsContact CG-CE 3.44Å; D170-I205 HydrophobicContact CB-CD1 3.96Å
171K98.8Very high98.2Very high110 Ų11039 Ų3948%0.47818%0.183SC..Hα-helixtrans-61.1-39.2-177.9-179.6169.4-179.4168.80112.7E127 R167 L168E127-K171 VanDerWaalsContact CD-NZ 3.28Å; E127-K171 WeakPolarHBondContact OE1-CE 3.48Å; E127-K171 IonicContact OE1-NZ 2.7Å; E127-K171 PolarHBondContact OE1-NZ 2.75Å; E127-K171 IonicContact OE2-NZ 3.71Å; E127-K171 PolarHBondContact OE2-NZ 2.9Å; R167-K171 WeakPolarHBondContact O-CB 3.46Å; R167-K171 PolarHBondContact O-N 2.85Å; L168-K171 PolarHBondContact O-N 3.09Å
172Y98.8Very high98.2Very high16 Ų1638.5 Ų38.56%0.06318%0.181CC..THydrogen-bonded Turntrans-102.812.6-175.4-68.2-84.3000113.5E127 V130 Q131 N134 L168 D170 F174 D175 V177E127-Y172 HydrophobicContact CG-CE2 3.92Å; E127-Y172 VanDerWaalsContact CG-OH 3.25Å; E127-Y172 WeakPolarHBondContact CG-OH 3.4Å; E127-Y172 PolarHBondContact OE1-OH 3.41Å; V130-Y172 HydrophobicContact CB-CD2 4.45Å; V130-Y172 HydrophobicContact CB-CE2 4.41Å; V130-Y172 HydrophobicContact CG1-CD1 3.98Å; V130-Y172 HydrophobicContact CG1-CD2 3.74Å; V130-Y172 HydrophobicContact CG1-CE1 4.3Å; V130-Y172 HydrophobicContact CG1-CE2 4.11Å; V130-Y172 HydrophobicContact CG1-CG 3.68Å; Q131-Y172 HydrophobicContact CG-CE1 4.02Å; Q131-Y172 WeakPolarHBondContact CG-OH 3.26Å; Q131-Y172 PolarHBondContact NE2-OH 3.46Å; N134-Y172 WeakPolarHBondContact ND2-CD1 3.2Å; L168-Y172 HydrophobicContact CD2-CD2 4.17Å; L168-Y172 HydrophobicContact CD2-CE2 3.79Å; L168-Y172 WeakPolarHBondContact O-CB 3.45Å; L168-Y172 WeakPolarHBondContact O-CD2 3.37Å; L168-Y172 PolarHBondContact O-N 2.85Å; D170-Y172 VanDerWaalsContact C-N 3.31Å; D170-Y172 PolarHBondContact O-N 3.42Å; Y172-F174 PolarHBondContact O-N 2.89Å; Y172-D175 HydrophobicContact CD1-CB 4.22Å; Y172-D175 CarbonylContact O-C 3.13Å; Y172-D175 VanDerWaalsContact O-C 3.26Å; Y172-D175 WeakPolarHBondContact O-CA 3.33Å; Y172-D175 PolarHBondContact O-N 3.48Å; Y172-V177 PolarHBondContact O-N 2.95Å
173R97.5Very high98.1Very high93 Ų9338.9 Ų38.935%0.35118%0.184SC..THydrogen-bonded Turntrans-58.6-22.7-178.673.5-174.2-71.1160.83.7115.2C169 D170 V177 M203 G204C169-R173 WeakPolarHBondContact O-CB 3.17Å; C169-R173 PolarHBondContact O-N 3.43Å; C169-R173 VanDerWaalsContact O-N 3.11Å; D170-R173 WeakPolarHBondContact O-CD 3.42Å; D170-R173 WeakPolarHBondContact O-CG 3.3Å; D170-R173 PolarHBondContact O-N 3.38Å; D170-R173 IonicContact OD1-NH1 3.82Å; D170-R173 PolarHBondContact OD1-NH1 3.06Å; R173-V177 VanDerWaalsContact CA-O 3.25Å; R173-V177 WeakPolarHBondContact CA-O 3.32Å; R173-M203 PolarHBondContact NH1-O 3.44Å; R173-G204 PolarHBondContact NH2-O 3.44Å
174F95.6Very high97.6Very high171 Ų17135.7 Ų35.775%0.7517%0.172SC*.THydrogen-bonded Turntrans-107.54.6177.2-56.6-61.2000113Y172Y172-F174 PolarHBondContact O-N 2.89Å
175D97.7Very high96.8Very high53 Ų5335.5 Ų35.528%0.28318%0.18SC..THydrogen-bonded Turntrans-127.458.8175.7-174.240000108.6N134 R138 Y172 V177N134-D175 VanDerWaalsContact CG-O 3.26Å; N134-D175 PolarHBondContact ND2-O 3.01Å; N134-D175 PolarHBondContact ND2-OD2 2.88Å; N134-D175 PolarHBondContact OD1-O 2.97Å; R138-D175 IonicContact CZ-OD1 3.41Å; R138-D175 IonicContact NE-OD1 3.13Å; R138-D175 IonicContact NH2-OD1 2.79Å; R138-D175 PolarHBondContact NH2-OD1 3.18Å; R138-D175 IonicContact NH2-OD2 2.89Å; Y172-D175 HydrophobicContact CD1-CB 4.22Å; Y172-D175 CarbonylContact O-C 3.13Å; Y172-D175 VanDerWaalsContact O-C 3.26Å; Y172-D175 WeakPolarHBondContact O-CA 3.33Å; Y172-D175 PolarHBondContact O-N 3.48Å; D175-V177 PolarHBondContact O-N 3.32Å
176G97.2Very high95.7Very high21 Ų2136.3 Ų36.322%0.21618%0.184CC..THydrogen-bonded Turntrans87.1-24.4168.400000117.2R149 S150R149-G176 WeakPolarHBondContact CA-O 3.37Å; R149-G176 WeakPolarHBondContact CD-O 3.5Å; S150-G176 PolarHBondContact N-O 3.48Å; S150-G176 PolarHBondContact OG-O 2.77Å
177V98.8Very high95Very high1 Ų140.8 Ų40.81%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-78.6123.3177.5-178.60000110.1V130 S150 L152 C169 Y172 R173 D175V130-V177 HydrophobicContact CG1-CG2 4.1Å; S150-V177 CarbonylContact O-C 3.5Å; S150-V177 VanDerWaalsContact O-CA 3.28Å; S150-V177 WeakPolarHBondContact O-CA 3.16Å; S150-V177 WeakPolarHBondContact OG-CG2 3.48Å; L152-V177 HydrophobicContact CD1-CG1 4.18Å; L152-V177 HydrophobicContact CD1-CG2 4.34Å; L152-V177 HydrophobicContact CD2-CG2 4.32Å; L152-V177 HydrophobicContact CG-CG1 3.89Å; L152-V177 HydrophobicContact CG-CG2 4.3Å; C169-V177 HydrophobicContact CB-CG1 4.35Å; Y172-V177 PolarHBondContact O-N 2.95Å; R173-V177 VanDerWaalsContact CA-O 3.25Å; R173-V177 WeakPolarHBondContact CA-O 3.32Å; D175-V177 PolarHBondContact O-N 3.32Å
178V98.7Very high94.6Very high25 Ų2543.3 Ų43.315%0.15223%0.225CC..EExtended strand (participates in β ladder)trans-111.3-12-175-680000114.4E94 R149 S150 L151 H206 F331E94-V178 HydrophobicContact CG-CG2 4.34Å; R149-V178 HydrophobicContact CB-CB 4.38Å; R149-V178 HydrophobicContact CB-CG1 3.67Å; R149-V178 HydrophobicContact CB-CG2 3.79Å; R149-V178 HydrophobicContact CG-CG1 3.67Å; S150-V178 PolarHBondContact O-N 3.41Å; L151-V178 HydrophobicContact CD2-CG2 3.98Å; V178-H206 WeakPolarHBondContact O-CB 3.25Å; V178-H206 PolarHBondContact O-CD2 3.43Å; V178-F331 HydrophobicContact CB-CB 3.92Å; V178-F331 WeakPolarHBondContact CG1-O 3.38Å; V178-F331 HydrophobicContact CG2-CB 3.9Å; V178-F331 HydrophobicContact CG2-CD2 4.46Å
179G98.7Very high94.2Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-176.5179.1-176.300000114.2L151 L152 C169 H206L151-G179 WeakPolarHBondContact CA-O 3.42Å; L151-G179 VanDerWaalsContact CD2-C 3.5Å; L151-G179 VanDerWaalsContact CD2-CA 3.46Å; L152-G179 PolarHBondContact N-O 3.09Å; C169-G179 PolarHBondContact SG-O 2.87Å; G179-H206 CarbonylContact C-O 3.5Å; G179-H206 WeakPolarHBondContact CA-O 3.43Å
180I98.9Very high93.9Very high0 Ų046.4 Ų46.40%024%0.242CC..EExtended strand (participates in β ladder)trans-110.3143.6176.5-166.8168.6000109.7V165 L166 I196 F197 A200 I205 H206 R207 T208V165-I180 HydrophobicContact CG1-CD1 4.01Å; V165-I180 HydrophobicContact CG1-CG1 3.99Å; L166-I180 HydrophobicContact CB-CD1 4.47Å; L166-I180 HydrophobicContact CD1-CD1 4.45Å; I180-I196 HydrophobicContact CD1-CG2 3.74Å; I180-F197 HydrophobicContact CG1-CZ 4.47Å; I180-F197 HydrophobicContact CG2-CD1 4.43Å; I180-F197 HydrophobicContact CG2-CE1 4.03Å; I180-F197 HydrophobicContact CG2-CZ 4.18Å; I180-A200 HydrophobicContact CG2-CB 3.95Å; I180-I205 HydrophobicContact CB-CG2 4.31Å; I180-I205 HydrophobicContact CG2-CG2 4.25Å; I180-H206 PolarHBondContact N-O 3.08Å; I180-R207 HydrophobicContact CG2-CG 3.94Å; I180-T208 PolarHBondContact O-N 2.91Å
181D98.7Very high93.7Very high0 Ų050.5 Ų50.50%026%0.259CS..EExtended strand (participates in β ladder)trans-122.6161.4170-171.118.7000110.2R96 L152 C153 C154 T208 I209 H210R96-D181 VanDerWaalsContact CD-OD2 3.31Å; R96-D181 WeakPolarHBondContact CD-OD2 3.41Å; R96-D181 IonicContact CZ-OD2 2.6Å; R96-D181 IonicContact NE-OD2 3.46Å; R96-D181 IonicContact NH1-OD1 3.6Å; R96-D181 IonicContact NH1-OD2 2.62Å; R96-D181 PolarHBondContact NH1-OD2 3.46Å; L152-D181 PolarHBondContact O-N 2.93Å; C153-D181 WeakPolarHBondContact CA-O 3.39Å; C154-D181 PolarHBondContact N-O 2.92Å; D181-T208 WeakPolarHBondContact CA-O 3.49Å; D181-T208 HydrophobicContact CB-CG2 3.77Å; D181-I209 WeakPolarHBondContact OD1-CA 3.27Å; D181-I209 PolarHBondContact OD1-N 3.31Å; D181-H210 IonicContact OD1-ND1 3.46Å; D181-H210 PolarHBondContact OD1-ND1 3.18Å; D181-H210 IonicContact OD2-CE1 3.89Å; D181-H210 PolarHBondContact OD2-CE1 3.16Å; D181-H210 IonicContact OD2-ND1 2.75Å; D181-H210 PolarHBondContact OD2-ND1 2.85Å
182Q97Very high93.5Very high2 Ų250.6 Ų50.61%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-126.5115.6166.9168.280.542.300107.9C154 N186 F189 E193 F197 I209 H210C154-Q182 HydrophobicContact CB-CB 4.36Å; Q182-N186 PolarHBondContact NE2-ND2 3.23Å; Q182-F189 HydrophobicContact CG-CD1 4.2Å; Q182-F189 HydrophobicContact CG-CE1 3.93Å; Q182-E193 VanDerWaalsContact CD-OE1 3.23Å; Q182-E193 PolarHBondContact NE2-OE1 3.01Å; Q182-E193 PolarHBondContact OE1-OE1 2.87Å; Q182-F197 HydrophobicContact CB-CE2 3.76Å; Q182-F197 HydrophobicContact CB-CZ 3.66Å; Q182-I209 HydrophobicContact CB-CD1 3.63Å; Q182-I209 HydrophobicContact CB-CG1 3.71Å; Q182-I209 HydrophobicContact CG-CD1 3.88Å; Q182-I209 HydrophobicContact CG-CG1 4.12Å; Q182-H210 WeakPolarHBondContact O-CB 3.38Å; Q182-H210 PolarHBondContact O-N 3.13Å; Q182-H210 PolarHBondContact O-ND1 3.46Å
183A94Very high93.3Very high7 Ų750 Ų506%0.05825%0.254CS..EExtended strand (participates in β ladder)trans-117.8170-174.900000111.7C153 C154 I155 A156C153-A183 HydrophobicContact CB-CB 4.22Å; C154-A183 PolarHBondContact O-N 3.43Å; I155-A183 HydrophobicContact CD1-CB 4.23Å; A156-A183 PolarHBondContact N-O 3.34Å
184G87.4Confident93.2Very high19 Ų1946.9 Ų46.920%0.19624%0.244CC..SBendtrans95.3-178.4-173.900000113.1N186G184-N186 VanDerWaalsContact C-N 3.28Å; G184-N186 PolarHBondContact O-N 2.98Å
185A81.6Confident93.3Very high54 Ų5441.1 Ų41.145%0.44622%0.222SC..  trans-83.153.8-166.500000114.6L53 L57 V187L53-A185 HydrophobicContact CD2-CB 4Å; L57-A185 HydrophobicContact CD1-CB 4.43Å; A185-V187 PolarHBondContact O-N 3.09Å
186N77.2Confident93.3Very high17 Ų1738.6 Ų38.69%0.09121%0.209CC..  trans-74.8112.1-179.7-80.322.1000112.3A156 Q182 G184 F189 E193 N219A156-N186 VanDerWaalsContact CA-OD1 3.3Å; A156-N186 WeakPolarHBondContact CA-OD1 3.32Å; A156-N186 WeakPolarHBondContact CB-OD1 3.5Å; Q182-N186 PolarHBondContact NE2-ND2 3.23Å; G184-N186 VanDerWaalsContact C-N 3.28Å; G184-N186 PolarHBondContact O-N 2.98Å; N186-F189 HydrophobicContact CB-CD1 4.16Å; N186-F189 HydrophobicContact CB-CE1 3.68Å; N186-F189 HydrophobicContact CB-CZ 4.39Å; N186-F189 VanDerWaalsContact ND2-CD1 3.29Å; N186-F189 WeakPolarHBondContact ND2-CD1 3.42Å; N186-F189 WeakPolarHBondContact ND2-CE1 3.39Å; N186-E193 VanDerWaalsContact ND2-CD 3.32Å; N186-E193 PolarHBondContact ND2-OE1 3.48Å; N186-E193 PolarHBondContact ND2-OE2 2.73Å; N186-N219 PolarHBondContact O-ND2 3.24Å; N186-N219 VanDerWaalsContact O-ND2 3.07Å
187V83.3Confident93.4Very high102 Ų10237.6 Ų37.662%0.61820%0.199SC*.SBendtrans-83.3-17.5167.1-64.90000112.5A185A185-V187 PolarHBondContact O-N 3.09Å
188K89.2Confident93.4Very high152 Ų15239.3 Ų39.366%0.66121%0.208SC*.SBendtrans-158.2144.9176.2-173.2176.6-178.6177.30109.5
189F91.5Very high93.4Very high4 Ų441.7 Ų41.72%0.01822%0.218CC..  trans-88.6134.7175.2-55.4-67.8000111.9Q182 N186 E193 I209 A211 N219 Q222 A223 L227Q182-F189 HydrophobicContact CG-CD1 4.2Å; Q182-F189 HydrophobicContact CG-CE1 3.93Å; N186-F189 HydrophobicContact CB-CD1 4.16Å; N186-F189 HydrophobicContact CB-CE1 3.68Å; N186-F189 HydrophobicContact CB-CZ 4.39Å; N186-F189 VanDerWaalsContact ND2-CD1 3.29Å; N186-F189 WeakPolarHBondContact ND2-CD1 3.42Å; N186-F189 WeakPolarHBondContact ND2-CE1 3.39Å; F189-E193 WeakPolarHBondContact CA-OE2 3.38Å; F189-E193 HydrophobicContact CB-CB 4.38Å; F189-I209 HydrophobicContact CD1-CD1 3.74Å; F189-I209 HydrophobicContact CD2-CD1 4.32Å; F189-I209 HydrophobicContact CE1-CD1 3.24Å; F189-I209 HydrophobicContact CE1-CG1 3.7Å; F189-I209 HydrophobicContact CE2-CD1 3.85Å; F189-I209 HydrophobicContact CE2-CG1 4.36Å; F189-I209 HydrophobicContact CG-CD1 4.28Å; F189-I209 HydrophobicContact CZ-CD1 3.31Å; F189-I209 HydrophobicContact CZ-CG1 3.54Å; F189-A211 HydrophobicContact CE2-CB 4.34Å; F189-A211 HydrophobicContact CZ-CB 4.21Å; F189-N219 HydrophobicContact CE2-CB 4.24Å; F189-N219 WeakPolarHBondContact CE2-O 3.45Å; F189-Q222 HydrophobicContact CD2-CB 4.23Å; F189-Q222 HydrophobicContact CD2-CG 4.31Å; F189-Q222 PolarHBondContact O-NE2 3.29Å; F189-A223 HydrophobicContact CE2-CB 4.03Å; F189-L227 HydrophobicContact CB-CD1 4.03Å; F189-L227 HydrophobicContact CB-CD2 4.29Å; F189-L227 HydrophobicContact CD1-CD2 4.31Å; F189-L227 HydrophobicContact CD2-CD1 4.06Å; F189-L227 HydrophobicContact CD2-CD2 4.27Å; F189-L227 HydrophobicContact CG-CD1 4.19Å; F189-L227 HydrophobicContact CG-CD2 4.01Å
190D92.3Very high93.4Very high64 Ų6441.7 Ų41.734%0.34222%0.218SC..  trans-82.2170.1179.882.225.6000112.5S159 R192 E193 I194S159-D190 PolarHBondContact OG-OD2 3.02Å; D190-R192 PolarHBondContact O-N 2.93Å; D190-R192 VanDerWaalsContact OD1-CA 3.3Å; D190-R192 WeakPolarHBondContact OD1-CA 3.26Å; D190-R192 VanDerWaalsContact OD1-CB 3.28Å; D190-R192 WeakPolarHBondContact OD1-CB 3.45Å; D190-R192 PolarHBondContact OD1-N 3.2Å; D190-E193 PolarHBondContact N-OE2 3.43Å; D190-E193 PolarHBondContact O-N 3.26Å; D190-E193 WeakPolarHBondContact OD1-CG 3.36Å; D190-E193 PolarHBondContact OD1-N 3.22Å; D190-I194 VanDerWaalsContact O-CG1 3.28Å; D190-I194 WeakPolarHBondContact O-CG1 3.31Å; D190-I194 PolarHBondContact O-N 3.21Å
191H94.2Very high93.4Very high150 Ų15045.5 Ų45.569%0.69424%0.235SC*.Hα-helixtrans-63.7-29.3-178-17557.8000113.2T195H191-T195 WeakPolarHBondContact O-CB 3.39Å; H191-T195 PolarHBondContact O-N 3Å; H191-T195 PolarHBondContact O-OG1 3.38Å
192R94.3Very high93.4Very high111 Ų11153.9 Ų53.942%0.41927%0.272SS..Hα-helixtrans-74.1-43.4178.7-175.2174.9-69.2-167.5-2.7110.5S159 D160 D190 T195 I196S159-R192 WeakPolarHBondContact O-CD 3.49Å; D160-R192 VanDerWaalsContact CA-NH1 3.29Å; D190-R192 PolarHBondContact O-N 2.93Å; D190-R192 VanDerWaalsContact OD1-CA 3.3Å; D190-R192 WeakPolarHBondContact OD1-CA 3.26Å; D190-R192 VanDerWaalsContact OD1-CB 3.28Å; D190-R192 WeakPolarHBondContact OD1-CB 3.45Å; D190-R192 PolarHBondContact OD1-N 3.2Å; R192-T195 WeakPolarHBondContact O-CB 3.31Å; R192-T195 PolarHBondContact O-N 3.15Å; R192-T195 VanDerWaalsContact O-N 3.15Å; R192-I196 HydrophobicContact CG-CG1 4.49Å; R192-I196 VanDerWaalsContact O-CG1 3.3Å; R192-I196 WeakPolarHBondContact O-CG1 3.44Å; R192-I196 PolarHBondContact O-N 2.79Å
193E95Very high93.4Very high5 Ų557 Ų572%0.02329%0.287CS..Hα-helixtrans-58.1-48.7173.7-66.5170.5148.500110.3Q182 N186 F189 D190 T195 I196 F197Q182-E193 VanDerWaalsContact CD-OE1 3.23Å; Q182-E193 PolarHBondContact NE2-OE1 3.01Å; Q182-E193 PolarHBondContact OE1-OE1 2.87Å; N186-E193 VanDerWaalsContact ND2-CD 3.32Å; N186-E193 PolarHBondContact ND2-OE1 3.48Å; N186-E193 PolarHBondContact ND2-OE2 2.73Å; F189-E193 WeakPolarHBondContact CA-OE2 3.38Å; F189-E193 HydrophobicContact CB-CB 4.38Å; D190-E193 PolarHBondContact N-OE2 3.43Å; D190-E193 PolarHBondContact O-N 3.26Å; D190-E193 WeakPolarHBondContact OD1-CG 3.36Å; D190-E193 PolarHBondContact OD1-N 3.22Å; E193-T195 VanDerWaalsContact C-N 3.3Å; E193-T195 PolarHBondContact O-N 3.32Å; E193-I196 PolarHBondContact O-N 3.13Å; E193-F197 WeakPolarHBondContact O-CD2 3.34Å; E193-F197 PolarHBondContact O-N 2.6Å
194I96.3Very high93.6Very high27 Ų2758.6 Ų58.614%0.13831%0.305CS..Hα-helixtrans-55.3-45.5173.3-67.2165.5000111.4D190 I196 F197 N198 D226 L227D190-I194 VanDerWaalsContact O-CG1 3.28Å; D190-I194 WeakPolarHBondContact O-CG1 3.31Å; D190-I194 PolarHBondContact O-N 3.21Å; I194-I196 PolarHBondContact O-N 2.72Å; I194-F197 PolarHBondContact O-N 2.78Å; I194-N198 VanDerWaalsContact CG2-ND2 3.29Å; I194-N198 WeakPolarHBondContact CG2-ND2 3.49Å; I194-N198 WeakPolarHBondContact O-CB 3.45Å; I194-N198 PolarHBondContact O-N 3.42Å; I194-N198 PolarHBondContact O-ND2 3.36Å; I194-D226 HydrophobicContact CD1-CB 4.25Å; I194-D226 HydrophobicContact CG1-CB 4.19Å; I194-D226 HydrophobicContact CG2-CB 4.35Å; I194-L227 HydrophobicContact CG1-CD1 3.63Å; I194-L227 HydrophobicContact CG1-CG 4.29Å
195T97.9Very high94.1Very high49 Ų4958 Ų5830%0.30130%0.297SS..Hα-helixtrans-63.4-43.4-179.5-63.20000111.7H191 R192 E193 N198 Q199H191-T195 WeakPolarHBondContact O-CB 3.39Å; H191-T195 PolarHBondContact O-N 3Å; H191-T195 PolarHBondContact O-OG1 3.38Å; R192-T195 WeakPolarHBondContact O-CB 3.31Å; R192-T195 PolarHBondContact O-N 3.15Å; R192-T195 VanDerWaalsContact O-N 3.15Å; E193-T195 VanDerWaalsContact C-N 3.3Å; E193-T195 PolarHBondContact O-N 3.32Å; T195-N198 PolarHBondContact O-N 3.12Å; T195-Q199 WeakPolarHBondContact O-CG 3.26Å; T195-Q199 PolarHBondContact O-N 3.28Å
196I98.1Very high95Very high1 Ų158.1 Ų58.11%0.00529%0.288CS..Hα-helixtrans-64.5-44.2-179.7-70.5-69.2000111.2N163 L166 I180 R192 E193 I194 Q199 A200N163-I196 HydrophobicContact CB-CD1 4.4Å; L166-I196 HydrophobicContact CB-CG2 4.24Å; L166-I196 HydrophobicContact CD2-CD1 4.22Å; L166-I196 HydrophobicContact CD2-CG2 4.42Å; I180-I196 HydrophobicContact CD1-CG2 3.74Å; R192-I196 HydrophobicContact CG-CG1 4.49Å; R192-I196 VanDerWaalsContact O-CG1 3.3Å; R192-I196 WeakPolarHBondContact O-CG1 3.44Å; R192-I196 PolarHBondContact O-N 2.79Å; E193-I196 PolarHBondContact O-N 3.13Å; I194-I196 PolarHBondContact O-N 2.72Å; I196-Q199 WeakPolarHBondContact O-CB 3.24Å; I196-Q199 PolarHBondContact O-N 3.29Å; I196-A200 PolarHBondContact O-N 3.28Å
