A0A077ZHJ2_TRITR Loading...

cellulose synthase (UDP-forming)

AlphaFold DB , UniProt , Accession A0A077ZHJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 499 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
1M84.4Confident94.1Very high157 Ų15793.1 Ų93.177%0.77345%0.452SS*.  0-51.60-66.1-50.6-76.600113.7W3 F4 V64M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 3.43Å; M1-W3 VanDerWaalsContact O-N 3.13Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 2.95Å; M1-V64 HydrophobicContact SD-CG1 4.26Å
2G93Very high94.4Very high51 Ų5185.5 Ų85.553%0.52642%0.415SS..Hα-helixtrans-52-37.1-177.100000115.4F4 L5 K6G2-F4 VanDerWaalsContact C-N 3.32Å; G2-F4 PolarHBondContact O-N 3.26Å; G2-L5 WeakPolarHBondContact O-CB 3.35Å; G2-L5 PolarHBondContact O-N 2.98Å; G2-K6 PolarHBondContact O-N 3.28Å
3W93.4Very high94.6Very high133 Ų13379.9 Ų79.950%0.50439%0.388SS..Hα-helixtrans-59.5-35.9175.4-70.8111.7000114.5M1 L5 K6 E7 L10 M13M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 3.43Å; M1-W3 VanDerWaalsContact O-N 3.13Å; W3-L5 VanDerWaalsContact C-N 3.25Å; W3-L5 PolarHBondContact O-N 3.33Å; W3-K6 HydrophobicContact CE3-CD 4.07Å; W3-K6 HydrophobicContact CZ3-CD 3.9Å; W3-K6 PolarHBondContact O-N 2.85Å; W3-E7 PolarHBondContact O-N 3.19Å; W3-L10 HydrophobicContact CB-CD2 3.88Å; W3-M13 HydrophobicContact CB-CE 3.53Å; W3-M13 HydrophobicContact CB-SD 4.37Å; W3-M13 VanDerWaalsContact CD1-CE 3.49Å; W3-M13 HydrophobicContact CG-CE 3.58Å; W3-M13 HydrophobicContact CG-SD 4.5Å
4F95.7Very high94.8Very high14 Ų1474.2 Ų74.26%0.06136%0.36CS..Hα-helixtrans-71.3-19.8174.9-70.1-85.4000112.9M1 G2 L10 M13 V64 R66M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 2.95Å; G2-F4 VanDerWaalsContact C-N 3.32Å; G2-F4 PolarHBondContact O-N 3.26Å; F4-L10 HydrophobicContact CD1-CB 4.34Å; F4-L10 HydrophobicContact CD1-CD2 4.02Å; F4-L10 HydrophobicContact CD1-CG 4.01Å; F4-L10 WeakPolarHBondContact CD1-O 3.29Å; F4-L10 HydrophobicContact CD2-CD2 4.35Å; F4-L10 HydrophobicContact CE1-CD2 4.12Å; F4-L10 HydrophobicContact CE1-CG 3.9Å; F4-L10 HydrophobicContact CE2-CD2 4.44Å; F4-L10 HydrophobicContact CG-CD2 4.14Å; F4-L10 HydrophobicContact CZ-CD2 4.32Å; F4-L10 HydrophobicContact CZ-CG 4.41Å; F4-M13 HydrophobicContact CE2-CB 3.64Å; F4-M13 HydrophobicContact CZ-CB 3.66Å; F4-V64 HydrophobicContact CE2-CB 3.97Å; F4-V64 HydrophobicContact CE2-CG1 3.83Å; F4-V64 HydrophobicContact CZ-CB 4.17Å; F4-V64 HydrophobicContact CZ-CG1 4.07Å; F4-V64 WeakPolarHBondContact CZ-O 3.41Å; F4-R66 HydrophobicContact CD1-CB 4.31Å; F4-R66 HydrophobicContact CE1-CB 4.22Å; F4-R66 PolarHBondContact O-NH1 2.99Å; F4-R66 PolarHBondContact O-NH2 2.9Å
5L94.7Very high94.8Very high149 Ų14970.1 Ų70.178%0.7834%0.342SS*.Hα-helixtrans-81.3-38.2172.2-61175.5000110.7G2 W3G2-L5 WeakPolarHBondContact O-CB 3.35Å; G2-L5 PolarHBondContact O-N 2.98Å; W3-