197F98.4Very high96Very high0 Ų058.4 Ų58.40%029%0.288CS..Hα-helixtrans-68.7-38.2179.2-86.3-106.7000112.5I180 Q182 E193 I194 Q199 A200 E201 R207 T208 I209 L227 V229I180-F197 HydrophobicContact CG1-CZ 4.47Å; I180-F197 HydrophobicContact CG2-CD1 4.43Å; I180-F197 HydrophobicContact CG2-CE1 4.03Å; I180-F197 HydrophobicContact CG2-CZ 4.18Å; Q182-F197 HydrophobicContact CB-CE2 3.76Å; Q182-F197 HydrophobicContact CB-CZ 3.66Å; E193-F197 WeakPolarHBondContact O-CD2 3.34Å; E193-F197 PolarHBondContact O-N 2.6Å; I194-F197 PolarHBondContact O-N 2.78Å; F197-Q199 VanDerWaalsContact C-N 3.28Å; F197-Q199 PolarHBondContact O-N 2.88Å; F197-A200 WeakPolarHBondContact O-CB 3.47Å; F197-A200 PolarHBondContact O-N 3.12Å; F197-E201 PolarHBondContact O-N 3.14Å; F197-R207 HydrophobicContact CD1-CB 3.89Å; F197-R207 HydrophobicContact CD1-CG 3.81Å; F197-R207 HydrophobicContact CE1-CB 4.03Å; F197-R207 HydrophobicContact CE1-CG 4.26Å; F197-R207 WeakPolarHBondContact O-CD 3.5Å; F197-T208 WeakPolarHBondContact CE1-O 3.16Å; F197-I209 HydrophobicContact CE1-CD1 4.44Å; F197-I209 HydrophobicContact CZ-CD1 4.24Å; F197-L227 HydrophobicContact CB-CB 3.83Å; F197-L227 HydrophobicContact CB-CD2 4.16Å; F197-L227 HydrophobicContact CB-CG 3.97Å; F197-L227 HydrophobicContact CD1-CB 4.14Å; F197-L227 HydrophobicContact CD1-CD2 4.2Å; F197-L227 HydrophobicContact CD2-CD2 3.96Å; F197-L227 HydrophobicContact CE2-CD2 4.43Å; F197-L227 HydrophobicContact CG-CB 4.1Å; F197-L227 HydrophobicContact CG-CD2 3.83Å; F197-L227 HydrophobicContact CG-CG 4.18Å; F197-V229 HydrophobicContact CD1-CG1 4.09Å; F197-V229 HydrophobicContact CE1-CG1 4.17Å
198N98.5Very high96.7Very high37 Ų3753.5 Ų53.520%0.19826%0.258CS..Hα-helixtrans-64-31.9171.5-80-56.6000112.8I194 T195 K202 D226 H228I194-N198 VanDerWaalsContact CG2-ND2 3.29Å; I194-N198 WeakPolarHBondContact CG2-ND2 3.49Å; I194-N198 WeakPolarHBondContact O-CB 3.45Å; I194-N198 PolarHBondContact O-N 3.42Å; I194-N198 PolarHBondContact O-ND2 3.36Å; T195-N198 PolarHBondContact O-N 3.12Å; N198-K202 WeakPolarHBondContact O-CG 3.43Å; N198-K202 PolarHBondContact O-N 3.14Å; N198-D226 PolarHBondContact ND2-O 3.49Å; N198-H228 PolarHBondContact OD1-CE1 3.45Å; N198-H228 VanDerWaalsContact OD1-CE1 3.22Å; N198-H228 PolarHBondContact OD1-ND1 3.31Å
199Q98.6Very high97.1Very high75 Ų7546.3 Ų46.335%0.3523%0.227SC..Hα-helixtrans-71.8-42.1171.5-71.9175.1400111.4L166 T195 I196 F197 E201 K202 M203L166-Q199 HydrophobicContact CD2-CB 3.59Å; T195-Q199 WeakPolarHBondContact O-CG 3.26Å; T195-Q199 PolarHBondContact O-N 3.28Å; I196-Q199 WeakPolarHBondContact O-CB 3.24Å; I196-Q199 PolarHBondContact O-N 3.29Å; F197-Q199 VanDerWaalsContact C-N 3.28Å; F197-Q199 PolarHBondContact O-N 2.88Å; Q199-E201 VanDerWaalsContact C-N 3.29Å; Q199-E201 PolarHBondContact O-N 2.94Å; Q199-K202 PolarHBondContact O-N 3.03Å; Q199-K202 VanDerWaalsContact O-N 3.15Å; Q199-M203 VanDerWaalsContact O-CG 3.24Å; Q199-M203 WeakPolarHBondContact O-CG 3.45Å; Q199-M203 PolarHBondContact O-N 3.36Å
200A98.7Very high97.4Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-56.1-44.417500000111.8L166 I180 I196 F197 M203 G204 I205 R207L166-A200 HydrophobicContact CD1-CB 3.7Å; I180-A200 HydrophobicContact CG2-CB 3.95Å; I196-A200 PolarHBondContact O-N 3.28Å; F197-A200 WeakPolarHBondContact O-CB 3.47Å; F197-A200 PolarHBondContact O-N 3.12Å; A200-M203 CarbonylContact O-C 3.52Å; A200-M203 PolarHBondContact O-N 3.39Å; A200-G204 PolarHBondContact O-N 2.59Å; A200-G204 VanDerWaalsContact O-N 3.11Å; A200-I205 HydrophobicContact CB-CB 4.07Å; A200-I205 HydrophobicContact CB-CG2 4.29Å; A200-I205 PolarHBondContact O-N 2.92Å; A200-R207 HydrophobicContact CB-CG 4.02Å
201E98.5Very high97.5Very high79 Ų7943.7 Ų43.737%0.36921%0.213SC..Hα-helixtrans-56.6-51.6173.9-175.8-170.5-152.900111.7F197 Q199 M203 G204 H228F197-E201 PolarHBondContact O-N 3.14Å; Q199-E201 VanDerWaalsContact C-N 3.29Å; Q199-E201 PolarHBondContact O-N 2.94Å; E201-M203 PolarHBondContact O-N 2.8Å; E201-G204 PolarHBondContact O-N 3.08Å; E201-H228 VanDerWaalsContact CD-ND1 3.3Å; E201-H228 IonicContact OE1-CG 3.07Å; E201-H228 IonicContact OE1-ND1 2.68Å; E201-H228 PolarHBondContact OE1-ND1 3.25Å; E201-H228 IonicContact OE2-CE1 3.27Å; E201-H228 IonicContact OE2-CG 2.82Å; E201-H228 IonicContact OE2-ND1 3.46Å; E201-H228 PolarHBondContact OE2-ND1 2.73Å
202K98.6Very high97.6Very high176 Ų17636.6 Ų36.677%0.76518%0.18SC*.Hα-helixtrans-60.6-28179-69.5171.2-172.1176.90113.2N198 Q199N198-K202 WeakPolarHBondContact O-CG 3.43Å; N198-K202 PolarHBondContact O-N 3.14Å; Q199-K202 PolarHBondContact O-N 3.03Å; Q199-K202 VanDerWaalsContact O-N 3.15Å
203M98.3Very high97.5Very high67 Ų6731.5 Ų31.533%0.3316%0.161SC..THydrogen-bonded Turntrans-87.2-5.7178-65.117071.400113.2L166 D170 R173 Q199 A200 E201 I205L166-M203 HydrophobicContact CD1-SD 4.11Å; L166-M203 HydrophobicContact CD2-SD 4.08Å; L166-M203 HydrophobicContact CG-SD 4.11Å; D170-M203 HydrophobicContact CB-CE 3.46Å; D170-M203 VanDerWaalsContact CB-CE 3.46Å; D170-M203 VanDerWaalsContact CG-CE 3.44Å; R173-M203 PolarHBondContact NH1-O 3.44Å; Q199-M203 VanDerWaalsContact O-CG 3.24Å; Q199-M203 WeakPolarHBondContact O-CG 3.45Å; Q199-M203 PolarHBondContact O-N 3.36Å; A200-M203 CarbonylContact O-C 3.52Å; A200-M203 PolarHBondContact O-N 3.39Å; E201-M203 PolarHBondContact O-N 2.8Å; M203-I205 VanDerWaalsContact C-N 3.31Å; M203-I205 HydrophobicContact CB-CD1 3.94Å; M203-I205 HydrophobicContact CB-CG1 4.09Å; M203-I205 HydrophobicContact CE-CD1 3.91Å; M203-I205 HydrophobicContact SD-CD1 4.25Å
204G97.8Very high97Very high42 Ų4232.7 Ų32.743%0.43317%0.168SC..THydrogen-bonded Turntrans66.332.3-174.100000113R173 A200 E201R173-G204 PolarHBondContact NH2-O 3.44Å; A200-G204 PolarHBondContact O-N 2.59Å; A200-G204 VanDerWaalsContact O-N 3.11Å; E201-G204 PolarHBondContact O-N 3.08Å
205I98.6Very high96.5Very high7 Ų732 Ų324%0.03617%0.168CC..  trans-91.4124.8172.4-66168000107.5L166 C169 D170 I180 A200 M203 R207L166-I205 HydrophobicContact CD1-CD1 3.64Å; C169-I205 HydrophobicContact CB-CD1 4Å; C169-I205 HydrophobicContact CB-CG2 3.9Å; D170-I205 HydrophobicContact CB-CD1 3.96Å; I180-I205 HydrophobicContact CB-CG2 4.31Å; I180-I205 HydrophobicContact CG2-CG2 4.25Å; A200-I205 HydrophobicContact CB-CB 4.07Å; A200-I205 HydrophobicContact CB-CG2 4.29Å; A200-I205 PolarHBondContact O-N 2.92Å; M203-I205 VanDerWaalsContact C-N 3.31Å; M203-I205 HydrophobicContact CB-CD1 3.94Å; M203-I205 HydrophobicContact CB-CG1 4.09Å; M203-I205 HydrophobicContact CE-CD1 3.91Å; M203-I205 HydrophobicContact SD-CD1 4.25Å; I205-R207 PolarHBondContact O-NH1 2.81Å
206H98.8Very high96.2Very high56 Ų5632.4 Ų32.426%0.25917%0.171SC..EExtended strand (participates in β ladder)trans-64.9148.9-178.1-70.2-70.7000112.8V178 G179 I180 E230 F331V178-H206 WeakPolarHBondContact O-CB 3.25Å; V178-H206 PolarHBondContact O-CD2 3.43Å; G179-H206 CarbonylContact C-O 3.5Å; G179-H206 WeakPolarHBondContact CA-O 3.43Å; I180-H206 PolarHBondContact N-O 3.08Å; H206-E230 VanDerWaalsContact CA-OE2 3.25Å; H206-E230 WeakPolarHBondContact CA-OE2 3.44Å; H206-E230 IonicContact CE1-OE1 3.76Å; H206-E230 PolarHBondContact CE1-OE1 3.09Å; H206-E230 IonicContact CG-OE2 2.7Å; H206-E230 VanDerWaalsContact ND1-CD 3.31Å; H206-E230 IonicContact ND1-OE1 3.99Å; H206-E230 PolarHBondContact ND1-OE1 2.93Å; H206-E230 IonicContact ND1-OE2 3.91Å; H206-E230 PolarHBondContact ND1-OE2 3.49Å; H206-F331 HydrophobicContact CB-CB 4.06Å; H206-F331 HydrophobicContact CB-CD1 3.44Å; H206-F331 VanDerWaalsContact CB-CD1 3.44Å; H206-F331 HydrophobicContact CB-CD2 3.66Å; H206-F331 HydrophobicContact CB-CE1 3.63Å; H206-F331 HydrophobicContact CB-CE2 3.82Å; H206-F331 HydrophobicContact CB-CG 3.45Å; H206-F331 VanDerWaalsContact CB-CG 3.45Å; H206-F331 HydrophobicContact CB-CZ 3.8Å; H206-F331 AromaticContact CD2-CD1 3.96Å; H206-F331 AromaticContact CD2-CG 3.92Å; H206-F331 AromaticContact CG-CD1 3.37Å; H206-F331 AromaticContact CG-CE1 3.91Å; H206-F331 AromaticContact CG-CG 3.61Å; H206-F331 AromaticContact ND1-CD1 3.5Å; H206-F331 WeakPolarHBondContact ND1-CD1 3.2Å; H206-F331 AromaticContact ND1-CE1 3.88Å
207R98.7Very high96Very high22 Ų2232.6 Ų32.68%0.08317%0.172CC..EExtended strand (participates in β ladder)trans-126.7118.8-170.1-64.8160.7-52.3-60.5-6.8111.5I180 F197 A200 I205 H228 V229 E230 R231I180-R207 HydrophobicContact CG2-CG 3.94Å; F197-R207 HydrophobicContact CD1-CB 3.89Å; F197-R207 HydrophobicContact CD1-CG 3.81Å; F197-R207 HydrophobicContact CE1-CB 4.03Å; F197-R207 HydrophobicContact CE1-CG 4.26Å; F197-R207 WeakPolarHBondContact O-CD 3.5Å; A200-R207 HydrophobicContact CB-CG 4.02Å; I205-R207 PolarHBondContact O-NH1 2.81Å; R207-H228 PolarHBondContact NE-O 3.11Å; R207-H228 PolarHBondContact NH2-O 3.35Å; R207-V229 HydrophobicContact CB-CB 4.46Å; R207-V229 HydrophobicContact CB-CG1 4.27Å; R207-E230 IonicContact CZ-OE2 3.14Å; R207-E230 PolarHBondContact N-OE2 3.28Å; R207-E230 IonicContact NH1-OE2 3.28Å; R207-E230 PolarHBondContact NH1-OE2 3.15Å; R207-E230 IonicContact NH2-OE2 3.16Å; R207-E230 PolarHBondContact NH2-OE2 3.28Å; R207-E230 PolarHBondContact O-N 2.93Å; R207-R231 PolarHBondContact O-N 3.36Å
208T98.8Very high95.8Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-119.8164.3162.8-170.40000109.6L151 I180 D181 F197 R231 E256 F331L151-T208 HydrophobicContact CD1-CG2 3.85Å; I180-T208 PolarHBondContact O-N 2.91Å; D181-T208 WeakPolarHBondContact CA-O 3.49Å; D181-T208 HydrophobicContact CB-CG2 3.77Å; F197-T208 WeakPolarHBondContact CE1-O 3.16Å; T208-R231 WeakPolarHBondContact CA-O 2.99Å; T208-R231 PolarHBondContact OG1-O 3.06Å; T208-E256 PolarHBondContact OG1-OE1 2.87Å; T208-E256 PolarHBondContact OG1-OE2 3.39Å; T208-F331 HydrophobicContact CG2-CE2 4.41Å
209I97.3Very high95.6Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-155.6144.3179.4-167.2149.2000111.9D181 Q182 F189 F197 A211 A223 L227 V229 R231 I232 G233D181-I209 WeakPolarHBondContact OD1-CA 3.27Å; D181-I209 PolarHBondContact OD1-N 3.31Å; Q182-I209 HydrophobicContact CB-CD1 3.63Å; Q182-I209 HydrophobicContact CB-CG1 3.71Å; Q182-I209 HydrophobicContact CG-CD1 3.88Å; Q182-I209 HydrophobicContact CG-CG1 4.12Å; F189-I209 HydrophobicContact CD1-CD1 3.74Å; F189-I209 HydrophobicContact CD2-CD1 4.32Å; F189-I209 HydrophobicContact CE1-CD1 3.24Å; F189-I209 HydrophobicContact CE1-CG1 3.7Å; F189-I209 HydrophobicContact CE2-CD1 3.85Å; F189-I209 HydrophobicContact CE2-CG1 4.36Å; F189-I209 HydrophobicContact CG-CD1 4.28Å; F189-I209 HydrophobicContact CZ-CD1 3.31Å; F189-I209 HydrophobicContact CZ-CG1 3.54Å; F197-I209 HydrophobicContact CE1-CD1 4.44Å; F197-I209 HydrophobicContact CZ-CD1 4.24Å; I209-A211 HydrophobicContact CG2-CB 4.19Å; I209-A211 PolarHBondContact O-N 2.76Å; I209-A223 HydrophobicContact CG2-CB 3.53Å; I209-L227 HydrophobicContact CD1-CD2 3.39Å; I209-V229 HydrophobicContact CB-CG1 4.08Å; I209-V229 HydrophobicContact CG2-CB 4.25Å; I209-V229 HydrophobicContact CG2-CG1 3.7Å; I209-V229 HydrophobicContact CG2-CG2 4.04Å; I209-R231 PolarHBondContact N-O 3.37Å; I209-I232 CarbonylContact O-C 3.3Å; I209-I232 WeakPolarHBondContact O-CA 3.12Å; I209-G233 WeakPolarHBondContact O-CA 3.49Å; I209-G233 PolarHBondContact O-N 3.1Å
210H97.2Very high95.5Very high13 Ų1332.2 Ų32.26%0.0617%0.173CC..EExtended strand (participates in β ladder)trans-73.2112165.3-6960.5000109.5H10 H12 D181 Q182 H234H10-H210 AromaticContact CE1-CD2 3.85Å; H10-H210 AromaticContact CE1-CE1 3.35Å; H10-H210 PolarHBondContact CE1-CE1 2.57Å; H10-H210 AromaticContact CE1-ND1 4Å; H10-H210 AromaticContact CE1-NE2 3.25Å; H10-H210 PolarHBondContact CE1-NE2 3Å; H10-H210 VanDerWaalsContact CE1-NE2 3.25Å; H10-H210 AromaticContact NE2-CE1 3.55Å; H10-H210 AromaticContact NE2-NE2 3.15Å; H10-H210 PolarHBondContact NE2-NE2 3.49Å; H10-H210 VanDerWaalsContact NE2-NE2 3.15Å; H12-H210 AromaticContact CE1-CE1 3.49Å; H12-H210 PolarHBondContact CE1-CE1 3.25Å; H12-H210 VanDerWaalsContact CE1-CE1 3.49Å; H12-H210 AromaticContact CE1-NE2 3.4Å; H12-H210 PolarHBondContact CE1-NE2 2.76Å; H12-H210 AromaticContact NE2-CE1 3.68Å; H12-H210 AromaticContact NE2-NE2 3.24Å; H12-H210 PolarHBondContact NE2-NE2 2.91Å; D181-H210 IonicContact OD1-ND1 3.46Å; D181-H210 PolarHBondContact OD1-ND1 3.18Å; D181-H210 IonicContact OD2-CE1 3.89Å; D181-H210 PolarHBondContact OD2-CE1 3.16Å; D181-H210 IonicContact OD2-ND1 2.75Å; D181-H210 PolarHBondContact OD2-ND1 2.85Å; Q182-H210 WeakPolarHBondContact O-CB 3.38Å; Q182-H210 PolarHBondContact O-N 3.13Å; Q182-H210 PolarHBondContact O-ND1 3.46Å; H210-H234 AromaticContact CD2-CD2 3.7Å; H210-H234 AromaticContact CD2-NE2 3.32Å; H210-H234 PolarHBondContact CD2-NE2 3.18Å; H210-H234 VanDerWaalsContact CD2-NE2 3.32Å; H210-H234 AromaticContact NE2-NE2 3.85Å
211A96Very high95.3Very high1 Ų135.9 Ų35.91%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-147.8149.8175.700000110.7F189 I209 E213 V220 A223 I232 G233 G235F189-A211 HydrophobicContact CE2-CB 4.34Å; F189-A211 HydrophobicContact CZ-CB 4.21Å; I209-A211 HydrophobicContact CG2-CB 4.19Å; I209-A211 PolarHBondContact O-N 2.76Å; A211-E213 PolarHBondContact O-N 3.41Å; A211-E213 VanDerWaalsContact O-N 3.15Å; A211-V220 HydrophobicContact CB-CG2 3.97Å; A211-A223 HydrophobicContact CB-CB 4.14Å; A211-I232 HydrophobicContact CB-CG2 4.09Å; A211-I232 WeakPolarHBondContact O-CG2 3.49Å; A211-G233 PolarHBondContact N-O 3.1Å; A211-G235 VanDerWaalsContact O-CA 3.24Å; A211-G235 WeakPolarHBondContact O-CA 3.37Å; A211-G235 PolarHBondContact O-N 3.36Å
212G95.2Very high95.2Very high0 Ų033.2 Ų33.20%018%0.176CC..SBendtrans65.212.2-176.400000114.7N219 V220 Y236 R237G212-N219 PolarHBondContact N-OD1 2.91Å; G212-V220 VanDerWaalsContact CA-CG2 3.46Å; G212-Y236 PolarHBondContact O-N 3.19Å; G212-R237 VanDerWaalsContact O-CG 3.29Å; G212-R237 WeakPolarHBondContact O-CG 3.04Å; G212-R237 PolarHBondContact O-N 2.97Å; G212-R237 VanDerWaalsContact O-N 3.08Å
213E93.2Very high95Very high5 Ų524.9 Ų24.92%0.02314%0.14CC..SBendtrans-81.4-59.8164.2-168.9-160.4175.500109.3A211 H234 R237 T265 S267A211-E213 PolarHBondContact O-N 3.41Å; A211-E213 VanDerWaalsContact O-N 3.15Å; E213-H234 HydrophobicContact CB-CB 3.76Å; E213-H234 HydrophobicContact CG-CB 4.15Å; E213-H234 IonicContact OE1-CE1 3.42Å; E213-H234 IonicContact OE1-NE2 3.32Å; E213-H234 IonicContact OE2-CD2 3.55Å; E213-H234 IonicContact OE2-NE2 3.3Å; E213-H234 PolarHBondContact OE2-NE2 3.34Å; E213-R237 PolarHBondContact O-NE 2.94Å; E213-R237 PolarHBondContact O-NH2 3.47Å; E213-T265 PolarHBondContact OE1-OG1 3.05Å; E213-S267 VanDerWaalsContact CA-OG 3.25Å; E213-S267 WeakPolarHBondContact CA-OG 3.48Å; E213-S267 WeakPolarHBondContact O-CB 3.35Å; E213-S267 PolarHBondContact O-OG 2.99Å
214T84.2Confident94.9Very high29 Ų2923 Ų2318%0.17813%0.131CC..SBendtrans-104.1176.2162.956.20000110.1L53 N219L53-T214 HydrophobicContact CB-CG2 3.94Å; L53-T214 HydrophobicContact CD2-CG2 3.43Å; L53-T214 VanDerWaalsContact CD2-CG2 3.43Å; L53-T214 HydrophobicContact CG-CG2 4.31Å; T214-N219 PolarHBondContact O-ND2 3.13Å
215G85.2Confident94.8Very high13 Ų1326.2 Ų26.213%0.13414%0.135CC..SBendtrans76.8-142.1-178.100000113.6R237G215-R237 WeakPolarHBondContact O-CD 3.2Å; G215-R237 PolarHBondContact O-NH1 3.42Å
216T90.7Very high94.7Very high57 Ų5729.1 Ų29.135%0.3515%0.151SC..  trans-134.2-176.517960.20000109D218 N219T216-D218 PolarHBondContact O-N 3.36Å; T216-D218 VanDerWaalsContact O-N 3.09Å; T216-D218 VanDerWaalsContact OG1-CB 3.31Å; T216-D218 WeakPolarHBondContact OG1-CB 3.39Å; T216-D218 PolarHBondContact OG1-N 2.86Å; T216-D218 VanDerWaalsContact OG1-N 3.17Å; T216-D218 PolarHBondContact OG1-OD2 3.14Å; T216-N219 PolarHBondContact O-N 3.46Å; T216-N219 PolarHBondContact O-OD1 2.84Å
217A94.9Very high94.7Very high5 Ų526.5 Ų26.54%0.04114%0.138CC..Hα-helixtrans-55.7-21.9167.700000113.1N219 V220 K221 R237 Q240 D241 I244A217-N219 PolarHBondContact O-N 3.06Å; A217-V220 WeakPolarHBondContact O-CB 3.22Å; A217-V220 PolarHBondContact O-N 3Å; A217-V220 VanDerWaalsContact O-N 3.17Å; A217-K221 PolarHBondContact O-N 3.44Å; A217-R237 WeakPolarHBondContact CB-O 3.32Å; A217-Q240 HydrophobicContact CB-CB 4.26Å; A217-D241 HydrophobicContact CB-CB 3.5Å; A217-D241 VanDerWaalsContact CB-CB 3.5Å; A217-I244 HydrophobicContact CB-CD1 4.06Å; A217-I244 VanDerWaalsContact O-CD1 3.22Å; A217-I244 WeakPolarHBondContact O-CD1 3.35Å
218D94.3Very high94.6Very high104 Ų10428.6 Ų28.656%0.55615%0.149SC*.Hα-helixtrans-64.7-36.2-180-58.1-53.6000113.1T216 V220 K221 Q222T216-D218 PolarHBondContact O-N 3.36Å; T216-D218 VanDerWaalsContact O-N 3.09Å; T216-D218 VanDerWaalsContact OG1-CB 3.31Å; T216-D218 WeakPolarHBondContact OG1-CB 3.39Å; T216-D218 PolarHBondContact OG1-N 2.86Å; T216-D218 VanDerWaalsContact OG1-N 3.17Å; T216-D218 PolarHBondContact OG1-OD2 3.14Å; D218-V220 VanDerWaalsContact C-N 3.3Å; D218-K221 VanDerWaalsContact O-CB 3.28Å; D218-K221 WeakPolarHBondContact O-CB 3.43Å; D218-K221 PolarHBondContact O-N 3.32Å; D218-Q222 WeakPolarHBondContact O-CB 3.37Å; D218-Q222 PolarHBondContact O-N 3.16Å
219N94.4Very high94.6Very high1 Ų128.7 Ų28.71%0.00515%0.149CC..Hα-helixtrans-70.8-30.9176.373.22.1000111.2N186 F189 G212 T214 T216 A217 Q222 A223N186-N219 PolarHBondContact O-ND2 3.24Å; N186-N219 VanDerWaalsContact O-ND2 3.07Å; F189-N219 HydrophobicContact CE2-CB 4.24Å; F189-N219 WeakPolarHBondContact CE2-O 3.45Å; G212-N219 PolarHBondContact N-OD1 2.91Å; T214-N219 PolarHBondContact O-ND2 3.13Å; T216-N219 PolarHBondContact O-N 3.46Å; T216-N219 PolarHBondContact O-OD1 2.84Å; A217-N219 PolarHBondContact O-N 3.06Å; N219-Q222 PolarHBondContact O-N 3.16Å; N219-A223 WeakPolarHBondContact O-CB 3.38Å; N219-A223 PolarHBondContact O-N 3.28Å
220V95.6Very high94.6Very high0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-67.6-40.7171.1-174.40000110.8A211 G212 A217 D218 Q222 A223 I224 I232 V238 I244A211-V220 HydrophobicContact CB-CG2 3.97Å; G212-V220 VanDerWaalsContact CA-CG2 3.46Å; A217-V220 WeakPolarHBondContact O-CB 3.22Å; A217-V220 PolarHBondContact O-N 3Å; A217-V220 VanDerWaalsContact O-N 3.17Å; D218-V220 VanDerWaalsContact C-N 3.3Å; V220-Q222 VanDerWaalsContact C-N 3.32Å; V220-Q222 PolarHBondContact O-N 3.32Å; V220-A223 WeakPolarHBondContact O-CB 3.38Å; V220-A223 PolarHBondContact O-N 3.15Å; V220-I224 HydrophobicContact CG1-CD1 4.06Å; V220-I224 WeakPolarHBondContact O-CG1 3.43Å; V220-I224 PolarHBondContact O-N 3.28Å; V220-I224 VanDerWaalsContact O-N 3.07Å; V220-I232 HydrophobicContact CG1-CD1 3.53Å; V220-I232 HydrophobicContact CG1-CG1 4.38Å; V220-I232 HydrophobicContact CG1-CG2 4.48Å; V220-V238 HydrophobicContact CB-CG1 3.87Å; V220-V238 HydrophobicContact CG1-CG1 3.47Å; V220-V238 VanDerWaalsContact CG1-CG1 3.47Å; V220-V238 HydrophobicContact CG2-CG1 3.82Å; V220-I244 HydrophobicContact CG1-CG2 4.29Å
221K95.3Very high94.7Very high77 Ų7730.9 Ų30.934%0.33516%0.16SC..Hα-helixtrans-55.4-51.2173.6-160.1176.6171.3176.20111.1A217 D218 A223 I224 E225 I244A217-K221 PolarHBondContact O-N 3.44Å; D218-K221 VanDerWaalsContact O-CB 3.28Å; D218-K221 WeakPolarHBondContact O-CB 3.43Å; D218-K221 PolarHBondContact O-N 3.32Å; K221-A223 VanDerWaalsContact C-N 3.34Å; K221-A223 PolarHBondContact O-N 3.06Å; K221-I224 PolarHBondContact O-N 3.41Å; K221-I224 VanDerWaalsContact O-N 3.16Å; K221-E225 WeakPolarHBondContact CE-OE1 3.46Å; K221-E225 WeakPolarHBondContact CE-OE2 3.13Å; K221-E225 HydrophobicContact CG-CG 4.28Å; K221-E225 WeakPolarHBondContact O-CB 3.21Å; K221-E225 WeakPolarHBondContact O-CG 3.34Å; K221-E225 PolarHBondContact O-N 3.25Å; K221-I244 HydrophobicContact CB-CD1 3.45Å; K221-I244 VanDerWaalsContact CB-CD1 3.45Å; K221-I244 HydrophobicContact CB-CG1 4.23Å; K221-I244 HydrophobicContact CD-CD1 4.13Å; K221-I244 HydrophobicContact CD-CG1 4.46Å; K221-I244 HydrophobicContact CG-CD1 3.83Å; K221-I244 HydrophobicContact CG-CG1 4.13Å
222Q95.6Very high94.8Very high23 Ų2330.9 Ų30.911%0.10716%0.159CC..Hα-helixtrans-61.7-43-179.4-162-176.82300111.5F189 D218 N219 V220 I224 E225 D226 L227F189-Q222 HydrophobicContact CD2-CB 4.23Å; F189-Q222 HydrophobicContact CD2-CG 4.31Å; F189-Q222 PolarHBondContact O-NE2 3.29Å; D218-Q222 WeakPolarHBondContact O-CB 3.37Å; D218-Q222 PolarHBondContact O-N 3.16Å; N219-Q222 PolarHBondContact O-N 3.16Å; V220-Q222 VanDerWaalsContact C-N 3.32Å; V220-Q222 PolarHBondContact O-N 3.32Å; Q222-I224 VanDerWaalsContact C-N 3.28Å; Q222-I224 PolarHBondContact O-N 3.26Å; Q222-E225 PolarHBondContact O-N 3.08Å; Q222-D226 HydrophobicContact CG-CB 4.05Å; Q222-D226 WeakPolarHBondContact CG-OD2 3.46Å; Q222-D226 WeakPolarHBondContact O-CA 3.38Å; Q222-D226 WeakPolarHBondContact O-CB 3.25Å; Q222-D226 PolarHBondContact O-N 3.34Å; Q222-L227 HydrophobicContact CG-CD1 4.27Å; Q222-L227 WeakPolarHBondContact O-CD1 3.26Å; Q222-L227 PolarHBondContact O-N 3.19Å
223A95.8Very high94.9Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-54.9-44.3174.300000112.3F189 I209 A211 N219 V220 K221 L227 H228 V229F189-A223 HydrophobicContact CE2-CB 4.03Å; I209-A223 HydrophobicContact CG2-CB 3.53Å; A211-A223 HydrophobicContact CB-CB 4.14Å; N219-A223 WeakPolarHBondContact O-CB 3.38Å; N219-A223 PolarHBondContact O-N 3.28Å; V220-A223 WeakPolarHBondContact O-CB 3.38Å; V220-A223 PolarHBondContact O-N 3.15Å; K221-A223 VanDerWaalsContact C-N 3.34Å; K221-A223 PolarHBondContact O-N 3.06Å; A223-L227 CarbonylContact O-C 3.45Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 3.07Å; A223-H228 PolarHBondContact O-N 3.03Å; A223-V229 HydrophobicContact CB-CG2 4.04Å; A223-V229 WeakPolarHBondContact O-CG2 3.41Å; A223-V229 PolarHBondContact O-N 3.49Å
224I95.7Very high95.1Very high27 Ų2730.6 Ų30.614%0.13816%0.158CC..Hα-helixtrans-73.3-51.7-179.8-63.7170.1000111.1V220 K221 Q222 H228 I232 I244 L248 Q253V220-I224 HydrophobicContact CG1-CD1 4.06Å; V220-I224 WeakPolarHBondContact O-CG1 3.43Å; V220-I224 PolarHBondContact O-N 3.28Å; V220-I224 VanDerWaalsContact O-N 3.07Å; K221-I224 PolarHBondContact O-N 3.41Å; K221-I224 VanDerWaalsContact O-N 3.16Å; Q222-I224 VanDerWaalsContact C-N 3.28Å; Q222-I224 PolarHBondContact O-N 3.26Å; I224-H228 WeakPolarHBondContact O-CA 3.39Å; I224-H228 PolarHBondContact O-N 3.4Å; I224-I232 HydrophobicContact CD1-CD1 3.96Å; I224-I232 HydrophobicContact CG1-CD1 3.99Å; I224-I244 HydrophobicContact CD1-CG2 4.2Å; I224-L248 HydrophobicContact CD1-CD2 4.31Å; I224-Q253 HydrophobicContact CD1-CG 4.38Å; I224-Q253 HydrophobicContact CG1-CG 4.12Å
225E95.7Very high95.7Very high111 Ų11129.2 Ų29.252%0.51915%0.15SC..Hα-helixtrans-80.4-38.7-168.9-67-179.8178.700113.3K221 Q222 H228K221-E225 WeakPolarHBondContact CE-OE1 3.46Å; K221-E225 WeakPolarHBondContact CE-OE2 3.13Å; K221-E225 HydrophobicContact CG-CG 4.28Å; K221-E225 WeakPolarHBondContact O-CB 3.21Å; K221-E225 WeakPolarHBondContact O-CG 3.34Å; K221-E225 PolarHBondContact O-N 3.25Å; Q222-E225 PolarHBondContact O-N 3.08Å; E225-H228 PolarHBondContact O-CD2 2.75Å; E225-H228 PolarHBondContact O-NE2 3.18Å
226D97.1Very high96.3Very high68 Ų6828.9 Ų28.936%0.36415%0.145SC..THydrogen-bonded Turntrans-102.5-29-173.3-65.5-13.5000113I194 N198 Q222I194-D226 HydrophobicContact CD1-CB 4.25Å; I194-D226 HydrophobicContact CG1-CB 4.19Å; I194-D226 HydrophobicContact CG2-CB 4.35Å; N198-D226 PolarHBondContact ND2-O 3.49Å; Q222-D226 HydrophobicContact CG-CB 4.05Å; Q222-D226 WeakPolarHBondContact CG-OD2 3.46Å; Q222-D226 WeakPolarHBondContact O-CA 3.38Å; Q222-D226 WeakPolarHBondContact O-CB 3.25Å; Q222-D226 PolarHBondContact O-N 3.34Å
227L97.2Very high96.6Very high0 Ų029.2 Ų29.20%014%0.139CC..THydrogen-bonded Turntrans-106-6.3-176.8-70.478.3000113.1F189 I194 F197 I209 Q222 A223 V229F189-L227 HydrophobicContact CB-CD1 4.03Å; F189-L227 HydrophobicContact CB-CD2 4.29Å; F189-L227 HydrophobicContact CD1-CD2 4.31Å; F189-L227 HydrophobicContact CD2-CD1 4.06Å; F189-L227 HydrophobicContact CD2-CD2 4.27Å; F189-L227 HydrophobicContact CG-CD1 4.19Å; F189-L227 HydrophobicContact CG-CD2 4.01Å; I194-L227 HydrophobicContact CG1-CD1 3.63Å; I194-L227 HydrophobicContact CG1-CG 4.29Å; F197-L227 HydrophobicContact CB-CB 3.83Å; F197-L227 HydrophobicContact CB-CD2 4.16Å; F197-L227 HydrophobicContact CB-CG 3.97Å; F197-L227 HydrophobicContact CD1-CB 4.14Å; F197-L227 HydrophobicContact CD1-CD2 4.2Å; F197-L227 HydrophobicContact CD2-CD2 3.96Å; F197-L227 HydrophobicContact CE2-CD2 4.43Å; F197-L227 HydrophobicContact CG-CB 4.1Å; F197-L227 HydrophobicContact CG-CD2 3.83Å; F197-L227 HydrophobicContact CG-CG 4.18Å; I209-L227 HydrophobicContact CD1-CD2 3.39Å; Q222-L227 HydrophobicContact CG-CD1 4.27Å; Q222-L227 WeakPolarHBondContact O-CD1 3.26Å; Q222-L227 PolarHBondContact O-N 3.19Å; A223-L227 CarbonylContact O-C 3.45Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 3.07Å; L227-V229 VanDerWaalsContact C-N 3.27Å; L227-V229 HydrophobicContact CB-CG1 4.01Å; L227-V229 PolarHBondContact O-N 2.99Å
228H97.2Very high96.6Very high66 Ų6629 Ų2931%0.30614%0.137SC..  trans50.643.5176.6-50.7146.3000113.6N198 E201 R207 A223 I224 E225N198-H228 PolarHBondContact OD1-CE1 3.45Å; N198-H228 VanDerWaalsContact OD1-CE1 3.22Å; N198-H228 PolarHBondContact OD1-ND1 3.31Å; E201-H228 VanDerWaalsContact CD-ND1 3.3Å; E201-H228 IonicContact OE1-CG 3.07Å; E201-H228 IonicContact OE1-ND1 2.68Å; E201-H228 PolarHBondContact OE1-ND1 3.25Å; E201-H228 IonicContact OE2-CE1 3.27Å; E201-H228 IonicContact OE2-CG 2.82Å; E201-H228 IonicContact OE2-ND1 3.46Å; E201-H228 PolarHBondContact OE2-ND1 2.73Å; R207-H228 PolarHBondContact NE-O 3.11Å; R207-H228 PolarHBondContact NH2-O 3.35Å; A223-H228 PolarHBondContact O-N 3.03Å; I224-H228 WeakPolarHBondContact O-CA 3.39Å; I224-H228 PolarHBondContact O-N 3.4Å; E225-H228 PolarHBondContact O-CD2 2.75Å; E225-H228 PolarHBondContact O-NE2 3.18Å
229V98Very high96.7Very high2 Ų227.2 Ų27.21%0.01213%0.128CC..  trans-71.9147.6-178.6-56.80000112.4F197 R207 I209 A223 L227 I232 Q253F197-V229 HydrophobicContact CD1-CG1 4.09Å; F197-V229 HydrophobicContact CE1-CG1 4.17Å; R207-V229 HydrophobicContact CB-CB 4.46Å; R207-V229 HydrophobicContact CB-CG1 4.27Å; I209-V229 HydrophobicContact CB-CG1 4.08Å; I209-V229 HydrophobicContact CG2-CB 4.25Å; I209-V229 HydrophobicContact CG2-CG1 3.7Å; I209-V229 HydrophobicContact CG2-CG2 4.04Å; A223-V229 HydrophobicContact CB-CG2 4.04Å; A223-V229 WeakPolarHBondContact O-CG2 3.41Å; A223-V229 PolarHBondContact O-N 3.49Å; L227-V229 VanDerWaalsContact C-N 3.27Å; L227-V229 HydrophobicContact CB-CG1 4.01Å; L227-V229 PolarHBondContact O-N 2.99Å; V229-I232 HydrophobicContact CG2-CG1 4Å; V229-Q253 PolarHBondContact O-NE2 3.42Å
230E98.4Very high96.8Very high58 Ų5832.9 Ų32.927%0.27115%0.154SC..SBendtrans-93.5-27.3176.9-65.2165.282.200111H206 R207 Q253 H254 F331H206-E230 VanDerWaalsContact CA-OE2 3.25Å; H206-E230 WeakPolarHBondContact CA-OE2 3.44Å; H206-E230 IonicContact CE1-OE1 3.76Å; H206-E230 PolarHBondContact CE1-OE1 3.09Å; H206-E230 IonicContact CG-OE2 2.7Å; H206-E230 VanDerWaalsContact ND1-CD 3.31Å; H206-E230 IonicContact ND1-OE1 3.99Å; H206-E230 PolarHBondContact ND1-OE1 2.93Å; H206-E230 IonicContact ND1-OE2 3.91Å; H206-E230 PolarHBondContact ND1-OE2 3.49Å; R207-E230 IonicContact CZ-OE2 3.14Å; R207-E230 PolarHBondContact N-OE2 3.28Å; R207-E230 IonicContact NH1-OE2 3.28Å; R207-E230 PolarHBondContact NH1-OE2 3.15Å; R207-E230 IonicContact NH2-OE2 3.16Å; R207-E230 PolarHBondContact NH2-OE2 3.28Å; R207-E230 PolarHBondContact O-N 2.93Å; E230-Q253 WeakPolarHBondContact O-CA 3.48Å; E230-H254 PolarHBondContact O-N 3.07Å; E230-H254 VanDerWaalsContact O-N 3.14Å; E230-F331 HydrophobicContact CB-CE1 3.85Å; E230-F331 HydrophobicContact CB-CZ 4.21Å
231R98.8Very high96.8Very high2 Ų234.4 Ų34.41%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-136.7154.7178.4-47-166.1-52.4-142.80.3111.4E94 R207 T208 I209 H254 E256 S329 F331E94-R231 VanDerWaalsContact CD-NH1 3.33Å; E94-R231 IonicContact OE1-NH1 3.96Å; E94-R231 PolarHBondContact OE1-NH1 3.2Å; E94-R231 IonicContact OE2-CZ 3.87Å; E94-R231 IonicContact OE2-NH1 3.2Å; E94-R231 PolarHBondContact OE2-NH1 3.14Å; E94-R231 IonicContact OE2-NH2 3.16Å; E94-R231 PolarHBondContact OE2-NH2 3.04Å; R207-R231 PolarHBondContact O-N 3.36Å; T208-R231 WeakPolarHBondContact CA-O 2.99Å; T208-R231 PolarHBondContact OG1-O 3.06Å; I209-R231 PolarHBondContact N-O 3.37Å; R231-H254 CarbonylContact C-O 3.52Å; R231-H254 VanDerWaalsContact CA-O 3.25Å; R231-H254 WeakPolarHBondContact CA-O 3.44Å; R231-H254 HydrophobicContact CB-CB 4.36Å; R231-H254 HydrophobicContact CG-CB 3.95Å; R231-E256 HydrophobicContact CB-CG 4.31Å; R231-E256 WeakPolarHBondContact CB-OE1 3.46Å; R231-E256 IonicContact CZ-OE1 3.82Å; R231-E256 VanDerWaalsContact CZ-OE1 3.26Å; R231-E256 IonicContact NE-OE1 3.44Å; R231-E256 PolarHBondContact NE-OE1 3.19Å; R231-E256 IonicContact NH2-OE1 3.92Å; R231-E256 PolarHBondContact NH2-OE1 3.2Å; R231-E256 VanDerWaalsContact NH2-OE1 3.09Å; R231-S329 VanDerWaalsContact CD-O 3.3Å; R231-S329 WeakPolarHBondContact CD-O 3.25Å; R231-S329 PolarHBondContact NH1-O 3.13Å; R231-F331 HydrophobicContact CB-CZ 4.4Å; R231-F331 HydrophobicContact CG-CE1 3.94Å; R231-F331 HydrophobicContact CG-CZ 3.69Å; R231-F331 VanDerWaalsContact NH2-CE2 3.3Å
232I98.1Very high96.8Very high0 Ų035.1 Ų35.10%018%0.175CC..EExtended strand (participates in β ladder)trans-125.7116177.8-63.5153.3000107.7I209 A211 V220 I224 V229 H234 L248 Q253 H254 L255 E256I209-I232 CarbonylContact O-C 3.3Å; I209-I232 WeakPolarHBondContact O-CA 3.12Å; A211-I232 HydrophobicContact CB-CG2 4.09Å; A211-I232 WeakPolarHBondContact O-CG2 3.49Å; V220-I232 HydrophobicContact CG1-CD1 3.53Å; V220-I232 HydrophobicContact CG1-CG1 4.38Å; V220-I232 HydrophobicContact CG1-CG2 4.48Å; I224-I232 HydrophobicContact CD1-CD1 3.96Å; I224-I232 HydrophobicContact CG1-CD1 3.99Å; V229-I232 HydrophobicContact CG2-CG1 4Å; I232-H234 PolarHBondContact O-N 2.94Å; I232-L248 HydrophobicContact CD1-CD2 4.43Å; I232-Q253 HydrophobicContact CD1-CB 4.3Å; I232-Q253 HydrophobicContact CD1-CG 4.25Å; I232-H254 PolarHBondContact N-O 3.25Å; I232-L255 HydrophobicContact CB-CD2 3.88Å; I232-L255 HydrophobicContact CD1-CD2 3.98Å; I232-L255 HydrophobicContact CG2-CD2 4.34Å; I232-L255 WeakPolarHBondContact O-CA 2.86Å; I232-E256 PolarHBondContact O-N 2.97Å
233G98.2Very high96.8Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-56.8123.1163.400000110I209 A211 G235I209-G233 WeakPolarHBondContact O-CA 3.49Å; I209-G233 PolarHBondContact O-N 3.1Å; A211-G233 PolarHBondContact N-O 3.1Å; G233-G235 PolarHBondContact O-N 3.09Å
234H97.6Very high96.7Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans68.4-81.5-176.9-45.3-85.4000114.1H10 H210 E213 I232 Y236 E256 L257 D292H10-H234 AromaticContact CE1-NE2 3.89Å; H10-H234 AromaticContact NE2-NE2 3.87Å; H210-H234 AromaticContact CD2-CD2 3.7Å; H210-H234 AromaticContact CD2-NE2 3.32Å; H210-H234 PolarHBondContact CD2-NE2 3.18Å; H210-H234 VanDerWaalsContact CD2-NE2 3.32Å; H210-H234 AromaticContact NE2-NE2 3.85Å; E213-H234 HydrophobicContact CB-CB 3.76Å; E213-H234 HydrophobicContact CG-CB 4.15Å; E213-H234 IonicContact OE1-CE1 3.42Å; E213-H234 IonicContact OE1-NE2 3.32Å; E213-H234 IonicContact OE2-CD2 3.55Å; E213-H234 IonicContact OE2-NE2 3.3Å; E213-H234 PolarHBondContact OE2-NE2 3.34Å; I232-H234 PolarHBondContact O-N 2.94Å; H234-Y236 VanDerWaalsContact C-N 3.26Å; H234-Y236 HydrophobicContact CB-CD2 3.67Å; H234-Y236 HydrophobicContact CB-CE2 3.54Å; H234-Y236 AromaticContact ND1-CE2 3.87Å; H234-Y236 PolarHBondContact O-N 3.06Å; H234-E256 WeakPolarHBondContact CA-O 3.49Å; H234-E256 PolarHBondContact N-O 3.45Å; H234-L257 WeakPolarHBondContact O-CD2 3.32Å; H234-D292 IonicContact CE1-OD2 2.88Å; H234-D292 PolarHBondContact CE1-OD2 2.88Å; H234-D292 VanDerWaalsContact CE1-OD2 3.28Å; H234-D292 IonicContact NE2-OD2 2.59Å
235G96.9Very high96.7Very high0 Ų038.9 Ų38.90%020%0.199CC..  trans66.417.5179.600000115.4A211 G233 R237 V238A211-G235 VanDerWaalsContact O-CA 3.24Å; A211-G235 WeakPolarHBondContact O-CA 3.37Å; A211-G235 PolarHBondContact O-N 3.36Å; G233-G235 PolarHBondContact O-N 3.09Å; G235-R237 VanDerWaalsContact C-N 3.33Å; G235-R237 PolarHBondContact O-N 3.21Å; G235-V238 WeakPolarHBondContact O-CG1 3.29Å; G235-V238 WeakPolarHBondContact O-CG2 3.36Å; G235-V238 PolarHBondContact O-N 2.82Å
236Y97.3Very high96.7Very high6 Ų637.9 Ų37.92%0.02419%0.194CC..G310 helixtrans-63.6-35.8-174.3-60.4-64.5000113.9G212 H234 V238 L257 C258 S262 V268 H275 P276 F280G212-Y236 PolarHBondContact O-N 3.19Å; H234-Y236 VanDerWaalsContact C-N 3.26Å; H234-Y236 HydrophobicContact CB-CD2 3.67Å; H234-Y236 HydrophobicContact CB-CE2 3.54Å; H234-Y236 AromaticContact ND1-CE2 3.87Å; H234-Y236 PolarHBondContact O-N 3.06Å; Y236-V238 PolarHBondContact O-N 3.26Å; Y236-L257 HydrophobicContact CD1-CD2 4.33Å; Y236-L257 HydrophobicContact CE1-CB 4.28Å; Y236-L257 HydrophobicContact CE1-CD2 3.77Å; Y236-L257 HydrophobicContact CE1-CG 4.48Å; Y236-C258 WeakPolarHBondContact OH-CA 3.15Å; Y236-C258 PolarHBondContact OH-N 2.89Å; Y236-C258 PolarHBondContact OH-O 3.03Å; Y236-S262 VanDerWaalsContact CZ-CB 3.45Å; Y236-V268 HydrophobicContact CD1-CG2 3.92Å; Y236-V268 HydrophobicContact CD2-CG2 3.79Å; Y236-V268 HydrophobicContact CE1-CG2 4.46Å; Y236-V268 HydrophobicContact CE2-CG2 4.39Å; Y236-V268 HydrophobicContact CG-CG2 3.53Å; Y236-H275 AromaticContact CE1-CE1 3.89Å; Y236-P276 HydrophobicContact CD1-CB 4Å; Y236-P276 HydrophobicContact CD1-CG 4.22Å; Y236-F280 HydrophobicContact CD1-CE2 4.15Å
237R95.6Very high96.5Very high64 Ų6437.1 Ų37.124%0.24219%0.194CC..G310 helixtrans-71.5-4.9-176.7-67.4179.9-166.7-142-4.5114.3G212 E213 G215 A217 G235 L239 Q240G212-R237 VanDerWaalsContact O-CG 3.29Å; G212-R237 WeakPolarHBondContact O-CG 3.04Å; G212-R237 PolarHBondContact O-N 2.97Å; G212-R237 VanDerWaalsContact O-N 3.08Å; E213-R237 PolarHBondContact O-NE 2.94Å; E213-R237 PolarHBondContact O-NH2 3.47Å; G215-R237 WeakPolarHBondContact O-CD 3.2Å; G215-R237 PolarHBondContact O-NH1 3.42Å; A217-R237 WeakPolarHBondContact CB-O 3.32Å; G235-R237 VanDerWaalsContact C-N 3.33Å; G235-R237 PolarHBondContact O-N 3.21Å; R237-L239 PolarHBondContact O-N 2.99Å; R237-L239 VanDerWaalsContact O-N 3.1Å; R237-Q240 VanDerWaalsContact O-CB 3.26Å; R237-Q240 WeakPolarHBondContact O-CB 3.38Å; R237-Q240 WeakPolarHBondContact O-CG 3.29Å; R237-Q240 PolarHBondContact O-N 2.9Å
238V96.2Very high96.4Very high0 Ų037.2 Ų37.20%020%0.195CC..G310 helixtrans-57.8-25173.4-61.60000113.3V220 G235 Y236 Q240 D241 I244 Y245 L248 F280V220-V238 HydrophobicContact CB-CG1 3.87Å; V220-V238 HydrophobicContact CG1-CG1 3.47Å; V220-V238 VanDerWaalsContact CG1-CG1 3.47Å; V220-V238 HydrophobicContact CG2-CG1 3.82Å; G235-V238 WeakPolarHBondContact O-CG1 3.29Å; G235-V238 WeakPolarHBondContact O-CG2 3.36Å; G235-V238 PolarHBondContact O-N 2.82Å; Y236-V238 PolarHBondContact O-N 3.26Å; V238-Q240 PolarHBondContact O-N 3.27Å; V238-Q240 VanDerWaalsContact O-N 3.13Å; V238-D241 PolarHBondContact O-N 3.45Å; V238-D241 VanDerWaalsContact O-N 3.14Å; V238-I244 HydrophobicContact CB-CG2 4.45Å; V238-I244 HydrophobicContact CG1-CG2 4.16Å; V238-Y245 HydrophobicContact CG2-CD2 3.93Å; V238-L248 HydrophobicContact CB-CD1 3.96Å; V238-L248 HydrophobicContact CG1-CD1 3.85Å; V238-L248 HydrophobicContact CG2-CD1 3.76Å; V238-F280 HydrophobicContact CG2-CE1 3.89Å; V238-F280 HydrophobicContact CG2-CZ 3.8Å
239L96.2Very high96.3Very high67 Ų6737.3 Ų37.335%0.35119%0.194SC..G310 helixtrans-64.4-13.4174.6-68.6-179.5000113.7R237 Y245 P276 R279 F280R237-L239 PolarHBondContact O-N 2.99Å; R237-L239 VanDerWaalsContact O-N 3.1Å; L239-Y245 HydrophobicContact CD2-CD1 4.06Å; L239-Y245 HydrophobicContact CD2-CD2 3.92Å; L239-Y245 HydrophobicContact CD2-CE1 3.81Å; L239-Y245 HydrophobicContact CD2-CE2 3.71Å; L239-Y245 HydrophobicContact CD2-CG 4.11Å; L239-P276 HydrophobicContact CD1-CB 3.64Å; L239-P276 HydrophobicContact CD1-CG 4.06Å; L239-R279 HydrophobicContact CD1-CB 4.45Å; L239-R279 HydrophobicContact CD2-CG 4.04Å; L239-F280 HydrophobicContact CD1-CE1 4.18Å; L239-F280 HydrophobicContact CD2-CD1 4.45Å; L239-F280 HydrophobicContact CD2-CE1 3.82Å; L239-F280 HydrophobicContact CG-CE1 3.79Å; L239-F280 HydrophobicContact CG-CZ 4.31Å
240Q95.5Very high96.1Very high120 Ų12046 Ų4656%0.56123%0.232SC*.G310 helixtrans-80.7-19.1176.6-59171.6-9.500112.5A217 R237 V238A217-Q240 HydrophobicContact CB-CB 4.26Å; R237-Q240 VanDerWaalsContact O-CB 3.26Å; R237-Q240 WeakPolarHBondContact O-CB 3.38Å; R237-Q240 WeakPolarHBondContact O-CG 3.29Å; R237-Q240 PolarHBondContact O-N 2.9Å; V238-Q240 PolarHBondContact O-N 3.27Å; V238-Q240 VanDerWaalsContact O-N 3.13Å
241D95.8Very high95.6Very high32 Ų3244.7 Ų44.717%0.17123%0.234CC..  trans-123106.8176-173.7-25.9000110.6A217 V238 T243 I244 Y245A217-D241 HydrophobicContact CB-CB 3.5Å; A217-D241 VanDerWaalsContact CB-CB 3.5Å; V238-D241 PolarHBondContact O-N 3.45Å; V238-D241 VanDerWaalsContact O-N 3.14Å; D241-T243 PolarHBondContact O-N 3.07Å; D241-T243 WeakPolarHBondContact OD1-CA 3.45Å; D241-T243 WeakPolarHBondContact OD1-CB 3.48Å; D241-T243 PolarHBondContact OD1-N 3.45Å; D241-T243 PolarHBondContact OD1-OG1 3.27Å; D241-I244 HydrophobicContact CB-CB 4.32Å; D241-I244 HydrophobicContact CB-CD1 3.83Å; D241-I244 HydrophobicContact CB-CG1 4.16Å; D241-I244 PolarHBondContact O-N 3.32Å; D241-I244 PolarHBondContact OD1-N 3.04Å; D241-I244 WeakPolarHBondContact OD2-CD1 3.19Å; D241-Y245 WeakPolarHBondContact O-CB 3.46Å; D241-Y245 PolarHBondContact O-N 3.17Å
242P96Very high95Very high92 Ų9247.8 Ų47.860%0.59727%0.267SS*.Hα-helixtrans-57.1-31.9178.2-25.334.5000114.1Y245 E246P242-Y245 PolarHBondContact O-N 3.42Å; P242-E246 WeakPolarHBondContact O-CB 3.26Å; P242-E246 VanDerWaalsContact O-CG 3.27Å; P242-E246 WeakPolarHBondContact O-CG 3.37Å; P242-E246 PolarHBondContact O-N 3.41Å
243T95.1Very high95Very high109 Ų10949.1 Ų49.167%0.66927%0.273SS*.Hα-helixtrans-67.8-48.3-176.9-48.20000110.7D241 Y245 E246 S247D241-T243 PolarHBondContact O-N 3.07Å; D241-T243 WeakPolarHBondContact OD1-CA 3.45Å; D241-T243 WeakPolarHBondContact OD1-CB 3.48Å; D241-T243 PolarHBondContact OD1-N 3.45Å; D241-T243 PolarHBondContact OD1-OG1 3.27Å; T243-Y245 VanDerWaalsContact C-N 3.34Å; T243-E246 PolarHBondContact O-N 3.14Å; T243-S247 PolarHBondContact O-N 3.16Å; T243-S247 VanDerWaalsContact O-N 3.07Å
244I94.3Very high95Very high9 Ų949.2 Ų49.25%0.04627%0.273CS..Hα-helixtrans-66-42.3177.6-59.7169000109.6A217 V220 K221 I224 V238 D241 E246 S247 L248A217-I244 HydrophobicContact CB-CD1 4.06Å; A217-I244 VanDerWaalsContact O-CD1 3.22Å; A217-I244 WeakPolarHBondContact O-CD1 3.35Å; V220-I244 HydrophobicContact CG1-CG2 4.29Å; K221-I244 HydrophobicContact CB-CD1 3.45Å; K221-I244 VanDerWaalsContact CB-CD1 3.45Å; K221-I244 HydrophobicContact CB-CG1 4.23Å; K221-I244 HydrophobicContact CD-CD1 4.13Å; K221-I244 HydrophobicContact CD-CG1 4.46Å; K221-I244 HydrophobicContact CG-CD1 3.83Å; K221-I244 HydrophobicContact CG-CG1 4.13Å; I224-I244 HydrophobicContact CD1-CG2 4.2Å; V238-I244 HydrophobicContact CB-CG2 4.45Å; V238-I244 HydrophobicContact CG1-CG2 4.16Å; D241-I244 HydrophobicContact CB-CB 4.32Å; D241-I244 HydrophobicContact CB-CD1 3.83Å; D241-I244 HydrophobicContact CB-CG1 4.16Å; D241-I244 PolarHBondContact O-N 3.32Å; D241-I244 PolarHBondContact OD1-N 3.04Å; D241-I244 WeakPolarHBondContact OD2-CD1 3.19Å; I244-E246 PolarHBondContact O-N 3.35Å; I244-S247 WeakPolarHBondContact O-CA 3.26Å; I244-S247 VanDerWaalsContact O-CB 3.24Å; I244-S247 WeakPolarHBondContact O-CB 3.5Å; I244-S247 PolarHBondContact O-N 3.49Å; I244-S247 VanDerWaalsContact O-N 3.08Å; I244-L248 PolarHBondContact O-N 3.25Å
245Y96.6Very high95Very high11 Ų1149.2 Ų49.24%0.04327%0.273CS..Hα-helixtrans-63.3-40.3179.1-171.3-124.5000112.9V238 L239 D241 P242 T243 S247 L248 K249 F280 D283 I285V238-Y245 HydrophobicContact CG2-CD2 3.93Å; L239-Y245 HydrophobicContact CD2-CD1 4.06Å; L239-Y245 HydrophobicContact CD2-CD2 3.92Å; L239-Y245 HydrophobicContact CD2-CE1 3.81Å; L239-Y245 HydrophobicContact CD2-CE2 3.71Å; L239-Y245 HydrophobicContact CD2-CG 4.11Å; D241-Y245 WeakPolarHBondContact O-CB 3.46Å; D241-Y245 PolarHBondContact O-N 3.17Å; P242-Y245 PolarHBondContact O-N 3.42Å; T243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-S247 VanDerWaalsContact C-N 3.29Å; Y245-S247 PolarHBondContact O-N 3.27Å; Y245-L248 PolarHBondContact O-N 2.88Å; Y245-K249 PolarHBondContact O-N 3.31Å; Y245-K249 VanDerWaalsContact O-N 3.14Å; Y245-F280 HydrophobicContact CD2-CE1 4.32Å; Y245-F280 AromaticContact CE2-CD1 3.68Å; Y245-F280 HydrophobicContact CE2-CD1 3.68Å; Y245-F280 AromaticContact CE2-CE1 3.64Å; Y245-F280 HydrophobicContact CE2-CE1 3.64Å; Y245-D283 WeakPolarHBondContact CE1-OD2 3.21Å; Y245-D283 WeakPolarHBondContact OH-CB 3.45Å; Y245-D283 PolarHBondContact OH-OD2 3.37Å; Y245-I285 HydrophobicContact CE2-CD1 3.82Å; Y245-I285 HydrophobicContact CE2-CG1 3.9Å
246E95.7Very high95.1Very high90 Ų9049.2 Ų49.242%0.42127%0.273SS..Hα-helixtrans-66.3-30.5172.8-72.7-55.6135.600112.5P242 T243 I244 K249 K250P242-E246 WeakPolarHBondContact O-CB 3.26Å; P242-E246 VanDerWaalsContact O-CG 3.27Å; P242-E246 WeakPolarHBondContact O-CG 3.37Å; P242-E246 PolarHBondContact O-N 3.41Å; T243-E246 PolarHBondContact O-N 3.14Å; I244-E246 PolarHBondContact O-N 3.35Å; E246-K249 PolarHBondContact O-N 2.84Å; E246-K249 WeakPolarHBondContact OE1-CE 3.48Å; E246-K249 IonicContact OE1-NZ 3.32Å; E246-K249 PolarHBondContact OE1-NZ 2.83Å; E246-K249 IonicContact OE2-NZ 3.42Å; E246-K250 WeakPolarHBondContact O-CG 3.41Å; E246-K250 PolarHBondContact O-N 3.31Å
247S92.9Very high95.2Very high51 Ų5148.9 Ų48.936%0.35727%0.272SS..Hα-helixtrans-61.8-48.2170.2-165.30000111.1T243 I244 Y245 K249 K250 G251T243-S247 PolarHBondContact O-N 3.16Å; T243-S247 VanDerWaalsContact O-N 3.07Å; I244-S247 WeakPolarHBondContact O-CA 3.26Å; I244-S247 VanDerWaalsContact O-CB 3.24Å; I244-S247 WeakPolarHBondContact O-CB 3.5Å; I244-S247 PolarHBondContact O-N 3.49Å; I244-S247 VanDerWaalsContact O-N 3.08Å; Y245-S247 VanDerWaalsContact C-N 3.29Å; Y245-S247 PolarHBondContact O-N 3.27Å; S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact O-N 3.49Å; S247-K250 WeakPolarHBondContact O-CB 3.43Å; S247-K250 PolarHBondContact O-N 2.59Å; S247-G251 PolarHBondContact O-N 2.93Å
248L94.1Very high95.3Very high3 Ų345.9 Ų45.92%0.01626%0.261CS..Hα-helixtrans-60.3-33.8178.3-67.9-179.5000113.5I224 I232 V238 I244 Y245 K250 G251 Q253 L255 I285I224-L248 HydrophobicContact CD1-CD2 4.31Å; I232-L248 HydrophobicContact CD1-CD2 4.43Å; V238-L248 HydrophobicContact CB-CD1 3.96Å; V238-L248 HydrophobicContact CG1-CD1 3.85Å; V238-L248 HydrophobicContact CG2-CD1 3.76Å; I244-L248 PolarHBondContact O-N 3.25Å; Y245-L248 PolarHBondContact O-N 2.88Å; L248-K250 VanDerWaalsContact C-N 3.29Å; L248-K250 PolarHBondContact O-N 3.45Å; L248-G251 PolarHBondContact O-N 2.9Å; L248-G251 VanDerWaalsContact O-N 3.09Å; L248-Q253 HydrophobicContact CD2-CB 3.64Å; L248-Q253 HydrophobicContact CD2-CG 4.44Å; L248-L255 HydrophobicContact CD1-CD1 4.17Å; L248-L255 HydrophobicContact CD1-CD2 4.07Å; L248-L255 HydrophobicContact CD1-CG 4.45Å; L248-L255 HydrophobicContact CD2-CD2 4.48Å; L248-I285 HydrophobicContact CB-CD1 4.13Å
249K95.3Very high95.4Very high68 Ų6845.9 Ų45.930%0.29626%0.261SS..Hα-helixtrans-65.7-31.5174.9-71.3-179.8-171175.10113.3Y245 E246 S247 G251 D283 I285Y245-K249 PolarHBondContact O-N 3.31Å; Y245-K249 VanDerWaalsContact O-N 3.14Å; E246-K249 PolarHBondContact O-N 2.84Å; E246-K249 WeakPolarHBondContact OE1-CE 3.48Å; E246-K249 IonicContact OE1-NZ 3.32Å; E246-K249 PolarHBondContact OE1-NZ 2.83Å; E246-K249 IonicContact OE2-NZ 3.42Å; S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact O-N 3.49Å; K249-G251 PolarHBondContact O-N 2.87Å; K249-D283 WeakPolarHBondContact CE-OD2 3.3Å; K249-D283 IonicContact NZ-OD2 2.78Å; K249-D283 PolarHBondContact NZ-OD2 2.89Å; K249-D283 VanDerWaalsContact NZ-OD2 3.13Å; K249-I285 HydrophobicContact CB-CD1 4.27Å; K249-I285 HydrophobicContact CG-CD1 3.5Å
250K93.3Very high95.5Very high183 Ų18344.3 Ų44.380%0.79625%0.253SS*.Hα-helixtrans-72.4-12.7174.7-64.6171.5-174.9175.10111.9E246 S247 L248E246-K250 WeakPolarHBondContact O-CG 3.41Å; E246-K250 PolarHBondContact O-N 3.31Å; S247-K250 WeakPolarHBondContact O-CB 3.43Å; S247-K250 PolarHBondContact O-N 2.59Å; L248-K250 VanDerWaalsContact C-N 3.29Å; L248-K250 PolarHBondContact O-N 3.45Å
251G88.9Confident95.6Very high31 Ų3138.6 Ų38.632%0.3223%0.226SC..  trans94.1-166.8-177.800000112.1S247 L248 K249S247-G251 PolarHBondContact O-N 2.93Å; L248-G251 PolarHBondContact O-N 2.9Å; L248-G251 VanDerWaalsContact O-N 3.09Å; K249-G251 PolarHBondContact O-N 2.87Å
252G86.2Confident95.7Very high67 Ų6737.1 Ų37.169%0.69122%0.218SC*.SBendtrans102.2-39-178.600000113.5
253Q96.7Very high95.7Very high29 Ų2933 Ų3314%0.13619%0.191CC..  trans-116.6153.9176.4-77.170.436.600112.5I224 V229 E230 I232 L248 N286I224-Q253 HydrophobicContact CD1-CG 4.38Å; I224-Q253 HydrophobicContact CG1-CG 4.12Å; V229-Q253 PolarHBondContact O-NE2 3.42Å; E230-Q253 WeakPolarHBondContact O-CA 3.48Å; I232-Q253 HydrophobicContact CD1-CB 4.3Å; I232-Q253 HydrophobicContact CD1-CG 4.25Å; L248-Q253 HydrophobicContact CD2-CB 3.64Å; L248-Q253 HydrophobicContact CD2-CG 4.44Å; Q253-N286 PolarHBondContact O-ND2 3.09Å
254H98.7Very high95.7Very high1 Ų128 Ų281%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-112.5134.4170.6-176.792.6000110.5E230 R231 I232 N286 F287 S288 S329E230-H254 PolarHBondContact O-N 3.07Å; E230-H254 VanDerWaalsContact O-N 3.14Å; R231-H254 CarbonylContact C-O 3.52Å; R231-H254 VanDerWaalsContact CA-O 3.25Å; R231-H254 WeakPolarHBondContact CA-O 3.44Å; R231-H254 HydrophobicContact CB-CB 4.36Å; R231-H254 HydrophobicContact CG-CB 3.95Å; I232-H254 PolarHBondContact N-O 3.25Å; H254-N286 WeakPolarHBondContact CA-O 3.34Å; H254-N286 WeakPolarHBondContact CB-ND2 3.29Å; H254-N286 VanDerWaalsContact ND1-CG 3.3Å; H254-N286 PolarHBondContact ND1-ND2 3.23Å; H254-N286 PolarHBondContact ND1-OD1 3.16Å; H254-F287 PolarHBondContact CE1-O 3.44Å; H254-S288 PolarHBondContact CE1-N 3.21Å; H254-S288 VanDerWaalsContact CE1-N 3.33Å; H254-S288 WeakPolarHBondContact NE2-CB 3.47Å; H254-S288 PolarHBondContact NE2-N 3.23Å; H254-S288 VanDerWaalsContact NE2-N 3.15Å; H254-S288 PolarHBondContact NE2-OG 2.93Å; H254-S329 WeakPolarHBondContact CB-OG 3.44Å; H254-S329 VanDerWaalsContact CG-CB 3.42Å; H254-S329 VanDerWaalsContact ND1-CB 3.3Å; H254-S329 WeakPolarHBondContact ND1-CB 3.4Å; H254-S329 PolarHBondContact ND1-OG 3.18Å; H254-S329 VanDerWaalsContact ND1-OG 3.13Å
255L98.7Very high95.7Very high0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-93.7125.5173-56.3-172.3000111I232 L248 L257 F280 I285 N286 F287 S288I232-L255 HydrophobicContact CB-CD2 3.88Å; I232-L255 HydrophobicContact CD1-CD2 3.98Å; I232-L255 HydrophobicContact CG2-CD2 4.34Å; I232-L255 WeakPolarHBondContact O-CA 2.86Å; L248-L255 HydrophobicContact CD1-CD1 4.17Å; L248-L255 HydrophobicContact CD1-CD2 4.07Å; L248-L255 HydrophobicContact CD1-CG 4.45Å; L248-L255 HydrophobicContact CD2-CD2 4.48Å; L255-L257 HydrophobicContact CB-CD2 3.73Å; L255-L257 HydrophobicContact CB-CG 4.5Å; L255-L257 HydrophobicContact CD1-CD2 4.37Å; L255-L257 PolarHBondContact O-N 3.49Å; L255-F280 HydrophobicContact CD1-CD2 3.93Å; L255-F280 HydrophobicContact CD1-CE1 4.35Å; L255-F280 HydrophobicContact CD1-CE2 3.6Å; L255-F280 HydrophobicContact CD1-CG 4.45Å; L255-F280 HydrophobicContact CD1-CZ 3.83Å; L255-I285 HydrophobicContact CD1-CG2 3.96Å; L255-I285 HydrophobicContact CG-CG2 4.2Å; L255-N286 PolarHBondContact N-O 3.31Å; L255-F287 HydrophobicContact CB-CB 4.08Å; L255-F287 CarbonylContact O-C 3.59Å; L255-F287 WeakPolarHBondContact O-CA 3.28Å; L255-F287 WeakPolarHBondContact O-CB 3.48Å; L255-S288 PolarHBondContact O-N 3.19Å
256E98.9Very high95.5Very high0 Ų029.1 Ų29.10%018%0.176CC..EExtended strand (participates in β ladder)trans-92.789.6176.4-51.8165.3171.900108.4H10 R96 T208 R231 I232 H234H10-E256 HydrophobicContact CB-CB 3.74Å; H10-E256 HydrophobicContact CB-CG 4.4Å; H10-E256 IonicContact CE1-OE2 3.32Å; H10-E256 IonicContact CG-OE2 3.81Å; H10-E256 IonicContact ND1-OE2 3.99Å; H10-E256 PolarHBondContact ND1-OE2 3.02Å; R96-E256 IonicContact CZ-OE2 3.93Å; R96-E256 IonicContact NH1-OE2 3.28Å; R96-E256 PolarHBondContact NH1-OE2 3.47Å; R96-E256 IonicContact NH2-OE1 2.72Å; R96-E256 PolarHBondContact NH2-OE1 2.89Å; R96-E256 IonicContact NH2-OE2 3.13Å; R96-E256 PolarHBondContact NH2-OE2 2.79Å; T208-E256 PolarHBondContact OG1-OE1 2.87Å; T208-E256 PolarHBondContact OG1-OE2 3.39Å; R231-E256 HydrophobicContact CB-CG 4.31Å; R231-E256 WeakPolarHBondContact CB-OE1 3.46Å; R231-E256 IonicContact CZ-OE1 3.82Å; R231-E256 VanDerWaalsContact CZ-OE1 3.26Å; R231-E256 IonicContact NE-OE1 3.44Å; R231-E256 PolarHBondContact NE-OE1 3.19Å; R231-E256 IonicContact NH2-OE1 3.92Å; R231-E256 PolarHBondContact NH2-OE1 3.2Å; R231-E256 VanDerWaalsContact NH2-OE1 3.09Å; I232-E256 PolarHBondContact O-N 2.97Å; H234-E256 WeakPolarHBondContact CA-O 3.49Å; H234-E256 PolarHBondContact N-O 3.45Å
257L98.9Very high95.4Very high0 Ų025.5 Ų25.50%016%0.161CC..EExtended strand (participates in β ladder)trans-81.7138-175-45.9-179.2000110.3H234 Y236 L255 A277 F280 F287 S288 I289 N290H234-L257 WeakPolarHBondContact O-CD2 3.32Å; Y236-L257 HydrophobicContact CD1-CD2 4.33Å; Y236-L257 HydrophobicContact CE1-CB 4.28Å; Y236-L257 HydrophobicContact CE1-CD2 3.77Å; Y236-L257 HydrophobicContact CE1-CG 4.48Å; L255-L257 HydrophobicContact CB-CD2 3.73Å; L255-L257 HydrophobicContact CB-CG 4.5Å; L255-L257 HydrophobicContact CD1-CD2 4.37Å; L255-L257 PolarHBondContact O-N 3.49Å; L257-A277 HydrophobicContact CD1-CB 3.85Å; L257-F280 HydrophobicContact CD1-CD2 3.91Å; L257-F280 HydrophobicContact CD2-CD2 3.86Å; L257-F280 HydrophobicContact CD2-CE2 3.84Å; L257-F287 HydrophobicContact CD1-CB 3.92Å; L257-F287 HydrophobicContact CD1-CD1 4.42Å; L257-F287 HydrophobicContact CD1-CD2 3.45Å; L257-F287 VanDerWaalsContact CD1-CD2 3.45Å; L257-F287 HydrophobicContact CD1-CE2 4.07Å; L257-F287 HydrophobicContact CD1-CG 3.68Å; L257-F287 HydrophobicContact CG-CB 3.96Å; L257-F287 HydrophobicContact CG-CD2 4.07Å; L257-F287 HydrophobicContact CG-CG 4.24Å; L257-S288 VanDerWaalsContact CB-O 3.23Å; L257-S288 WeakPolarHBondContact CB-O 3.31Å; L257-S288 WeakPolarHBondContact CG-O 3.21Å; L257-S288 PolarHBondContact N-O 3.33Å; L257-I289 HydrophobicContact CB-CD1 4.39Å; L257-I289 HydrophobicContact CD1-CD1 4.48Å; L257-I289 CarbonylContact O-C 3.53Å; L257-I289 WeakPolarHBondContact O-CA 3.35Å; L257-N290 PolarHBondContact N-ND2 2.75Å; L257-N290 PolarHBondContact O-N 3.45Å; L257-N290 PolarHBondContact O-ND2 3.07Å
258C98.6Very high95.6Very high0 Ų023.7 Ų23.70%015%0.148CC..  trans-123.577.7173.4-51.30000109.4Y236 L260 S261 S262 N290 D292Y236-C258 WeakPolarHBondContact OH-CA 3.15Å; Y236-C258 PolarHBondContact OH-N 2.89Å; Y236-C258 PolarHBondContact OH-O 3.03Å; C258-L260 PolarHBondContact O-N 3.49Å; C258-S261 WeakPolarHBondContact O-CB 3.29Å; C258-S261 PolarHBondContact O-N 3.29Å; C258-S262 WeakPolarHBondContact O-CB 3.25Å; C258-S262 PolarHBondContact O-N 3.4Å; C258-N290 WeakPolarHBondContact CA-O 3.48Å; C258-D292 HydrophobicContact CB-CB 3.87Å
259P98.2Very high95.6Very high0 Ų030.7 Ų30.70%018%0.18CC..Hα-helixtrans-52.5-52-168.5-28.535.1000115.3S262 W272 I289 E304 L307 L312P259-S262 PolarHBondContact O-N 2.87Å; P259-S262 PolarHBondContact O-OG 2.69Å; P259-W272 HydrophobicContact CB-CZ3 4.22Å; P259-I289 HydrophobicContact CG-CD1 4Å; P259-I289 HydrophobicContact CG-CG2 4.27Å; P259-E304 WeakPolarHBondContact CD-OE2 3.49Å; P259-L307 HydrophobicContact CB-CD2 3.74Å; P259-L312 HydrophobicContact CB-CD1 4.33Å; P259-L312 HydrophobicContact CG-CD1 4.37Å
260L97.6Very high95.5Very high35 Ų3532 Ų3218%0.18319%0.191CC..Hα-helixtrans-63.1-49.4177.6-18062.5000111.5C258 S262 V263 V264 L297 N299 E304 L307C258-L260 PolarHBondContact O-N 3.49Å; L260-S262 VanDerWaalsContact C-N 3.25Å; L260-S262 PolarHBondContact O-N 2.85Å; L260-V263 PolarHBondContact O-N 3.04Å; L260-V263 VanDerWaalsContact O-N 3.12Å; L260-V264 HydrophobicContact CD1-CG2 3.99Å; L260-V264 HydrophobicContact CG-CG2 4.2Å; L260-V264 WeakPolarHBondContact O-CG2 3.38Å; L260-V264 PolarHBondContact O-N 2.99Å; L260-L297 HydrophobicContact CD2-CB 4.17Å; L260-N299 HydrophobicContact CD2-CB 3.71Å; L260-E304 WeakPolarHBondContact CB-OE1 3.28Å; L260-E304 PolarHBondContact N-OE2 3.04Å; L260-L307 HydrophobicContact CB-CD1 4.02Å; L260-L307 HydrophobicContact CD1-CD1 4.14Å
261S97.4Very high95.7Very high0 Ų026 Ų260%017%0.167CC..Hα-helixtrans-50.8-48.7177.9177.20000110.8C258 V263 V264 T265 D292C258-S261 WeakPolarHBondContact O-CB 3.29Å; C258-S261 PolarHBondContact O-N 3.29Å; S261-V263 PolarHBondContact O-N 2.64Å; S261-V263 VanDerWaalsContact O-N 3.11Å; S261-V264 PolarHBondContact O-N 3.46Å; S261-T265 WeakPolarHBondContact O-CG2 3.15Å; S261-T265 PolarHBondContact O-N 3.44Å; S261-T265 PolarHBondContact O-OG1 3.45Å; S261-T265 VanDerWaalsContact O-OG1 3.12Å; S261-D292 VanDerWaalsContact CB-OD2 3.25Å; S261-D292 WeakPolarHBondContact CB-OD2 3.37Å; S261-D292 PolarHBondContact OG-OD2 2.86Å
262S97.1Very high96Very high0 Ų026.6 Ų26.60%016%0.16CC..Hα-helixtrans-58.4-32.9-176.578.70000114.3Y236 C258 P259 L260 S267 V268 H275Y236-S262 VanDerWaalsContact CZ-CB 3.45Å; C258-S262 WeakPolarHBondContact O-CB 3.25Å; C258-S262 PolarHBondContact O-N 3.4Å; P259-S262 PolarHBondContact O-N 2.87Å; P259-S262 PolarHBondContact O-OG 2.69Å; L260-S262 VanDerWaalsContact C-N 3.25Å; L260-S262 PolarHBondContact O-N 2.85Å; S262-S267 WeakPolarHBondContact O-CA 3.48Å; S262-S267 WeakPolarHBondContact O-CB 3.21Å; S262-S267 PolarHBondContact O-N 3.27Å; S262-V268 PolarHBondContact O-N 3.15Å; S262-H275 PolarHBondContact OG-NE2 2.96Å
263V96.2Very high96.5Very high6 Ų626.8 Ų26.84%0.03616%0.155CC..Hα-helixtrans-80.8-41.5176.6174.30000110.6P50 L260 S261 G266 N270 W272P50-V263 WeakPolarHBondContact CB-O 3.5Å; P50-V263 HydrophobicContact CG-CG1 4.14Å; L260-V263 PolarHBondContact O-N 3.04Å; L260-V263 VanDerWaalsContact O-N 3.12Å; S261-V263 PolarHBondContact O-N 2.64Å; S261-V263 VanDerWaalsContact O-N 3.11Å; V263-G266 PolarHBondContact O-N 2.91Å; V263-N270 HydrophobicContact CG1-CB 3.81Å; V263-W272 HydrophobicContact CB-CH2 4.27Å; V263-W272 HydrophobicContact CB-CZ2 4.12Å; V263-W272 HydrophobicContact CG1-CZ2 4.33Å; V263-W272 HydrophobicContact CG2-CH2 3.64Å; V263-W272 HydrophobicContact CG2-CZ2 3.71Å; V263-W272 HydrophobicContact CG2-CZ3 4.1Å
264V95.4Very high96.5Very high3 Ų333 Ų332%0.01818%0.182CC..Hα-helixtrans-68-38.3-179.9175.40000111.8A51 L260 S261 G266 L297A51-V264 PolarHBondContact N-O 3.28Å; L260-V264 HydrophobicContact CD1-CG2 3.99Å; L260-V264 HydrophobicContact CG-CG2 4.2Å; L260-V264 WeakPolarHBondContact O-CG2 3.38Å; L260-V264 PolarHBondContact O-N 2.99Å; S261-V264 PolarHBondContact O-N 3.46Å; V264-G266 PolarHBondContact O-N 3.01Å; V264-L297 HydrophobicContact CB-CD2 3.79Å; V264-L297 HydrophobicContact CG1-CD2 3.76Å; V264-L297 HydrophobicContact CG2-CD2 3.98Å
265T94.5Very high96.5Very high7 Ų733 Ų334%0.04318%0.182CC..THydrogen-bonded Turntrans-78.6-5.6177.364.70000113.3S52 L53 M56 E213 S261 S267S52-T265 CarbonylContact C-O 3.38Å; S52-T265 VanDerWaalsContact CA-O 3.32Å; S52-T265 WeakPolarHBondContact CA-O 3.25Å; L53-T265 HydrophobicContact CD1-CG2 4.31Å; L53-T265 PolarHBondContact N-O 3.35Å; L53-T265 VanDerWaalsContact N-O 3.08Å; M56-T265 HydrophobicContact CB-CG2 4.45Å; M56-T265 HydrophobicContact CE-CG2 3.53Å; M56-T265 HydrophobicContact SD-CG2 3.48Å; M56-T265 WeakPolarHBondContact SD-CG2 3.15Å; E213-T265 PolarHBondContact OE1-OG1 3.05Å; S261-T265 WeakPolarHBondContact O-CG2 3.15Å; S261-T265 PolarHBondContact O-N 3.44Å; S261-T265 PolarHBondContact O-OG1 3.45Å; S261-T265 VanDerWaalsContact O-OG1 3.12Å; T265-S267 PolarHBondContact O-N 3.33Å
266G93Very high96.5Very high37 Ų3733.7 Ų33.738%0.38119%0.186SC..THydrogen-bonded Turntrans7114-175.200000113.5V263 V264 V268V263-G266 PolarHBondContact O-N 2.91Å; V264-G266 PolarHBondContact O-N 3.01Å; G266-V268 VanDerWaalsContact C-N 3.28Å
267S93.9Very high96.5Very high15 Ų1533.7 Ų33.711%0.10519%0.186CC..SBendtrans-62.4-39.3173.3-175.60000111.8E213 S262 T265E213-S267 VanDerWaalsContact CA-OG 3.25Å; E213-S267 WeakPolarHBondContact CA-OG 3.48Å; E213-S267 WeakPolarHBondContact O-CB 3.35Å; E213-S267 PolarHBondContact O-OG 2.99Å; S262-S267 WeakPolarHBondContact O-CA 3.48Å; S262-S267 WeakPolarHBondContact O-CB 3.21Å; S262-S267 PolarHBondContact O-N 3.27Å; T265-S267 PolarHBondContact O-N 3.33Å
268V95.5Very high96.4Very high13 Ų1336.4 Ų36.48%0.07920%0.198CC..SBendtrans-121.6140.4176.9177.60000108.6Y236 S262 G266 P276Y236-V268 HydrophobicContact CD1-CG2 3.92Å; Y236-V268 HydrophobicContact CD2-CG2 3.79Å; Y236-V268 HydrophobicContact CE1-CG2 4.46Å; Y236-V268 HydrophobicContact CE2-CG2 4.39Å; Y236-V268 HydrophobicContact CG-CG2 3.53Å; S262-V268 PolarHBondContact O-N 3.15Å; G266-V268 VanDerWaalsContact C-N 3.28Å; V268-P276 VanDerWaalsContact CG1-CD 3.46Å; V268-P276 HydrophobicContact CG1-CG 4.26Å; V268-P276 HydrophobicContact CG2-CG 4.05Å
269E94.1Very high96.4Very high149 Ų14942 Ų4270%0.69622%0.219SC*.  trans-56.4146.3174-64.7178.9-179.200111.2N271E269-N271 PolarHBondContact O-N 2.86Å
270N94.7Very high96.4Very high96 Ų9642 Ų4251%0.51322%0.219SC..SBendtrans-72.264.1173.2-169.44.5000111.6P50 V263P50-N270 HydrophobicContact CG-CB 3.71Å; V263-N270 HydrophobicContact CG1-CB 3.81Å
271N96Very high96.4Very high58 Ų5841.2 Ų41.231%0.3122%0.215SC..  trans-141.784.5177.7-172.2-19.8000109.6E269 A273 K274 H275E269-N271 PolarHBondContact O-N 2.86Å; N271-A273 PolarHBondContact O-N 3.03Å; N271-A273 VanDerWaalsContact O-N 3.1Å; N271-A273 PolarHBondContact OD1-N 3.29Å; N271-K274 CarbonylContact O-C 3.59Å; N271-K274 PolarHBondContact O-N 3.4Å; N271-H275 PolarHBondContact O-N 2.71Å; N271-H275 VanDerWaalsContact O-N 3.14Å
272W96.7Very high96.4Very high42 Ų4249 Ų4916%0.15925%0.249CC..G310 helixtrans-55.4-29.1-178.9-64.3101.8000114.3P259 V263 K274 H275 L307 K311 L312P259-W272 HydrophobicContact CB-CZ3 4.22Å; V263-W272 HydrophobicContact CB-CH2 4.27Å; V263-W272 HydrophobicContact CB-CZ2 4.12Å; V263-W272 HydrophobicContact CG1-CZ2 4.33Å; V263-W272 HydrophobicContact CG2-CH2 3.64Å; V263-W272 HydrophobicContact CG2-CZ2 3.71Å; V263-W272 HydrophobicContact CG2-CZ3 4.1Å; W272-K274 VanDerWaalsContact C-N 3.25Å; W272-K274 PolarHBondContact O-N 2.89Å; W272-H275 AromaticContact CE3-CD2 3.99Å; W272-H275 AromaticContact CZ3-CD2 3.84Å; W272-H275 WeakPolarHBondContact O-CB 3.49Å; W272-H275 PolarHBondContact O-N 2.84Å; W272-L307 HydrophobicContact CE3-CD2 4.36Å; W272-L307 HydrophobicContact CH2-CD1 3.82Å; W272-L307 HydrophobicContact CH2-CD2 3.76Å; W272-L307 HydrophobicContact CH2-CG 4.17Å; W272-L307 HydrophobicContact CZ2-CD1 4.16Å; W272-L307 HydrophobicContact CZ3-CD1 4.49Å; W272-L307 HydrophobicContact CZ3-CD2 3.59Å; W272-L307 HydrophobicContact CZ3-CG 4.37Å; W272-K311 HydrophobicContact CB-CB 3.97Å; W272-K311 HydrophobicContact CD2-CB 3.7Å; W272-K311 HydrophobicContact CD2-CG 4.19Å; W272-K311 HydrophobicContact CE3-CB 3.85Å; W272-K311 HydrophobicContact CG-CB 3.77Å; W272-K311 HydrophobicContact CG-CD 4.36Å; W272-K311 HydrophobicContact CG-CG 4.28Å; W272-L312 HydrophobicContact CE3-CD2 3.74Å; W272-L312 HydrophobicContact CE3-CG 4.3Å; W272-L312 HydrophobicContact CZ3-CD2 4.27Å
273A96.5Very high96.4Very high72 Ų7250.8 Ų50.860%0.59526%0.259SS*.G310 helixtrans-67.6-26.5177.400000112.9N271N271-A273 PolarHBondContact O-N 3.03Å; N271-A273 VanDerWaalsContact O-N 3.1Å; N271-A273 PolarHBondContact OD1-N 3.29Å
274K96.7Very high96.5Very high159 Ų15956.7 Ų56.769%0.69128%0.28SS*.G310 helixtrans-108.25.2179.3-64.9-174.3-178.8177.70113.5N271 W272N271-K274 CarbonylContact O-C 3.59Å; N271-K274 PolarHBondContact O-N 3.4Å; W272-K274 VanDerWaalsContact C-N 3.25Å; W272-K274 PolarHBondContact O-N 2.89Å
275H98.2Very high96.6Very high1 Ų156.6 Ų56.61%0.00528%0.28CS..  trans-56.6132.4-176.3-171.1-76.3000111.5Y236 S262 N271 W272 A277 K278 L312Y236-H275 AromaticContact CE1-CE1 3.89Å; S262-H275 PolarHBondContact OG-NE2 2.96Å; N271-H275 PolarHBondContact O-N 2.71Å; N271-H275 VanDerWaalsContact O-N 3.14Å; W272-H275 AromaticContact CE3-CD2 3.99Å; W272-H275 AromaticContact CZ3-CD2 3.84Å; W272-H275 WeakPolarHBondContact O-CB 3.49Å; W272-H275 PolarHBondContact O-N 2.84Å; H275-A277 VanDerWaalsContact ND1-CB 3.28Å; H275-A277 WeakPolarHBondContact ND1-CB 3.38Å; H275-A277 PolarHBondContact ND1-N 3.12Å; H275-A277 VanDerWaalsContact ND1-N 3.19Å; H275-A277 PolarHBondContact O-N 3.04Å; H275-A277 VanDerWaalsContact O-N 3.09Å; H275-K278 PolarHBondContact O-N 3.11Å; H275-L312 HydrophobicContact CB-CD2 3.48Å; H275-L312 VanDerWaalsContact CB-CD2 3.48Å
276P98Very high96.8Very high15 Ų1558 Ų5810%0.09729%0.287CS..Hα-helixtrans-53.4-34-174.4-31.837.9000115Y236 L239 V268 K278 R279 F280Y236-P276 HydrophobicContact CD1-CB 4Å; Y236-P276 HydrophobicContact CD1-CG 4.22Å; L239-P276 HydrophobicContact CD1-CB 3.64Å; L239-P276 HydrophobicContact CD1-CG 4.06Å; V268-P276 VanDerWaalsContact CG1-CD 3.46Å; V268-P276 HydrophobicContact CG1-CG 4.26Å; V268-P276 HydrophobicContact CG2-CG 4.05Å; P276-K278 PolarHBondContact O-N 2.96Å; P276-K278 VanDerWaalsContact O-N 3.12Å; P276-R279 WeakPolarHBondContact O-CA 3.47Å; P276-R279 WeakPolarHBondContact O-CB 3.47Å; P276-R279 PolarHBondContact O-N 3.37Å; P276-F280 HydrophobicContact CB-CE1 4.42Å; P276-F280 HydrophobicContact CB-CE2 3.95Å; P276-F280 HydrophobicContact CB-CZ 3.9Å; P276-F280 WeakPolarHBondContact O-CG 3.47Å; P276-F280 PolarHBondContact O-N 3.46Å
277A98.5Very high97.1Very high0 Ų056.2 Ų56.20%027%0.269CS..Hα-helixtrans-52-34.7175.900000113.4L257 H275 R279 F280 L281 L312 F314L257-A277 HydrophobicContact CD1-CB 3.85Å; H275-A277 VanDerWaalsContact ND1-CB 3.28Å; H275-A277 WeakPolarHBondContact ND1-CB 3.38Å; H275-A277 PolarHBondContact ND1-N 3.12Å; H275-A277 VanDerWaalsContact ND1-N 3.19Å; H275-A277 PolarHBondContact O-N 3.04Å; H275-A277 VanDerWaalsContact O-N 3.09Å; A277-R279 VanDerWaalsContact C-N 3.33Å; A277-R279 PolarHBondContact O-N 3.34Å; A277-F280 PolarHBondContact O-N 2.78Å; A277-L281 WeakPolarHBondContact O-CB 3.28Å; A277-L281 PolarHBondContact O-N 3.36Å; A277-L312 HydrophobicContact CB-CD1 3.92Å; A277-F314 HydrophobicContact CB-CZ 4.07Å
278K98.3Very high97.3Very high57 Ų5755.6 Ų55.625%0.24826%0.264CS..Hα-helixtrans-65.1-39175.8-60.5-171.674.1161.80111.6H275 P276 K282 L312H275-K278 PolarHBondContact O-N 3.11Å; P276-K278 PolarHBondContact O-N 2.96Å; P276-K278 VanDerWaalsContact O-N 3.12Å; K278-K282 WeakPolarHBondContact O-CB 3.31Å; K278-K282 PolarHBondContact O-N 2.59Å; K278-L312 VanDerWaalsContact CE-O 3.22Å; K278-L312 WeakPolarHBondContact CE-O 3.11Å; K278-L312 HydrophobicContact CG-CB 4.33Å; K278-L312 HydrophobicContact CG-CD2 4.14Å
279R97.8Very high97.5Very high116 Ų11655.1 Ų55.144%0.43826%0.261SS..Hα-helixtrans-71-42177-176.658.6-170.5-103.72111.2L239 P276 A277 L281 K282 D283L239-R279 HydrophobicContact CD1-CB 4.45Å; L239-R279 HydrophobicContact CD2-CG 4.04Å; P276-R279 WeakPolarHBondContact O-CA 3.47Å; P276-R279 WeakPolarHBondContact O-CB 3.47Å; P276-R279 PolarHBondContact O-N 3.37Å; A277-R279 VanDerWaalsContact C-N 3.33Å; A277-R279 PolarHBondContact O-N 3.34Å; R279-L281 VanDerWaalsContact C-N 3.33Å; R279-L281 PolarHBondContact O-N 2.84Å; R279-K282 PolarHBondContact O-N 2.73Å; R279-D283 IonicContact CZ-OD1 3.54Å; R279-D283 IonicContact CZ-OD2 2.6Å; R279-D283 VanDerWaalsContact CZ-OD2 3.29Å; R279-D283 VanDerWaalsContact NE-CG 3.26Å; R279-D283 IonicContact NE-OD1 3.59Å; R279-D283 PolarHBondContact NE-OD1 3.04Å; R279-D283 IonicContact NE-OD2 2.95Å; R279-D283 PolarHBondContact NE-OD2 3.29Å; R279-D283 IonicContact NH2-OD1 3.97Å; R279-D283 IonicContact NH2-OD2 3.29Å; R279-D283 PolarHBondContact NH2-OD2 3.39Å; R279-D283 PolarHBondContact O-N 3.21Å
280F98.4Very high97.7Very high0 Ų048 Ų480%023%0.228CC..Hα-helixtrans-59-43.1175.3-62-17.6000112.1Y236 V238 L239 Y245 L255 L257 P276 A277 R284 I285 F287Y236-F280 HydrophobicContact CD1-CE2 4.15Å; V238-F280 HydrophobicContact CG2-CE1 3.89Å; V238-F280 HydrophobicContact CG2-CZ 3.8Å; L239-F280 HydrophobicContact CD1-CE1 4.18Å; L239-F280 HydrophobicContact CD2-CD1 4.45Å; L239-F280 HydrophobicContact CD2-CE1 3.82Å; L239-F280 HydrophobicContact CG-CE1 3.79Å; L239-F280 HydrophobicContact CG-CZ 4.31Å; Y245-F280 HydrophobicContact CD2-CE1 4.32Å; Y245-F280 AromaticContact CE2-CD1 3.68Å; Y245-F280 HydrophobicContact CE2-CD1 3.68Å; Y245-F280 AromaticContact CE2-CE1 3.64Å; Y245-F280 HydrophobicContact CE2-CE1 3.64Å; L255-F280 HydrophobicContact CD1-CD2 3.93Å; L255-F280 HydrophobicContact CD1-CE1 4.35Å; L255-F280 HydrophobicContact CD1-CE2 3.6Å; L255-F280 HydrophobicContact CD1-CG 4.45Å; L255-F280 HydrophobicContact CD1-CZ 3.83Å; L257-F280 HydrophobicContact CD1-CD2 3.91Å; L257-F280 HydrophobicContact CD2-CD2 3.86Å; L257-F280 HydrophobicContact CD2-CE2 3.84Å; P276-F280 HydrophobicContact CB-CE1 4.42Å; P276-F280 HydrophobicContact CB-CE2 3.95Å; P276-F280 HydrophobicContact CB-CZ 3.9Å; P276-F280 WeakPolarHBondContact O-CG 3.47Å; P276-F280 PolarHBondContact O-N 3.46Å; A277-F280 PolarHBondContact O-N 2.78Å; F280-R284 PolarHBondContact O-N 3.27Å; F280-R284 VanDerWaalsContact O-N 3.08Å; F280-I285 HydrophobicContact CB-CB 3.96Å; F280-I285 HydrophobicContact CB-CG1 4.14Å; F280-I285 HydrophobicContact CB-CG2 4.47Å; F280-I285 HydrophobicContact CD1-CG1 4.17Å; F280-I285 HydrophobicContact CG-CB 4.49Å; F280-I285 HydrophobicContact CG-CG1 4.44Å; F280-I285 PolarHBondContact O-N 2.9Å; F280-F287 HydrophobicContact CB-CD1 4.13Å; F280-F287 HydrophobicContact CB-CE1 4.37Å
281L98Very high97.9Very high19 Ų1943.6 Ų43.610%0.09920%0.204CC..Hα-helixtrans-63.7-47.7174.317966.4000112.6A277 R279 D283 R284 F287 F314 D318 Y321A277-L281 WeakPolarHBondContact O-CB 3.28Å; A277-L281 PolarHBondContact O-N 3.36Å; R279-L281 VanDerWaalsContact C-N 3.33Å; R279-L281 PolarHBondContact O-N 2.84Å; L281-D283 VanDerWaalsContact C-N 3.27Å; L281-D283 PolarHBondContact O-N 3.36Å; L281-R284 PolarHBondContact O-N 3.31Å; L281-R284 VanDerWaalsContact O-N 3.08Å; L281-F287 HydrophobicContact CB-CE1 4.14Å; L281-F287 HydrophobicContact CB-CZ 4.2Å; L281-F287 HydrophobicContact CD1-CE1 4.33Å; L281-F287 HydrophobicContact CD1-CZ 4.15Å; L281-F314 HydrophobicContact CB-CE1 4.09Å; L281-F314 HydrophobicContact CB-CZ 3.95Å; L281-F314 HydrophobicContact CD2-CD1 3.53Å; L281-F314 HydrophobicContact CD2-CD2 4.44Å; L281-F314 HydrophobicContact CD2-CE1 3.42Å; L281-F314 VanDerWaalsContact CD2-CE1 3.42Å; L281-F314 HydrophobicContact CD2-CE2 4.35Å; L281-F314 HydrophobicContact CD2-CG 4.06Å; L281-F314 HydrophobicContact CD2-CZ 3.86Å; L281-F314 HydrophobicContact CG-CE1 4.38Å; L281-F314 HydrophobicContact CG-CZ 4.45Å; L281-D318 HydrophobicContact CD1-CB 3.76Å; L281-D318 HydrophobicContact CD2-CB 3.64Å; L281-D318 VanDerWaalsContact CD2-CG 3.44Å; L281-D318 HydrophobicContact CG-CB 4.33Å; L281-Y321 HydrophobicContact CD1-CD1 4.13Å
282K97.5Very high98Very high165 Ų16540.9 Ų40.972%0.71719%0.19SC*.Hα-helixtrans-57-43178.8-176.6-177.1177.8-178.70111.9K278 R279 R284K278-K282 WeakPolarHBondContact O-CB 3.31Å; K278-K282 PolarHBondContact O-N 2.59Å; R279-K282 PolarHBondContact O-N 2.73Å; K282-R284 VanDerWaalsContact C-N 3.27Å; K282-R284 PolarHBondContact O-N 3.17Å
283D97.5Very high98Very high37 Ų3739.1 Ų39.120%0.19818%0.183CC..THydrogen-bonded Turntrans-89.58.2-177.6-67.611.4000112.2Y245 K249 R279 L281 I285Y245-D283 WeakPolarHBondContact CE1-OD2 3.21Å; Y245-D283 WeakPolarHBondContact OH-CB 3.45Å; Y245-D283 PolarHBondContact OH-OD2 3.37Å; K249-D283 WeakPolarHBondContact CE-OD2 3.3Å; K249-D283 IonicContact NZ-OD2 2.78Å; K249-D283 PolarHBondContact NZ-OD2 2.89Å; K249-D283 VanDerWaalsContact NZ-OD2 3.13Å; R279-D283 IonicContact CZ-OD1 3.54Å; R279-D283 IonicContact CZ-OD2 2.6Å; R279-D283 VanDerWaalsContact CZ-OD2 3.29Å; R279-D283 VanDerWaalsContact NE-CG 3.26Å; R279-D283 IonicContact NE-OD1 3.59Å; R279-D283 PolarHBondContact NE-OD1 3.04Å; R279-D283 IonicContact NE-OD2 2.95Å; R279-D283 PolarHBondContact NE-OD2 3.29Å; R279-D283 IonicContact NH2-OD1 3.97Å; R279-D283 IonicContact NH2-OD2 3.29Å; R279-D283 PolarHBondContact NH2-OD2 3.39Å; R279-D283 PolarHBondContact O-N 3.21Å; L281-D283 VanDerWaalsContact C-N 3.27Å; L281-D283 PolarHBondContact O-N 3.36Å; D283-I285 VanDerWaalsContact C-N 3.28Å; D283-I285 HydrophobicContact CB-CG1 4.5Å; D283-I285 PolarHBondContact O-N 2.88Å
284R96.8Very high98.1Very high129 Ų12936.8 Ų36.849%0.48716%0.162SC..THydrogen-bonded Turntrans52.142.7179-58.5-65.8-169.6-172.6-2.8113.3F280 L281 K282 Y321F280-R284 PolarHBondContact O-N 3.27Å; F280-R284 VanDerWaalsContact O-N 3.08Å; L281-R284 PolarHBondContact O-N 3.31Å; L281-R284 VanDerWaalsContact O-N 3.08Å; K282-R284 VanDerWaalsContact C-N 3.27Å; K282-R284 PolarHBondContact O-N 3.17Å; R284-Y321 PolarHBondContact O-OH 2.98Å
285I98.1Very high98.2Very high2 Ų229.3 Ų29.31%0.0113%0.13CC..  trans-63.3147.2169.2-60.7-62.6000109.5Y245 L248 K249 L255 F280 D283 F287 Y321Y245-I285 HydrophobicContact CE2-CD1 3.82Å; Y245-I285 HydrophobicContact CE2-CG1 3.9Å; L248-I285 HydrophobicContact CB-CD1 4.13Å; K249-I285 HydrophobicContact CB-CD1 4.27Å; K249-I285 HydrophobicContact CG-CD1 3.5Å; L255-I285 HydrophobicContact CD1-CG2 3.96Å; L255-I285 HydrophobicContact CG-CG2 4.2Å; F280-I285 HydrophobicContact CB-CB 3.96Å; F280-I285 HydrophobicContact CB-CG1 4.14Å; F280-I285 HydrophobicContact CB-CG2 4.47Å; F280-I285 HydrophobicContact CD1-CG1 4.17Å; F280-I285 HydrophobicContact CG-CB 4.49Å; F280-I285 HydrophobicContact CG-CG1 4.44Å; F280-I285 PolarHBondContact O-N 2.9Å; D283-I285 VanDerWaalsContact C-N 3.28Å; D283-I285 HydrophobicContact CB-CG1 4.5Å; D283-I285 PolarHBondContact O-N 2.88Å; I285-F287 VanDerWaalsContact O-CD1 3.28Å; I285-F287 WeakPolarHBondContact O-CD1 3.47Å; I285-F287 PolarHBondContact O-N 2.78Å; I285-Y321 WeakPolarHBondContact O-CE1 2.83Å; I285-Y321 PolarHBondContact O-OH 3.49Å
286N98.4Very high98.1Very high36 Ų3629.3 Ų29.319%0.19313%0.13CC..  trans-76.5109.9173-17921.8000110Q253 H254 L255 N325 S329Q253-N286 PolarHBondContact O-ND2 3.09Å; H254-N286 WeakPolarHBondContact CA-O 3.34Å; H254-N286 WeakPolarHBondContact CB-ND2 3.29Å; H254-N286 VanDerWaalsContact ND1-CG 3.3Å; H254-N286 PolarHBondContact ND1-ND2 3.23Å; H254-N286 PolarHBondContact ND1-OD1 3.16Å; L255-N286 PolarHBondContact N-O 3.31Å; N286-N325 VanDerWaalsContact OD1-CB 3.25Å; N286-N325 WeakPolarHBondContact OD1-CB 3.39Å; N286-S329 PolarHBondContact ND2-OG 2.81Å
287F98.8Very high98.1Very high0 Ų028.8 Ų28.80%013%0.126CC..EExtended strand (participates in β ladder)trans-148.6163.8-178.774-97.9000113.6H254 L255 L257 F280 L281 I285 I289 F314 Y321 A322 N325H254-F287 PolarHBondContact CE1-O 3.44Å; L255-F287 HydrophobicContact CB-CB 4.08Å; L255-F287 CarbonylContact O-C 3.59Å; L255-F287 WeakPolarHBondContact O-CA 3.28Å; L255-F287 WeakPolarHBondContact O-CB 3.48Å; L257-F287 HydrophobicContact CD1-CB 3.92Å; L257-F287 HydrophobicContact CD1-CD1 4.42Å; L257-F287 HydrophobicContact CD1-CD2 3.45Å; L257-F287 VanDerWaalsContact CD1-CD2 3.45Å; L257-F287 HydrophobicContact CD1-CE2 4.07Å; L257-F287 HydrophobicContact CD1-CG 3.68Å; L257-F287 HydrophobicContact CG-CB 3.96Å; L257-F287 HydrophobicContact CG-CD2 4.07Å; L257-F287 HydrophobicContact CG-CG 4.24Å; F280-F287 HydrophobicContact CB-CD1 4.13Å; F280-F287 HydrophobicContact CB-CE1 4.37Å; L281-F287 HydrophobicContact CB-CE1 4.14Å; L281-F287 HydrophobicContact CB-CZ 4.2Å; L281-F287 HydrophobicContact CD1-CE1 4.33Å; L281-F287 HydrophobicContact CD1-CZ 4.15Å; I285-F287 VanDerWaalsContact O-CD1 3.28Å; I285-F287 WeakPolarHBondContact O-CD1 3.47Å; I285-F287 PolarHBondContact O-N 2.78Å; F287-I289 HydrophobicContact CD2-CD1 4.23Å; F287-I289 HydrophobicContact CE2-CD1 3.92Å; F287-I289 HydrophobicContact CE2-CG1 4.36Å; F287-F314 AromaticContact CE2-CE2 4Å; F287-F314 HydrophobicContact CE2-CE2 4Å; F287-F314 AromaticContact CZ-CE2 3.9Å; F287-F314 HydrophobicContact CZ-CE2 3.9Å; F287-F314 HydrophobicContact CZ-CZ 4.17Å; F287-Y321 HydrophobicContact CD1-CE1 4.3Å; F287-Y321 HydrophobicContact CE1-CD1 4.23Å; F287-Y321 AromaticContact CE1-CE1 3.88Å; F287-Y321 HydrophobicContact CE1-CE1 3.88Å; F287-Y321 HydrophobicContact CZ-CD1 4.39Å; F287-Y321 HydrophobicContact CZ-CE1 4.49Å; F287-A322 HydrophobicContact CD2-CB 4.15Å; F287-A322 HydrophobicContact CE2-CB 3.64Å; F287-A322 HydrophobicContact CZ-CB 4.3Å; F287-N325 WeakPolarHBondContact O-CB 3.14Å
288S98.9Very high98Very high1 Ų130.5 Ų30.51%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-122.5166.6171.152.70000111.5H254 L255 L257 N290H254-S288 PolarHBondContact CE1-N 3.21Å; H254-S288 VanDerWaalsContact CE1-N 3.33Å; H254-S288 WeakPolarHBondContact NE2-CB 3.47Å; H254-S288 PolarHBondContact NE2-N 3.23Å; H254-S288 VanDerWaalsContact NE2-N 3.15Å; H254-S288 PolarHBondContact NE2-OG 2.93Å; L255-S288 PolarHBondContact O-N 3.19Å; L257-S288 VanDerWaalsContact CB-O 3.23Å; L257-S288 WeakPolarHBondContact CB-O 3.31Å; L257-S288 WeakPolarHBondContact CG-O 3.21Å; L257-S288 PolarHBondContact N-O 3.33Å; S288-N290 PolarHBondContact OG-ND2 2.93Å
289I98.8Very high98Very high4 Ų428.6 Ų28.62%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-114.3131.3172.5-58.5-59.2000107.5L257 P259 F287 M301 E304 F305 F314 A322L257-I289 HydrophobicContact CB-CD1 4.39Å; L257-I289 HydrophobicContact CD1-CD1 4.48Å; L257-I289 CarbonylContact O-C 3.53Å; L257-I289 WeakPolarHBondContact O-CA 3.35Å; P259-I289 HydrophobicContact CG-CD1 4Å; P259-I289 HydrophobicContact CG-CG2 4.27Å; F287-I289 HydrophobicContact CD2-CD1 4.23Å; F287-I289 HydrophobicContact CE2-CD1 3.92Å; F287-I289 HydrophobicContact CE2-CG1 4.36Å; I289-M301 WeakPolarHBondContact O-CE 3.48Å; I289-E304 HydrophobicContact CG2-CB 4.01Å; I289-F305 HydrophobicContact CB-CE1 4.11Å; I289-F305 HydrophobicContact CG2-CD1 4.17Å; I289-F305 HydrophobicContact CG2-CE1 4.16Å; I289-F314 HydrophobicContact CD1-CE2 4.3Å; I289-A322 HydrophobicContact CG1-CB 4.21Å
290N98.9Very high98Very high0 Ų024.6 Ų24.60%012%0.118CC..  trans-145.6161.3-171.2-45-89.2000111.3E8 L9 H10 L257 C258 S288E8-N290 HydrophobicContact CG-CB 4.22Å; L9-N290 PolarHBondContact N-OD1 2.93Å; H10-N290 HydrophobicContact CB-CB 3.76Å; H10-N290 PolarHBondContact N-OD1 3.43Å; H10-N290 VanDerWaalsContact N-OD1 3.09Å; H10-N290 WeakPolarHBondContact O-CB 3.41Å; L257-N290 PolarHBondContact N-ND2 2.75Å; L257-N290 PolarHBondContact O-N 3.45Å; L257-N290 PolarHBondContact O-ND2 3.07Å; C258-N290 WeakPolarHBondContact CA-O 3.48Å; S288-N290 PolarHBondContact OG-ND2 2.93Å
291T98.8Very high98Very high2 Ų224.7 Ų24.71%0.01212%0.118CC..  trans-90.5-25.1-175.662.40000115.4E8 I11 D293 P294 L297 N299 M301 E304E8-T291 WeakPolarHBondContact OE1-CB 3.49Å; E8-T291 WeakPolarHBondContact OE1-CG2 3.37Å; E8-T291 PolarHBondContact OE1-N 2.92Å; E8-T291 PolarHBondContact OE1-OG1 2.83Å; I11-T291 WeakPolarHBondContact CD1-OG1 3.31Å; T291-D293 PolarHBondContact O-N 3.48Å; T291-D293 VanDerWaalsContact O-N 3.13Å; T291-P294 VanDerWaalsContact OG1-CG 3.26Å; T291-P294 WeakPolarHBondContact OG1-CG 3.37Å; T291-L297 WeakPolarHBondContact O-CD1 3.31Å; T291-N299 PolarHBondContact O-ND2 3.02Å; T291-N299 VanDerWaalsContact O-ND2 3.12Å; T291-M301 HydrophobicContact CG2-CG 3.94Å; T291-M301 VanDerWaalsContact CG2-N 3.35Å; T291-M301 HydrophobicContact CG2-SD 4.03Å; T291-E304 HydrophobicContact CG2-CG 3.9Å
292D98.2Very high98Very high2 Ų225.2 Ų25.21%0.01112%0.121CC..BIsolated β-bridgetrans69-90.9-174.2-151.99.6000113.7H10 I11 H12 H234 C258 S261 P294 L297H10-D292 IonicContact CD2-OD1 2.69Å; H10-D292 PolarHBondContact CD2-OD1 3.12Å; H10-D292 VanDerWaalsContact CD2-OD1 3.28Å; H10-D292 IonicContact NE2-OD1 3.15Å; H10-D292 PolarHBondContact NE2-OD1 3.44Å; H10-D292 VanDerWaalsContact NE2-OD1 3.16Å; H10-D292 PolarHBondContact O-N 3.17Å; I11-D292 WeakPolarHBondContact CA-O 3.41Å; H12-D292 IonicContact CD2-OD1 3.38Å; H12-D292 PolarHBondContact CD2-OD1 2.93Å; H12-D292 PolarHBondContact N-O 2.97Å; H12-D292 IonicContact NE2-OD1 2.9Å; H12-D292 PolarHBondContact NE2-OD1 3.18Å; H12-D292 VanDerWaalsContact NE2-OD1 3.16Å; H234-D292 IonicContact CE1-OD2 2.88Å; H234-D292 PolarHBondContact CE1-OD2 2.88Å; H234-D292 VanDerWaalsContact CE1-OD2 3.28Å; H234-D292 IonicContact NE2-OD2 2.59Å; C258-D292 HydrophobicContact CB-CB 3.87Å; S261-D292 VanDerWaalsContact CB-OD2 3.25Å; S261-D292 WeakPolarHBondContact CB-OD2 3.37Å; S261-D292 PolarHBondContact OG-OD2 2.86Å; D292-P294 WeakPolarHBondContact O-CD 3.11Å; D292-L297 HydrophobicContact CB-CD1 4.2Å
293D97.9Very high98Very high4 Ų419.4 Ų19.42%0.02110%0.102CC..  trans-124.671.8-172.7-62.1-55.6000113.7H12 G15 M56 F60 T291 T295 I296 L297H12-D293 WeakPolarHBondContact CB-OD1 3.25Å; H12-D293 IonicContact CD2-OD1 3.51Å; H12-D293 PolarHBondContact CD2-OD1 2.8Å; H12-D293 IonicContact CG-OD1 3.7Å; G15-D293 CarbonylContact O-C 3.53Å; G15-D293 WeakPolarHBondContact O-CA 3.4Å; M56-D293 WeakPolarHBondContact CE-OD2 3.33Å; F60-D293 HydrophobicContact CZ-CB 4.24Å; F60-D293 WeakPolarHBondContact CZ-OD1 3.3Å; T291-D293 PolarHBondContact O-N 3.48Å; T291-D293 VanDerWaalsContact O-N 3.13Å; D293-T295 PolarHBondContact O-N 3.01Å; D293-T295 VanDerWaalsContact O-N 3.08Å; D293-I296 PolarHBondContact O-N 3.4Å; D293-L297 HydrophobicContact CB-CD1 4.34Å; D293-L297 WeakPolarHBondContact O-CB 3.46Å; D293-L297 WeakPolarHBondContact O-CG 3.17Å; D293-L297 PolarHBondContact O-N 2.96Å
294P98.2Very high98.1Very high24 Ų2417.7 Ų17.716%0.1569%0.092CC..Hα-helixtrans-52.6-30.5-176.4-29.635.5000116.8I11 G15 A16 T291 D292 I296 D298 N299I11-P294 HydrophobicContact CD1-CG 4.03Å; I11-P294 HydrophobicContact CG1-CG 4.47Å; G15-P294 WeakPolarHBondContact O-CD 3.32Å; G15-P294 VanDerWaalsContact O-N 3.08Å; A16-P294 HydrophobicContact CB-CG 4.14Å; T291-P294 VanDerWaalsContact OG1-CG 3.26Å; T291-P294 WeakPolarHBondContact OG1-CG 3.37Å; D292-P294 WeakPolarHBondContact O-CD 3.11Å; P294-I296 VanDerWaalsContact C-N 3.3Å; P294-I296 PolarHBondContact O-N 3.47Å; P294-D298 VanDerWaalsContact O-CA 3.26Å; P294-D298 WeakPolarHBondContact O-CA 3.32Å; P294-D298 PolarHBondContact O-N 3.15Å; P294-N299 WeakPolarHBondContact CA-OD1 3.25Å
295T98Very high98.1Very high2 Ų211.6 Ų11.61%0.0127%0.07CC..Hα-helixtrans-59.5-43.4177.2-550000111G15 A16 I17 H19 I22 F63 D293G15-T295 VanDerWaalsContact C-OG1 3.24Å; G15-T295 VanDerWaalsContact O-CB 3.3Å; G15-T295 WeakPolarHBondContact O-CB 3.42Å; G15-T295 PolarHBondContact O-N 3.4Å; G15-T295 PolarHBondContact O-OG1 3.46Å; A16-T295 PolarHBondContact N-OG1 2.9Å; I17-T295 PolarHBondContact N-OG1 3.49Å; I17-T295 PolarHBondContact O-OG1 2.99Å; I17-T295 VanDerWaalsContact O-OG1 3.08Å; H19-T295 PolarHBondContact NE2-O 2.89Å; I22-T295 HydrophobicContact CD1-CG2 3.54Å; F63-T295 HydrophobicContact CD1-CG2 4Å; F63-T295 HydrophobicContact CD2-CG2 4.25Å; F63-T295 HydrophobicContact CE1-CG2 3.82Å; F63-T295 HydrophobicContact CE2-CG2 4.11Å; F63-T295 HydrophobicContact CG-CG2 4.21Å; F63-T295 HydrophobicContact CZ-CG2 3.88Å; D293-T295 PolarHBondContact O-N 3.01Å; D293-T295 VanDerWaalsContact O-N 3.08Å
296I96.9Very high98.1Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-90.8-38.3-177.3-66.1167.3000110.7T46 S47 M56 D59 F60 F63 D293 P294 D298T46-I296 CarbonylContact C-O 3.55Å; T46-I296 WeakPolarHBondContact CA-O 3.35Å; S47-I296 PolarHBondContact N-O 3.08Å; M56-I296 HydrophobicContact CG-CD1 4.08Å; M56-I296 HydrophobicContact CG-CG2 4.09Å; D59-I296 HydrophobicContact CB-CD1 4.04Å; D59-I296 HydrophobicContact CB-CG1 4.44Å; F60-I296 HydrophobicContact CD2-CD1 3.36Å; F60-I296 HydrophobicContact CE2-CD1 3.32Å; F60-I296 HydrophobicContact CG-CD1 4.2Å; F60-I296 HydrophobicContact CZ-CD1 4.12Å; F63-I296 HydrophobicContact CE1-CD1 3.87Å; F63-I296 HydrophobicContact CE1-CG1 3.63Å; F63-I296 HydrophobicContact CZ-CD1 3.75Å; F63-I296 HydrophobicContact CZ-CG1 3.79Å; D293-I296 PolarHBondContact O-N 3.4Å; P294-I296 VanDerWaalsContact C-N 3.3Å; P294-I296 PolarHBondContact O-N 3.47Å; I296-D298 VanDerWaalsContact C-N 3.32Å
297L97.3Very high98.1Very high4 Ų414.4 Ų14.42%0.0218%0.084CC..Hα-helixtrans-82.5-14.9-175.8-63.4173.4000113M56 L260 V264 T291 D292 D293 N299M56-L297 HydrophobicContact SD-CD2 4.44Å; L260-L297 HydrophobicContact CD2-CB 4.17Å; V264-L297 HydrophobicContact CB-CD2 3.79Å; V264-L297 HydrophobicContact CG1-CD2 3.76Å; V264-L297 HydrophobicContact CG2-CD2 3.98Å; T291-L297 WeakPolarHBondContact O-CD1 3.31Å; D292-L297 HydrophobicContact CB-CD1 4.2Å; D293-L297 HydrophobicContact CB-CD1 4.34Å; D293-L297 WeakPolarHBondContact O-CB 3.46Å; D293-L297 WeakPolarHBondContact O-CG 3.17Å; D293-L297 PolarHBondContact O-N 2.96Å; L297-N299 HydrophobicContact CB-CB 4.47Å; L297-N299 PolarHBondContact O-N 2.95Å
298D97.2Very high98.1Very high36 Ų3614.4 Ų14.419%0.1938%0.084CC..  trans52.341-177.1-166.136.5000113.1H19 R42 T46 R48 P294 I296H19-D298 IonicContact CE1-OD1 3.31Å; R42-D298 IonicContact CZ-OD1 3.78Å; R42-D298 IonicContact CZ-OD2 3.66Å; R42-D298 IonicContact NE-OD1 3.49Å; R42-D298 PolarHBondContact NE-OD1 3.46Å; R42-D298 IonicContact NE-OD2 2.75Å; R42-D298 PolarHBondContact NE-OD2 2.9Å; R42-D298 VanDerWaalsContact NE-OD2 3.13Å; R42-D298 IonicContact NH2-OD1 3.18Å; R42-D298 PolarHBondContact NH2-OD1 3.22Å; R42-D298 IonicContact NH2-OD2 3.11Å; R42-D298 PolarHBondContact NH2-OD2 3.33Å; T46-D298 HydrophobicContact CG2-CB 3.44Å; T46-D298 VanDerWaalsContact CG2-CB 3.44Å; R48-D298 IonicContact NH2-OD2 3.76Å; R48-D298 PolarHBondContact NH2-OD2 3.15Å; P294-D298 VanDerWaalsContact O-CA 3.26Å; P294-D298 WeakPolarHBondContact O-CA 3.32Å; P294-D298 PolarHBondContact O-N 3.15Å; I296-D298 VanDerWaalsContact C-N 3.32Å
299N97.7Very high98Very high17 Ų1717.8 Ų17.89%0.09110%0.099CC..  trans-117-179.3-178.770.4-9.3000111.7L260 T291 P294 L297 S303 E304L260-N299 HydrophobicContact CD2-CB 3.71Å; T291-N299 PolarHBondContact O-ND2 3.02Å; T291-N299 VanDerWaalsContact O-ND2 3.12Å; P294-N299 WeakPolarHBondContact CA-OD1 3.25Å; L297-N299 HydrophobicContact CB-CB 4.47Å; L297-N299 PolarHBondContact O-N 2.95Å; N299-S303 WeakPolarHBondContact CA-OG 3.32Å; N299-E304 PolarHBondContact ND2-OE1 3.43Å
300S98.3Very high98Very high33 Ų3324.6 Ų24.623%0.23113%0.131CC..  trans-155.8162.7-179.864.70000108.5N88 N302 S303 E304N88-S300 WeakPolarHBondContact OD1-CB 3.45Å; S300-N302 PolarHBondContact O-N 2.73Å; S300-N302 VanDerWaalsContact O-N 3.17Å; S300-S303 PolarHBondContact N-OG 3.06Å; S300-S303 PolarHBondContact O-N 2.93Å; S300-S303 PolarHBondContact O-OG 3.06Å; S300-S303 PolarHBondContact OG-N 2.85Å; S300-S303 VanDerWaalsContact OG-N 3.11Å; S300-S303 PolarHBondContact OG-OG 2.8Å; S300-E304 PolarHBondContact O-N 3.05Å
301M98.4Very high97.9Very high1 Ų129.6 Ų29.61%0.00515%0.152CC..Hα-helixtrans-59-30.6175.9-83.6-62.5-6900112.9K6 E8 N88 V90 I289 T291 F305K6-M301 HydrophobicContact CB-CE 3.95Å; K6-M301 HydrophobicContact CD-CB 3.92Å; K6-M301 HydrophobicContact CD-CE 4.19Å; E8-M301 HydrophobicContact CB-CE 4.33Å; E8-M301 HydrophobicContact CB-CG 4.25Å; E8-M301 HydrophobicContact CB-SD 4.09Å; E8-M301 HydrophobicContact CG-CG 4.39Å; E8-M301 HydrophobicContact CG-SD 4.07Å; E8-M301 WeakPolarHBondContact OE2-CG 3.36Å; N88-M301 HydrophobicContact CB-CB 4.22Å; V90-M301 HydrophobicContact CG2-CB 3.91Å; V90-M301 HydrophobicContact CG2-CG 3.76Å; I289-M301 WeakPolarHBondContact O-CE 3.48Å; T291-M301 HydrophobicContact CG2-CG 3.94Å; T291-M301 VanDerWaalsContact CG2-N 3.35Å; T291-M301 HydrophobicContact CG2-SD 4.03Å; M301-F305 HydrophobicContact CE-CD1 4.27Å; M301-F305 HydrophobicContact CE-CE1 3.52Å; M301-F305 HydrophobicContact CE-CZ 4.1Å; M301-F305 WeakPolarHBondContact O-CD1 3.45Å; M301-F305 PolarHBondContact O-N 3.34Å
302N98.2Very high97.9Very high30 Ų3029.6 Ų29.616%0.1615%0.152CC..Hα-helixtrans-67.2-48173-73.1-29.6000111.8A2 K6 N88 S300 E304 F305 D306A2-N302 WeakPolarHBondContact CA-OD1 3.38Å; K6-N302 WeakPolarHBondContact CE-OD1 3.35Å; K6-N302 PolarHBondContact NZ-OD1 2.97Å; N88-N302 PolarHBondContact OD1-ND2 3.28Å; S300-N302 PolarHBondContact O-N 2.73Å; S300-N302 VanDerWaalsContact O-N 3.17Å; N302-E304 PolarHBondContact O-N 2.98Å; N302-F305 PolarHBondContact O-N 3.27Å; N302-D306 PolarHBondContact O-N 2.96Å
303S97.7Very high97.9Very high44 Ų4436.2 Ų36.231%0.30818%0.183SC..Hα-helixtrans-68.7-32.518065.20000112.9N299 S300 F305 D306 L307N299-S303 WeakPolarHBondContact CA-OG 3.32Å; S300-S303 PolarHBondContact N-OG 3.06Å; S300-S303 PolarHBondContact O-N 2.93Å; S300-S303 PolarHBondContact O-OG 3.06Å; S300-S303 PolarHBondContact OG-N 2.85Å; S300-S303 VanDerWaalsContact OG-N 3.11Å; S300-S303 PolarHBondContact OG-OG 2.8Å; S303-F305 VanDerWaalsContact C-N 3.33Å; S303-D306 PolarHBondContact O-N 3.24Å; S303-L307 VanDerWaalsContact O-CB 3.25Å; S303-L307 WeakPolarHBondContact O-CB 3.34Å; S303-L307 PolarHBondContact O-N 3.01Å
304E98.2Very high97.8Very high1 Ų136.4 Ų36.41%0.00518%0.184CC..Hα-helixtrans-64.2-39.1172.5-74.2-57.3113.500111.4P259 L260 I289 T291 N299 S300 N302 L307 C308P259-E304 WeakPolarHBondContact CD-OE2 3.49Å; L260-E304 WeakPolarHBondContact CB-OE1 3.28Å; L260-E304 PolarHBondContact N-OE2 3.04Å; I289-E304 HydrophobicContact CG2-CB 4.01Å; T291-E304 HydrophobicContact CG2-CG 3.9Å; N299-E304 PolarHBondContact ND2-OE1 3.43Å; S300-E304 PolarHBondContact O-N 3.05Å; N302-E304 PolarHBondContact O-N 2.98Å; E304-L307 PolarHBondContact O-N 3.4Å; E304-C308 PolarHBondContact O-N 3.42Å; E304-C308 PolarHBondContact O-SG 2.97Å
305F98.1Very high97.8Very high1 Ų138.7 Ų38.70%0.00420%0.197CC..Hα-helixtrans-66.7-43.8175.8-85.333.3000111.3M1 K6 I289 M301 N302 S303 L307 C308 K309 L319 V323 W348M1-F305 HydrophobicContact CE-CD2 4.19Å; K6-F305 HydrophobicContact CB-CZ 4.32Å; K6-F305 HydrophobicContact CD-CD1 4.45Å; K6-F305 HydrophobicContact CD-CD2 4.05Å; K6-F305 HydrophobicContact CD-CE1 4.26Å; K6-F305 HydrophobicContact CD-CE2 3.82Å; K6-F305 HydrophobicContact CD-CG 4.36Å; K6-F305 HydrophobicContact CD-CZ 3.94Å; K6-F305 HydrophobicContact CG-CD2 4.39Å; K6-F305 HydrophobicContact CG-CE2 3.71Å; K6-F305 HydrophobicContact CG-CZ 3.8Å; I289-F305 HydrophobicContact CB-CE1 4.11Å; I289-F305 HydrophobicContact CG2-CD1 4.17Å; I289-F305 HydrophobicContact CG2-CE1 4.16Å; M301-F305 HydrophobicContact CE-CD1 4.27Å; M301-F305 HydrophobicContact CE-CE1 3.52Å; M301-F305 HydrophobicContact CE-CZ 4.1Å; M301-F305 WeakPolarHBondContact O-CD1 3.45Å; M301-F305 PolarHBondContact O-N 3.34Å; N302-F305 PolarHBondContact O-N 3.27Å; S303-F305 VanDerWaalsContact C-N 3.33Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-L307 PolarHBondContact O-N 3.18Å; F305-C308 WeakPolarHBondContact O-CB 3.24Å; F305-C308 PolarHBondContact O-N 3.23Å; F305-K309 WeakPolarHBondContact O-CG 3.34Å; F305-K309 PolarHBondContact O-N 3.35Å; F305-L319 HydrophobicContact CB-CD1 4.37Å; F305-L319 HydrophobicContact CD1-CD2 4.3Å; F305-L319 HydrophobicContact CD2-CD1 4.06Å; F305-L319 HydrophobicContact CD2-CD2 4.33Å; F305-L319 HydrophobicContact CE1-CD2 4.48Å; F305-L319 HydrophobicContact CE2-CB 4.43Å; F305-L319 HydrophobicContact CG-CD1 4.31Å; F305-L319 HydrophobicContact CG-CD2 4.21Å; F305-V323 HydrophobicContact CE2-CG2 4.13Å; F305-V323 HydrophobicContact CZ-CG2 3.64Å; F305-W348 AromaticContact CE2-CH2 3.86Å; F305-W348 HydrophobicContact CE2-CH2 3.86Å; F305-W348 AromaticContact CE2-CZ2 3.94Å; F305-W348 HydrophobicContact CE2-CZ2 3.94Å
306D97.9Very high97.6Very high72 Ų7241.6 Ų41.639%0.38521%0.213SC..Hα-helixtrans-61.9-43.2176.4-67-24.1000110.5N302 S303 C308 K309 E310N302-D306 PolarHBondContact O-N 2.96Å; S303-D306 PolarHBondContact O-N 3.24Å; D306-C308 PolarHBondContact O-N 3.05Å; D306-K309 PolarHBondContact O-N 3.21Å; D306-K309 VanDerWaalsContact O-N 3.15Å; D306-E310 WeakPolarHBondContact O-CB 3.34Å; D306-E310 WeakPolarHBondContact O-CG 3.37Å; D306-E310 PolarHBondContact O-N 3.4Å
307L97.6Very high97.6Very high25 Ų2546.4 Ų46.413%0.13124%0.235CC..Hα-helixtrans-58.6-43.8172.3177.2154.5000112.3P259 L260 W272 S303 E304 F305 K309 E310 K311P259-L307 HydrophobicContact CB-CD2 3.74Å; L260-L307 HydrophobicContact CB-CD1 4.02Å; L260-L307 HydrophobicContact CD1-CD1 4.14Å; W272-L307 HydrophobicContact CE3-CD2 4.36Å; W272-L307 HydrophobicContact CH2-CD1 3.82Å; W272-L307 HydrophobicContact CH2-CD2 3.76Å; W272-L307 HydrophobicContact CH2-CG 4.17Å; W272-L307 HydrophobicContact CZ2-CD1 4.16Å; W272-L307 HydrophobicContact CZ3-CD1 4.49Å; W272-L307 HydrophobicContact CZ3-CD2 3.59Å; W272-L307 HydrophobicContact CZ3-CG 4.37Å; S303-L307 VanDerWaalsContact O-CB 3.25Å; S303-L307 WeakPolarHBondContact O-CB 3.34Å; S303-L307 PolarHBondContact O-N 3.01Å; E304-L307 PolarHBondContact O-N 3.4Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-L307 PolarHBondContact O-N 3.18Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 3.44Å; L307-E310 PolarHBondContact O-N 3.41Å; L307-K311 HydrophobicContact CG-CB 4.49Å; L307-K311 HydrophobicContact CG-CG 4.17Å; L307-K311 WeakPolarHBondContact O-CA 3.29Å; L307-K311 VanDerWaalsContact O-CB 3.29Å; L307-K311 WeakPolarHBondContact O-CB 3.42Å; L307-K311 PolarHBondContact O-N 3.03Å
308C98.3Very high97.6Very high0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-60.9-40.4176-69.80000111.8E304 F305 D306 L312 Q313 F314 L319E304-C308 PolarHBondContact O-N 3.42Å; E304-C308 PolarHBondContact O-SG 2.97Å; F305-C308 WeakPolarHBondContact O-CB 3.24Å; F305-C308 PolarHBondContact O-N 3.23Å; D306-C308 PolarHBondContact O-N 3.05Å; C308-L312 HydrophobicContact CB-CD1 4.36Å; C308-L312 CarbonylContact O-C 3.55Å; C308-L312 WeakPolarHBondContact O-CA 3Å; C308-L312 VanDerWaalsContact O-CB 3.24Å; C308-L312 WeakPolarHBondContact O-CB 3.26Å; C308-L312 PolarHBondContact O-N 3.36Å; C308-Q313 PolarHBondContact O-N 2.96Å; C308-F314 HydrophobicContact CB-CB 4.24Å; C308-F314 HydrophobicContact CB-CD2 4.03Å; C308-F314 HydrophobicContact CB-CG 4.26Å; C308-F314 PolarHBondContact O-N 2.8Å; C308-L319 HydrophobicContact CB-CD2 3.94Å
309K97.8Very high97.6Very high72 Ų7245.6 Ų45.631%0.31323%0.231SC..Hα-helixtrans-68.9-47.3177.5-65.9-175.667.31600111.5M1 F305 D306 L307 Q313 D316 L319M1-K309 HydrophobicContact CE-CD 4.31Å; M1-K309 HydrophobicContact CG-CD 3.82Å; M1-K309 HydrophobicContact SD-CD 4.29Å; F305-K309 WeakPolarHBondContact O-CG 3.34Å; F305-K309 PolarHBondContact O-N 3.35Å; D306-K309 PolarHBondContact O-N 3.21Å; D306-K309 VanDerWaalsContact O-N 3.15Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 3.44Å; K309-Q313 VanDerWaalsContact O-CA 3.25Å; K309-Q313 WeakPolarHBondContact O-CA 3.45Å; K309-Q313 PolarHBondContact O-N 2.96Å; K309-D316 WeakPolarHBondContact CE-OD1 3.35Å; K309-D316 IonicContact NZ-OD1 3.36Å; K309-D316 PolarHBondContact NZ-OD1 3.17Å; K309-D316 IonicContact NZ-OD2 3.72Å; K309-L319 HydrophobicContact CD-CD1 4.01Å; K309-L319 HydrophobicContact CG-CD1 3.72Å
310E97.8Very high97.6Very high146 Ų14647 Ų4768%0.68224%0.236SC*.Hα-helixtrans-76.1-44.6-173-69.4179.3-175.400113.1D306 L307D306-E310 WeakPolarHBondContact O-CB 3.34Å; D306-E310 WeakPolarHBondContact O-CG 3.37Å; D306-E310 PolarHBondContact O-N 3.4Å; L307-E310 PolarHBondContact O-N 3.41Å
311K97.5Very high97.6Very high106 Ų10647.4 Ų47.446%0.46123%0.233SC..THydrogen-bonded Turntrans-97.6-41-172.3-56.1-63.8-176.6179.70112.5W272 L307W272-K311 HydrophobicContact CB-CB 3.97Å; W272-K311 HydrophobicContact CD2-CB 3.7Å; W272-K311 HydrophobicContact CD2-CG 4.19Å; W272-K311 HydrophobicContact CE3-CB 3.85Å; W272-K311 HydrophobicContact CG-CB 3.77Å; W272-K311 HydrophobicContact CG-CD 4.36Å; W272-K311 HydrophobicContact CG-CG 4.28Å; L307-K311 HydrophobicContact CG-CB 4.49Å; L307-K311 HydrophobicContact CG-CG 4.17Å; L307-K311 WeakPolarHBondContact O-CA 3.29Å; L307-K311 VanDerWaalsContact O-CB 3.29Å; L307-K311 WeakPolarHBondContact O-CB 3.42Å; L307-K311 PolarHBondContact O-N 3.03Å
312L98.2Very high97.6Very high2 Ų247.5 Ų47.51%0.0123%0.234CC..SBendtrans-90.7-12.1179.8-55.1177.6000113.2P259 W272 H275 A277 K278 C308 F314P259-L312 HydrophobicContact CB-CD1 4.33Å; P259-L312 HydrophobicContact CG-CD1 4.37Å; W272-L312 HydrophobicContact CE3-CD2 3.74Å; W272-L312 HydrophobicContact CE3-CG 4.3Å; W272-L312 HydrophobicContact CZ3-CD2 4.27Å; H275-L312 HydrophobicContact CB-CD2 3.48Å; H275-L312 VanDerWaalsContact CB-CD2 3.48Å; A277-L312 HydrophobicContact CB-CD1 3.92Å; K278-L312 VanDerWaalsContact CE-O 3.22Å; K278-L312 WeakPolarHBondContact CE-O 3.11Å; K278-L312 HydrophobicContact CG-CB 4.33Å; K278-L312 HydrophobicContact CG-CD2 4.14Å; C308-L312 HydrophobicContact CB-CD1 4.36Å; C308-L312 CarbonylContact O-C 3.55Å; C308-L312 WeakPolarHBondContact O-CA 3Å; C308-L312 VanDerWaalsContact O-CB 3.24Å; C308-L312 WeakPolarHBondContact O-CB 3.26Å; C308-L312 PolarHBondContact O-N 3.36Å; L312-F314 VanDerWaalsContact C-N 3.28Å; L312-F314 HydrophobicContact CB-CD1 3.71Å; L312-F314 HydrophobicContact CB-CE1 3.8Å; L312-F314 HydrophobicContact CB-CG 4.34Å; L312-F314 HydrophobicContact CD1-CE1 4.35Å; L312-F314 HydrophobicContact CD1-CZ 4.25Å; L312-F314 PolarHBondContact O-N 2.87Å
313Q97.7Very high97.6Very high141 Ų14146.2 Ų46.266%0.65923%0.227SC*.  trans62.432.7-177.5-54.7171.7-46.900112.9C308 K309C308-Q313 PolarHBondContact O-N 2.96Å; K309-Q313 VanDerWaalsContact O-CA 3.25Å; K309-Q313 WeakPolarHBondContact O-CA 3.45Å; K309-Q313 PolarHBondContact O-N 2.96Å
314F97.7Very high97.6Very high7 Ų744.3 Ų44.33%0.03121%0.214CC..  trans-70.3136.8174.2-7716.7000109.8A277 L281 F287 I289 C308 L312 D318 L319A277-F314 HydrophobicContact CB-CZ 4.07Å; L281-F314 HydrophobicContact CB-CE1 4.09Å; L281-F314 HydrophobicContact CB-CZ 3.95Å; L281-F314 HydrophobicContact CD2-CD1 3.53Å; L281-F314 HydrophobicContact CD2-CD2 4.44Å; L281-F314 HydrophobicContact CD2-CE1 3.42Å; L281-F314 VanDerWaalsContact CD2-CE1 3.42Å; L281-F314 HydrophobicContact CD2-CE2 4.35Å; L281-F314 HydrophobicContact CD2-CG 4.06Å; L281-F314 HydrophobicContact CD2-CZ 3.86Å; L281-F314 HydrophobicContact CG-CE1 4.38Å; L281-F314 HydrophobicContact CG-CZ 4.45Å; F287-F314 AromaticContact CE2-CE2 4Å; F287-F314 HydrophobicContact CE2-CE2 4Å; F287-F314 AromaticContact CZ-CE2 3.9Å; F287-F314 HydrophobicContact CZ-CE2 3.9Å; F287-F314 HydrophobicContact CZ-CZ 4.17Å; I289-F314 HydrophobicContact CD1-CE2 4.3Å; C308-F314 HydrophobicContact CB-CB 4.24Å; C308-F314 HydrophobicContact CB-CD2 4.03Å; C308-F314 HydrophobicContact CB-CG 4.26Å; C308-F314 PolarHBondContact O-N 2.8Å; L312-F314 VanDerWaalsContact C-N 3.28Å; L312-F314 HydrophobicContact CB-CD1 3.71Å; L312-F314 HydrophobicContact CB-CE1 3.8Å; L312-F314 HydrophobicContact CB-CG 4.34Å; L312-F314 HydrophobicContact CD1-CE1 4.35Å; L312-F314 HydrophobicContact CD1-CZ 4.25Å; L312-F314 PolarHBondContact O-N 2.87Å; F314-D318 HydrophobicContact CB-CB 4.06Å; F314-D318 HydrophobicContact CD2-CB 4.38Å; F314-D318 HydrophobicContact CG-CB 4.21Å; F314-L319 HydrophobicContact CB-CG 4.32Å; F314-L319 HydrophobicContact CD2-CD2 4.14Å
315T96.6Very high97.6Very high72 Ų7244.9 Ų44.944%0.44222%0.217SC..  trans-82.3170170.867.20000110.8H317 D318 L319T315-H317 PolarHBondContact O-N 3.15Å; T315-H317 PolarHBondContact OG1-N 3.09Å; T315-D318 WeakPolarHBondContact CB-OD2 3.5Å; T315-D318 PolarHBondContact N-OD2 3.36Å; T315-D318 PolarHBondContact O-N 2.87Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 PolarHBondContact OG1-OD2 3.14Å; T315-L319 PolarHBondContact O-N 3.23Å
316D95.4Very high97.6Very high63 Ų6344.9 Ų44.934%0.33722%0.217SC..Hα-helixtrans-61-33.9173.2-65-14.2000111.3K309 D318 L319 F320 W348K309-D316 WeakPolarHBondContact CE-OD1 3.35Å; K309-D316 IonicContact NZ-OD1 3.36Å; K309-D316 PolarHBondContact NZ-OD1 3.17Å; K309-D316 IonicContact NZ-OD2 3.72Å; D316-D318 VanDerWaalsContact C-N 3.34Å; D316-D318 PolarHBondContact O-N 3.02Å; D316-L319 PolarHBondContact O-N 3.24Å; D316-F320 WeakPolarHBondContact O-CB 3.47Å; D316-F320 PolarHBondContact O-N 3Å; D316-W348 VanDerWaalsContact O-CZ3 3.25Å; D316-W348 WeakPolarHBondContact O-CZ3 3.33Å
317H95.6Very high97.6Very high102 Ų10241.4 Ų41.447%0.47220%0.198SC..Hα-helixtrans-66.7-34.6174.2-179.8-80.9000112.3T315 F320 Y321T315-H317 PolarHBondContact O-N 3.15Å; T315-H317 PolarHBondContact OG1-N 3.09Å; H317-F320 WeakPolarHBondContact O-CB 3.44Å; H317-F320 PolarHBondContact O-N 3.29Å; H317-Y321 WeakPolarHBondContact O-CB 3.38Å; H317-Y321 PolarHBondContact O-N 2.95Å
318D97.4Very high97.6Very high22 Ų2245.4 Ų45.412%0.11821%0.212CC..Hα-helixtrans-71.5-38177.2-59-43.6000111.9L281 F314 T315 D316 Y321 A322L281-D318 HydrophobicContact CD1-CB 3.76Å; L281-D318 HydrophobicContact CD2-CB 3.64Å; L281-D318 VanDerWaalsContact CD2-CG 3.44Å; L281-D318 HydrophobicContact CG-CB 4.33Å; F314-D318 HydrophobicContact CB-CB 4.06Å; F314-D318 HydrophobicContact CD2-CB 4.38Å; F314-D318 HydrophobicContact CG-CB 4.21Å; T315-D318 WeakPolarHBondContact CB-OD2 3.5Å; T315-D318 PolarHBondContact N-OD2 3.36Å; T315-D318 PolarHBondContact O-N 2.87Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 PolarHBondContact OG1-OD2 3.14Å; D316-D318 VanDerWaalsContact C-N 3.34Å; D316-D318 PolarHBondContact O-N 3.02Å; D318-Y321 WeakPolarHBondContact O-CB 3.3Å; D318-Y321 PolarHBondContact O-N 3.07Å; D318-A322 PolarHBondContact O-N 3.27Å
319L97.8Very high97.6Very high0 Ų046.4 Ų46.40%022%0.218CC..Hα-helixtrans-68.2-38172.5-69.2170.6000111.5M1 F305 C308 K309 F314 T315 D316 Y321 A322 V323 W348M1-L319 HydrophobicContact CE-CB 4.41Å; M1-L319 HydrophobicContact CE-CD1 3.47Å; M1-L319 VanDerWaalsContact CE-CD1 3.47Å; F305-L319 HydrophobicContact CB-CD1 4.37Å; F305-L319 HydrophobicContact CD1-CD2 4.3Å; F305-L319 HydrophobicContact CD2-CD1 4.06Å; F305-L319 HydrophobicContact CD2-CD2 4.33Å; F305-L319 HydrophobicContact CE1-CD2 4.48Å; F305-L319 HydrophobicContact CE2-CB 4.43Å; F305-L319 HydrophobicContact CG-CD1 4.31Å; F305-L319 HydrophobicContact CG-CD2 4.21Å; C308-L319 HydrophobicContact CB-CD2 3.94Å; K309-L319 HydrophobicContact CD-CD1 4.01Å; K309-L319 HydrophobicContact CG-CD1 3.72Å; F314-L319 HydrophobicContact CB-CG 4.32Å; F314-L319 HydrophobicContact CD2-CD2 4.14Å; T315-L319 PolarHBondContact O-N 3.23Å; D316-L319 PolarHBondContact O-N 3.24Å; L319-Y321 VanDerWaalsContact C-N 3.29Å; L319-Y321 PolarHBondContact O-N 3.46Å; L319-A322 PolarHBondContact O-N 3.08Å; L319-V323 WeakPolarHBondContact O-CG2 3.29Å; L319-V323 PolarHBondContact O-N 2.64Å; L319-W348 HydrophobicContact CB-CH2 3.69Å; L319-W348 HydrophobicContact CB-CZ3 3.95Å
320F97.4Very high97.7Very high47 Ų4743 Ų4321%0.20620%0.204CC..Hα-helixtrans-60.1-40.2171.2176.2-118.7000112.3D316 H317 V323 S324 V344 K345 W348D316-F320 WeakPolarHBondContact O-CB 3.47Å; D316-F320 PolarHBondContact O-N 3Å; H317-F320 WeakPolarHBondContact O-CB 3.44Å; H317-F320 PolarHBondContact O-N 3.29Å; F320-V323 PolarHBondContact O-N 2.93Å; F320-S324 WeakPolarHBondContact CE2-OG 3.42Å; F320-S324 VanDerWaalsContact O-CB 3.24Å; F320-S324 WeakPolarHBondContact O-CB 3.27Å; F320-S324 PolarHBondContact O-N 3.34Å; F320-S324 PolarHBondContact O-OG 2.94Å; F320-V344 HydrophobicContact CD2-CG1 4.19Å; F320-V344 HydrophobicContact CE2-CG1 3.91Å; F320-K345 HydrophobicContact CE2-CG 4.43Å; F320-K345 HydrophobicContact CZ-CG 4.03Å; F320-W348 HydrophobicContact CB-CD2 4.01Å; F320-W348 HydrophobicContact CB-CE3 3.48Å; F320-W348 VanDerWaalsContact CB-CE3 3.48Å; F320-W348 HydrophobicContact CB-CZ3 3.88Å; F320-W348 HydrophobicContact CD2-CB 3.4Å; F320-W348 AromaticContact CD2-CD2 3.7Å; F320-W348 HydrophobicContact CD2-CD2 3.7Å; F320-W348 HydrophobicContact CD2-CE3 4.05Å; F320-W348 AromaticContact CD2-CG 3.42Å; F320-W348 HydrophobicContact CD2-CG 3.42Å; F320-W348 VanDerWaalsContact CD2-CG 3.42Å; F320-W348 HydrophobicContact CE2-CB 3.65Å; F320-W348 AromaticContact CE2-CG 4Å; F320-W348 HydrophobicContact CE2-CG 4Å; F320-W348 HydrophobicContact CG-CB 4.25Å; F320-W348 HydrophobicContact CG-CD2 4.3Å; F320-W348 HydrophobicContact CG-CE3 4.19Å; F320-W348 HydrophobicContact CG-CG 4.36Å
321Y97.6Very high97.7Very high42 Ų4236.6 Ų36.617%0.16517%0.174CC..Hα-helixtrans-59.2-48.7174.4172-91.8000110.9L281 R284 I285 F287 H317 D318 L319 S324 N325L281-Y321 HydrophobicContact CD1-CD1 4.13Å; R284-Y321 PolarHBondContact O-OH 2.98Å; I285-Y321 WeakPolarHBondContact O-CE1 2.83Å; I285-Y321 PolarHBondContact O-OH 3.49Å; F287-Y321 HydrophobicContact CD1-CE1 4.3Å; F287-Y321 HydrophobicContact CE1-CD1 4.23Å; F287-Y321 AromaticContact CE1-CE1 3.88Å; F287-Y321 HydrophobicContact CE1-CE1 3.88Å; F287-Y321 HydrophobicContact CZ-CD1 4.39Å; F287-Y321 HydrophobicContact CZ-CE1 4.49Å; H317-Y321 WeakPolarHBondContact O-CB 3.38Å; H317-Y321 PolarHBondContact O-N 2.95Å; D318-Y321 WeakPolarHBondContact O-CB 3.3Å; D318-Y321 PolarHBondContact O-N 3.07Å; L319-Y321 VanDerWaalsContact C-N 3.29Å; L319-Y321 PolarHBondContact O-N 3.46Å; Y321-S324 PolarHBondContact O-N 3.47Å; Y321-N325 WeakPolarHBondContact CE1-ND2 2.94Å; Y321-N325 WeakPolarHBondContact O-CB 3.49Å; Y321-N325 PolarHBondContact O-N 2.93Å; Y321-N325 PolarHBondContact OH-ND2 2.6Å; Y321-N325 VanDerWaalsContact OH-ND2 3.12Å
322A98.3Very high97.7Very high2 Ų231.9 Ų31.92%0.01715%0.154CC..Hα-helixtrans-61.6-45.9177.400000112.4F287 I289 D318 L319 N325 A326F287-A322 HydrophobicContact CD2-CB 4.15Å; F287-A322 HydrophobicContact CE2-CB 3.64Å; F287-A322 HydrophobicContact CZ-CB 4.3Å; I289-A322 HydrophobicContact CG1-CB 4.21Å; D318-A322 PolarHBondContact O-N 3.27Å; L319-A322 PolarHBondContact O-N 3.08Å; A322-N325 PolarHBondContact O-N 3.27Å; A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 2.89Å
323V98.3Very high97.6Very high4 Ų438.4 Ų38.42%0.02418%0.182CC..Hα-helixtrans-66.4-39.6178.6177.10000111.8I7 F305 L319 F320 N325 A326 A327 V344 W348I7-V323 HydrophobicContact CB-CG1 4.41Å; I7-V323 HydrophobicContact CD1-CG1 4.17Å; I7-V323 HydrophobicContact CG1-CG1 4.13Å; F305-V323 HydrophobicContact CE2-CG2 4.13Å; F305-V323 HydrophobicContact CZ-CG2 3.64Å; L319-V323 WeakPolarHBondContact O-CG2 3.29Å; L319-V323 PolarHBondContact O-N 2.64Å; F320-V323 PolarHBondContact O-N 2.93Å; V323-N325 VanDerWaalsContact C-N 3.3Å; V323-N325 PolarHBondContact O-N 3.5Å; V323-A326 WeakPolarHBondContact O-CB 3.3Å; V323-A326 PolarHBondContact O-N 2.61Å; V323-A327 PolarHBondContact O-N 2.99Å; V323-V344 HydrophobicContact CB-CG1 4.43Å; V323-V344 HydrophobicContact CG1-CB 4.49Å; V323-V344 HydrophobicContact CG1-CG1 3.66Å; V323-V344 HydrophobicContact CG1-CG2 3.91Å; V323-W348 HydrophobicContact CB-CZ2 4.29Å; V323-W348 HydrophobicContact CG2-CH2 4.39Å; V323-W348 HydrophobicContact CG2-CZ2 3.75Å
324S97.7Very high97.5Very high4 Ų436.7 Ų36.73%0.02818%0.177CC..Hα-helixtrans-64.4-37.6176.1-65.20000111.9F320 Y321 A327 R328F320-S324 WeakPolarHBondContact CE2-OG 3.42Å; F320-S324 VanDerWaalsContact O-CB 3.24Å; F320-S324 WeakPolarHBondContact O-CB 3.27Å; F320-S324 PolarHBondContact O-N 3.34Å; F320-S324 PolarHBondContact O-OG 2.94Å; Y321-S324 PolarHBondContact O-N 3.47Å; S324-A327 PolarHBondContact O-N 2.78Å; S324-R328 WeakPolarHBondContact O-CG 3.04Å; S324-R328 PolarHBondContact O-N 3.27Å; S324-R328 VanDerWaalsContact O-N 3.15Å
325N98.2Very high97.5Very high13 Ų1344.5 Ų44.57%0.0721%0.214CC..Hα-helixtrans-69.7-41.7174.9-82.5-6000112N286 F287 Y321 A322 V323 A327 R328 S329N286-N325 VanDerWaalsContact OD1-CB 3.25Å; N286-N325 WeakPolarHBondContact OD1-CB 3.39Å; F287-N325 WeakPolarHBondContact O-CB 3.14Å; Y321-N325 WeakPolarHBondContact CE1-ND2 2.94Å; Y321-N325 WeakPolarHBondContact O-CB 3.49Å; Y321-N325 PolarHBondContact O-N 2.93Å; Y321-N325 PolarHBondContact OH-ND2 2.6Å; Y321-N325 VanDerWaalsContact OH-ND2 3.12Å; A322-N325 PolarHBondContact O-N 3.27Å; V323-N325 VanDerWaalsContact C-N 3.3Å; V323-N325 PolarHBondContact O-N 3.5Å; N325-A327 VanDerWaalsContact C-N 3.29Å; N325-A327 PolarHBondContact O-N 3.05Å; N325-R328 PolarHBondContact O-N 3.29Å; N325-R328 VanDerWaalsContact O-N 3.12Å; N325-R328 PolarHBondContact OD1-NH1 3.3Å; N325-S329 WeakPolarHBondContact O-CB 3.23Å; N325-S329 PolarHBondContact O-N 3.42Å; N325-S329 PolarHBondContact O-OG 3.49Å
326A98.7Very high97.4Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-57-43.7171.800000111.3I7 L9 A322 V323 R328 S329 A330I7-A326 HydrophobicContact CB-CB 3.9Å; I7-A326 HydrophobicContact CG2-CB 3.64Å; L9-A326 HydrophobicContact CD1-CB 4.05Å; L9-A326 HydrophobicContact CG-CB 4.27Å; A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 2.89Å; V323-A326 WeakPolarHBondContact O-CB 3.3Å; V323-A326 PolarHBondContact O-N 2.61Å; A326-R328 PolarHBondContact O-N 3.31Å; A326-S329 CarbonylContact O-C 3.51Å; A326-S329 PolarHBondContact O-N 2.97Å; A326-A330 PolarHBondContact O-N 2.97Å
327A98.3Very high97.5Very high0 Ų044.2 Ų44.20%020%0.203CC..Hα-helixtrans-57.9-46.117400000112.1I7 V323 S324 N325 S329 A330 R337 L340 L341I7-A327 HydrophobicContact CD1-CB 3.44Å; I7-A327 VanDerWaalsContact CD1-CB 3.44Å; V323-A327 PolarHBondContact O-N 2.99Å; S324-A327 PolarHBondContact O-N 2.78Å; N325-A327 VanDerWaalsContact C-N 3.29Å; N325-A327 PolarHBondContact O-N 3.05Å; A327-S329 VanDerWaalsContact C-N 3.27Å; A327-S329 PolarHBondContact O-N 3.16Å; A327-A330 WeakPolarHBondContact O-CB 3.42Å; A327-A330 PolarHBondContact O-N 3.48Å; A327-R337 WeakPolarHBondContact O-CD 3.39Å; A327-R337 WeakPolarHBondContact O-CG 3.45Å; A327-L340 HydrophobicContact CB-CD2 4.38Å; A327-L340 HydrophobicContact CB-CG 4.23Å; A327-L341 HydrophobicContact CB-CB 4.06Å; A327-L341 HydrophobicContact CB-CD1 4.04Å
328R97.8Very high97.6Very high109 Ų10944 Ų4441%0.41120%0.202SC..Hα-helixtrans-70.6-20.8179.6-68.7-177.4-163.6105.9-3.1114.2S324 N325 A326 R337 L341S324-R328 WeakPolarHBondContact O-CG 3.04Å; S324-R328 PolarHBondContact O-N 3.27Å; S324-R328 VanDerWaalsContact O-N 3.15Å; N325-R328 PolarHBondContact O-N 3.29Å; N325-R328 VanDerWaalsContact O-N 3.12Å; N325-R328 PolarHBondContact OD1-NH1 3.3Å; A326-R328 PolarHBondContact O-N 3.31Å; R328-R337 VanDerWaalsContact O-CD 3.28Å; R328-R337 WeakPolarHBondContact O-CD 3.29Å; R328-L341 HydrophobicContact CG-CD2 3.98Å
329S98.5Very high97.6Very high20 Ų2045.8 Ų45.814%0.1422%0.22CC..Hα-helixtrans-107.15.1-179.3-62.30000113.1R231 H254 N286 N325 A326 A327R231-S329 VanDerWaalsContact CD-O 3.3Å; R231-S329 WeakPolarHBondContact CD-O 3.25Å; R231-S329 PolarHBondContact NH1-O 3.13Å; H254-S329 WeakPolarHBondContact CB-OG 3.44Å; H254-S329 VanDerWaalsContact CG-CB 3.42Å; H254-S329 VanDerWaalsContact ND1-CB 3.3Å; H254-S329 WeakPolarHBondContact ND1-CB 3.4Å; H254-S329 PolarHBondContact ND1-OG 3.18Å; H254-S329 VanDerWaalsContact ND1-OG 3.13Å; N286-S329 PolarHBondContact ND2-OG 2.81Å; N325-S329 WeakPolarHBondContact O-CB 3.23Å; N325-S329 PolarHBondContact O-N 3.42Å; N325-S329 PolarHBondContact O-OG 3.49Å; A326-S329 CarbonylContact O-C 3.51Å; A326-S329 PolarHBondContact O-N 2.97Å; A327-S329 VanDerWaalsContact C-N 3.27Å; A327-S329 PolarHBondContact O-N 3.16Å
330A98.6Very high97.6Very high2 Ų246.2 Ų46.22%0.01722%0.222CC..SBendtrans-60.8138.9167.800000110.1L9 Y92 E94 A326 A327 L332 L340L9-A330 HydrophobicContact CD2-CB 4.33Å; Y92-A330 HydrophobicContact CD1-CB 3.99Å; Y92-A330 HydrophobicContact CE1-CB 3.34Å; E94-A330 WeakPolarHBondContact OE1-CA 3.37Å; A326-A330 PolarHBondContact O-N 2.97Å; A327-A330 WeakPolarHBondContact O-CB 3.42Å; A327-A330 PolarHBondContact O-N 3.48Å; A330-L332 HydrophobicContact CB-CB 4.44Å; A330-L332 HydrophobicContact CB-CD1 4.16Å; A330-L332 HydrophobicContact CB-CG 4.11Å; A330-L332 PolarHBondContact O-N 2.78Å; A330-L340 HydrophobicContact CB-CD2 4.41Å
331F98.5Very high97.6Very high11 Ų1144.1 Ų44.15%0.04821%0.213CC..SBendtrans-7851.9174.1-64.9-36.1000111.2E94 L151 V178 H206 T208 E230 R231E94-F331 PolarHBondContact OE1-N 3.06Å; E94-F331 WeakPolarHBondContact OE2-CD2 3.42Å; L151-F331 HydrophobicContact CD2-CD2 3.91Å; L151-F331 HydrophobicContact CD2-CE2 4.12Å; V178-F331 HydrophobicContact CB-CB 3.92Å; V178-F331 WeakPolarHBondContact CG1-O 3.38Å; V178-F331 HydrophobicContact CG2-CB 3.9Å; V178-F331 HydrophobicContact CG2-CD2 4.46Å; H206-F331 HydrophobicContact CB-CB 4.06Å; H206-F331 HydrophobicContact CB-CD1 3.44Å; H206-F331 VanDerWaalsContact CB-CD1 3.44Å; H206-F331 HydrophobicContact CB-CD2 3.66Å; H206-F331 HydrophobicContact CB-CE1 3.63Å; H206-F331 HydrophobicContact CB-CE2 3.82Å; H206-F331 HydrophobicContact CB-CG 3.45Å; H206-F331 VanDerWaalsContact CB-CG 3.45Å; H206-F331 HydrophobicContact CB-CZ 3.8Å; H206-F331 AromaticContact CD2-CD1 3.96Å; H206-F331 AromaticContact CD2-CG 3.92Å; H206-F331 AromaticContact CG-CD1 3.37Å; H206-F331 AromaticContact CG-CE1 3.91Å; H206-F331 AromaticContact CG-CG 3.61Å; H206-F331 AromaticContact ND1-CD1 3.5Å; H206-F331 WeakPolarHBondContact ND1-CD1 3.2Å; H206-F331 AromaticContact ND1-CE1 3.88Å; T208-F331 HydrophobicContact CG2-CE2 4.41Å; E230-F331 HydrophobicContact CB-CE1 3.85Å; E230-F331 HydrophobicContact CB-CZ 4.21Å; R231-F331 HydrophobicContact CB-CZ 4.4Å; R231-F331 HydrophobicContact CG-CE1 3.94Å; R231-F331 HydrophobicContact CG-CZ 3.69Å; R231-F331 VanDerWaalsContact NH2-CE2 3.3Å
332L97.4Very high97.6Very high6 Ų644.3 Ų44.33%0.03122%0.22CC..SBendtrans-103.7153.9173.4-70.9177.9000109.8Y92 Q147 R149 A330 E336 R337 L340Y92-L332 HydrophobicContact CD2-CD1 3.98Å; Y92-L332 HydrophobicContact CE1-CD1 4.36Å; Y92-L332 HydrophobicContact CE1-CG 4.48Å; Y92-L332 HydrophobicContact CE2-CD1 3.67Å; Y92-L332 HydrophobicContact CE2-CD2 3.71Å; Y92-L332 HydrophobicContact CE2-CG 3.78Å; Y92-L332 HydrophobicContact CG-CD1 4.44Å; Q147-L332 VanDerWaalsContact NE2-CD2 3.32Å; R149-L332 HydrophobicContact CG-CD2 4.35Å; A330-L332 HydrophobicContact CB-CB 4.44Å; A330-L332 HydrophobicContact CB-CD1 4.16Å; A330-L332 HydrophobicContact CB-CG 4.11Å; A330-L332 PolarHBondContact O-N 2.78Å; L332-E336 HydrophobicContact CB-CB 4.03Å; L332-E336 HydrophobicContact CD1-CB 4.2Å; L332-E336 HydrophobicContact CD2-CB 4.36Å; L332-E336 HydrophobicContact CG-CB 4.43Å; L332-R337 HydrophobicContact CB-CB 4.16Å; L332-L340 HydrophobicContact CD1-CD2 3.81Å
333K95.4Very high97.5Very high140 Ų14047.5 Ų47.561%0.60923%0.234SC*.  trans-58.9151.2166.6-65.6-180-179.9178.10109.9E335 E336 R337K333-E335 PolarHBondContact O-N 3.44Å; K333-E335 VanDerWaalsContact O-N 3.12Å; K333-E336 PolarHBondContact O-N 3.27Å; K333-R337 WeakPolarHBondContact O-CB 3.39Å; K333-R337 PolarHBondContact O-N 2.7Å
334D95.9Very high97.3Very high105 Ų10547.3 Ų47.356%0.56123%0.233SC*.Hα-helixtrans-50.3-43.7-174.8-65.6-19.2000113R337 E338D334-R337 WeakPolarHBondContact O-CB 3.48Å; D334-R337 PolarHBondContact O-N 3.4Å; D334-R337 IonicContact OD1-CZ 3.83Å; D334-R337 VanDerWaalsContact OD1-CZ 3.32Å; D334-R337 IonicContact OD1-NH1 2.67Å; D334-R337 PolarHBondContact OD1-NH1 3.09Å; D334-R337 IonicContact OD1-NH2 3.13Å; D334-R337 PolarHBondContact OD1-NH2 2.76Å; D334-E338 WeakPolarHBondContact O-CG 3.48Å; D334-E338 PolarHBondContact O-N 3.13Å
335E97Very high97.2Very high170 Ų17051.9 Ų51.979%0.79425%0.252SS*.Hα-helixtrans-63.4-47.3178.9-65.2169.8-175.900113K333 R337 E338 A339K333-E335 PolarHBondContact O-N 3.44Å; K333-E335 VanDerWaalsContact O-N 3.12Å; E335-R337 VanDerWaalsContact C-N 3.28Å; E335-R337 PolarHBondContact O-N 3.29Å; E335-E338 PolarHBondContact O-N 2.62Å; E335-A339 WeakPolarHBondContact O-CB 3.42Å; E335-A339 PolarHBondContact O-N 3.11Å
336E96.5Very high97.1Very high68 Ų6860 Ų6032%0.31828%0.282SS..Hα-helixtrans-64.1-38.2176.9-70.3178.591.200110.7Q147 R149 L332 K333 A339 L340Q147-E336 PolarHBondContact NE2-OE1 2.91Å; R149-E336 IonicContact NH2-OE1 2.79Å; R149-E336 PolarHBondContact NH2-OE1 3.44Å; L332-E336 HydrophobicContact CB-CB 4.03Å; L332-E336 HydrophobicContact CD1-CB 4.2Å; L332-E336 HydrophobicContact CD2-CB 4.36Å; L332-E336 HydrophobicContact CG-CB 4.43Å; K333-E336 PolarHBondContact O-N 3.27Å; E336-A339 PolarHBondContact O-N 3.12Å; E336-L340 WeakPolarHBondContact O-CB 3.39Å; E336-L340 PolarHBondContact O-N 3.14Å
337R97.3Very high96.8Very high61 Ų6164.4 Ų64.423%0.2330%0.302CS..Hα-helixtrans-66.8-44.6179.4-160.9172.765.1-140.8-11.1112.6A327 R328 L332 K333 D334 E335 L340 L341A327-R337 WeakPolarHBondContact O-CD 3.39Å; A327-R337 WeakPolarHBondContact O-CG 3.45Å; R328-R337 VanDerWaalsContact O-CD 3.28Å; R328-R337 WeakPolarHBondContact O-CD 3.29Å; L332-R337 HydrophobicContact CB-CB 4.16Å; K333-R337 WeakPolarHBondContact O-CB 3.39Å; K333-R337 PolarHBondContact O-N 2.7Å; D334-R337 WeakPolarHBondContact O-CB 3.48Å; D334-R337 PolarHBondContact O-N 3.4Å; D334-R337 IonicContact OD1-CZ 3.83Å; D334-R337 VanDerWaalsContact OD1-CZ 3.32Å; D334-R337 IonicContact OD1-NH1 2.67Å; D334-R337 PolarHBondContact OD1-NH1 3.09Å; D334-R337 IonicContact OD1-NH2 3.13Å; D334-R337 PolarHBondContact OD1-NH2 2.76Å; E335-R337 VanDerWaalsContact C-N 3.28Å; E335-R337 PolarHBondContact O-N 3.29Å; R337-L340 PolarHBondContact O-N 3.38Å; R337-L341 WeakPolarHBondContact O-CB 3.44Å; R337-L341 PolarHBondContact O-N 2.73Å
338E97.1Very high96.6Very high98 Ų9864.8 Ų64.846%0.45830%0.304SS..Hα-helixtrans-67.1-36.9175.9-72.2-53.613800112.1D334 E335 S342D334-E338 WeakPolarHBondContact O-CG 3.48Å; D334-E338 PolarHBondContact O-N 3.13Å; E335-E338 PolarHBondContact O-N 2.62Å; E338-S342 VanDerWaalsContact O-CB 3.26Å; E338-S342 WeakPolarHBondContact O-CB 3.25Å; E338-S342 PolarHBondContact O-N 3.01Å; E338-S342 PolarHBondContact O-OG 3.34Å
339A97.3Very high95.7Very high59 Ų5963.5 Ų63.549%0.48831%0.309SS..Hα-helixtrans-63.5-44173.400000111.7E335 E336 S342 K343E335-A339 WeakPolarHBondContact O-CB 3.42Å; E335-A339 PolarHBondContact O-N 3.11Å; E336-A339 PolarHBondContact O-N 3.12Å; A339-S342 PolarHBondContact O-N 3.46Å; A339-K343 PolarHBondContact O-N 3.39Å
340L97.7Very high94.4Very high9 Ų975 Ų755%0.04736%0.357CS..Hα-helixtrans-61-50.5175.8178.560000111.4I7 I91 Y92 A327 A330 L332 E336 R337 S342 K343 V344I7-L340 HydrophobicContact CD1-CD1 3.98Å; I7-L340 HydrophobicContact CD1-CD2 3.76Å; I7-L340 HydrophobicContact CD1-CG 3.78Å; I7-L340 HydrophobicContact CG1-CD1 4.41Å; I91-L340 HydrophobicContact CD1-CD1 3.65Å; I91-L340 HydrophobicContact CG1-CD1 4.05Å; Y92-L340 HydrophobicContact CD1-CD2 3.67Å; Y92-L340 HydrophobicContact CD2-CD2 4.31Å; Y92-L340 HydrophobicContact CE1-CD2 4.47Å; Y92-L340 HydrophobicContact CG-CD2 3.58Å; A327-L340 HydrophobicContact CB-CD2 4.38Å; A327-L340 HydrophobicContact CB-CG 4.23Å; A330-L340 HydrophobicContact CB-CD2 4.41Å; L332-L340 HydrophobicContact CD1-CD2 3.81Å; E336-L340 WeakPolarHBondContact O-CB 3.39Å; E336-L340 PolarHBondContact O-N 3.14Å; R337-L340 PolarHBondContact O-N 3.38Å; L340-S342 VanDerWaalsContact C-N 3.28Å; L340-S342 PolarHBondContact O-N 3.29Å; L340-K343 WeakPolarHBondContact O-CB 3.28Å; L340-K343 PolarHBondContact O-N 2.93Å; L340-K343 VanDerWaalsContact O-N 3.09Å; L340-V344 PolarHBondContact O-N 3.32Å
341L97.3Very high94.1Very high4 Ų478.7 Ų78.72%0.02137%0.374CS..Hα-helixtrans-59.5-40.2177.4179.361.2000111.7A327 R328 R337 K343 V344 K345A327-L341 HydrophobicContact CB-CB 4.06Å; A327-L341 HydrophobicContact CB-CD1 4.04Å; R328-L341 HydrophobicContact CG-CD2 3.98Å; R337-L341 WeakPolarHBondContact O-CB 3.44Å; R337-L341 PolarHBondContact O-N 2.73Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.26Å; L341-V344 PolarHBondContact O-N 3Å; L341-K345 HydrophobicContact CD1-CD 4.49Å; L341-K345 HydrophobicContact CD1-CG 4.39Å; L341-K345 HydrophobicContact CG-CD 4.26Å; L341-K345 WeakPolarHBondContact O-CG 3.12Å; L341-K345 PolarHBondContact O-N 2.77Å
342S96.9Very high93.9Very high45 Ų4582.3 Ų82.332%0.31539%0.391SS..Hα-helixtrans-64.5-37.7176.2-64.60000112.3E338 A339 L340 R346E338-S342 VanDerWaalsContact O-CB 3.26Å; E338-S342 WeakPolarHBondContact O-CB 3.25Å; E338-S342 PolarHBondContact O-N 3.01Å; E338-S342 PolarHBondContact O-OG 3.34Å; A339-S342 PolarHBondContact O-N 3.46Å; L340-S342 VanDerWaalsContact C-N 3.28Å; L340-S342 PolarHBondContact O-N 3.29Å; S342-R346 WeakPolarHBondContact O-CG 3.24Å; S342-R346 PolarHBondContact O-N 2.94Å
343K96Very high93.7Very high69 Ų6986.5 Ų86.530%0.341%0.411SS..Hα-helixtrans-63.8-44.7174.8-172.3175175.2-175.10111.2I91 A339 L340 L341 R346 Q347I91-K343 HydrophobicContact CD1-CB 4.41Å; I91-K343 HydrophobicContact CD1-CD 3.87Å; I91-K343 HydrophobicContact CD1-CG 4.06Å; A339-K343 PolarHBondContact O-N 3.39Å; L340-K343 WeakPolarHBondContact O-CB 3.28Å; L340-K343 PolarHBondContact O-N 2.93Å; L340-K343 VanDerWaalsContact O-N 3.09Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.26Å; K343-R346 PolarHBondContact O-N 3.46Å; K343-Q347 PolarHBondContact O-N 3.47Å
344V96.1Very high93.6Very high0 Ų083.4 Ų83.40%040%0.4CS..Hα-helixtrans-58.2-53.8175172.50000110.8I7 I91 F320 V323 L340 L341 R346 Q347 W348I7-V344 HydrophobicContact CD1-CG2 3.83Å; I7-V344 HydrophobicContact CG1-CG2 4.47Å; I91-V344 HydrophobicContact CD1-CG2 3.99Å; F320-V344 HydrophobicContact CD2-CG1 4.19Å; F320-V344 HydrophobicContact CE2-CG1 3.91Å; V323-V344 HydrophobicContact CB-CG1 4.43Å; V323-V344 HydrophobicContact CG1-CB 4.49Å; V323-V344 HydrophobicContact CG1-CG1 3.66Å; V323-V344 HydrophobicContact CG1-CG2 3.91Å; L340-V344 PolarHBondContact O-N 3.32Å; L341-V344 PolarHBondContact O-N 3Å; V344-R346 PolarHBondContact O-N 2.84Å; V344-R346 VanDerWaalsContact O-N 3.17Å; V344-Q347 PolarHBondContact O-N 3.39Å; V344-Q347 VanDerWaalsContact O-N 3.13Å; V344-W348 HydrophobicContact CG1-CG 4.47Å; V344-W348 PolarHBondContact O-N 3.07Å; V344-W348 VanDerWaalsContact O-N 3.09Å
345K95.2Very high93.5Very high101 Ų10182 Ų8244%0.43939%0.39SS..Hα-helixtrans-58.8-29.9-177.7-73.1177.1178.2172.10114.4F320 L341F320-K345 HydrophobicContact CE2-CG 4.43Å; F320-K345 HydrophobicContact CZ-CG 4.03Å; L341-K345 HydrophobicContact CD1-CD 4.49Å; L341-K345 HydrophobicContact CD1-CG 4.39Å; L341-K345 HydrophobicContact CG-CD 4.26Å; L341-K345 WeakPolarHBondContact O-CG 3.12Å; L341-K345 PolarHBondContact O-N 2.77Å
346R94.7Very high93.2Very high182 Ų18276.1 Ų76.169%0.68736%0.363SS*.Hα-helixtrans-77.6-27.3179.7-75.1-172.1-57.8-102.11.9113.6S342 K343 V344S342-R346 WeakPolarHBondContact O-CG 3.24Å; S342-R346 PolarHBondContact O-N 2.94Å; K343-R346 PolarHBondContact O-N 3.46Å; V344-R346 PolarHBondContact O-N 2.84Å; V344-R346 VanDerWaalsContact O-N 3.17Å
347Q93.2Very high93Very high93 Ų9376.7 Ų76.744%0.43537%0.366SS..Hα-helixtrans-104.3-20.6-170.6-67.5-176.50.600113.1P5 K343 V344P5-Q347 HydrophobicContact CG-CB 3.73Å; P5-Q347 VanDerWaalsContact CG-OE1 3.26Å; K343-Q347 PolarHBondContact O-N 3.47Å; V344-Q347 PolarHBondContact O-N 3.39Å; V344-Q347 VanDerWaalsContact O-N 3.13Å
348W93.4Very high92.7Very high9 Ų977.9 Ų77.93%0.03438%0.376CS..SBendtrans-79139171.7-81.273.3000111.1M1 L4 P5 F305 D316 L319 F320 V323 V344M1-W348 HydrophobicContact CE-CH2 3.99Å; M1-W348 HydrophobicContact CE-CZ3 4.11Å; L4-W348 HydrophobicContact CB-CD2 4.48Å; L4-W348 HydrophobicContact CB-CZ2 4.02Å; L4-W348 HydrophobicContact CD1-CD2 4.18Å; L4-W348 HydrophobicContact CD1-CE3 3.86Å; L4-W348 HydrophobicContact CD1-CH2 4Å; L4-W348 HydrophobicContact CD1-CZ2 4.27Å; L4-W348 HydrophobicContact CD1-CZ3 3.78Å; P5-W348 PolarHBondContact O-NE1 3.38Å; F305-W348 AromaticContact CE2-CH2 3.86Å; F305-W348 HydrophobicContact CE2-CH2 3.86Å; F305-W348 AromaticContact CE2-CZ2 3.94Å; F305-W348 HydrophobicContact CE2-CZ2 3.94Å; D316-W348 VanDerWaalsContact O-CZ3 3.25Å; D316-W348 WeakPolarHBondContact O-CZ3 3.33Å; L319-W348 HydrophobicContact CB-CH2 3.69Å; L319-W348 HydrophobicContact CB-CZ3 3.95Å; F320-W348 HydrophobicContact CB-CD2 4.01Å; F320-W348 HydrophobicContact CB-CE3 3.48Å; F320-W348 VanDerWaalsContact CB-CE3 3.48Å; F320-W348 HydrophobicContact CB-CZ3 3.88Å; F320-W348 HydrophobicContact CD2-CB 3.4Å; F320-W348 AromaticContact CD2-CD2 3.7Å; F320-W348 HydrophobicContact CD2-CD2 3.7Å; F320-W348 HydrophobicContact CD2-CE3 4.05Å; F320-W348 AromaticContact CD2-CG 3.42Å; F320-W348 HydrophobicContact CD2-CG 3.42Å; F320-W348 VanDerWaalsContact CD2-CG 3.42Å; F320-W348 HydrophobicContact CE2-CB 3.65Å; F320-W348 AromaticContact CE2-CG 4Å; F320-W348 HydrophobicContact CE2-CG 4Å; F320-W348 HydrophobicContact CG-CB 4.25Å; F320-W348 HydrophobicContact CG-CD2 4.3Å; F320-W348 HydrophobicContact CG-CE3 4.19Å; F320-W348 HydrophobicContact CG-CG 4.36Å; V323-W348 HydrophobicContact CB-CZ2 4.29Å; V323-W348 HydrophobicContact CG2-CH2 4.39Å; V323-W348 HydrophobicContact CG2-CZ2 3.75Å; V344-W348 HydrophobicContact CG1-CG 4.47Å; V344-W348 PolarHBondContact O-N 3.07Å; V344-W348 VanDerWaalsContact O-N 3.09Å
349P80.7Confident92.3Very high81 Ų8176.3 Ų76.353%0.52637%0.37SS..  trans-62.3142.8175.825.1-31.8000110.5
350K69.5Low91.9Very high263 Ų26377.8 Ų77.8100%1.14336%0.359SS*.  trans-76.10-179.1-71-171.5179.4-179.20112.7

Retrieved 350 of 350 residues in 78.5 ms (Link to these results)

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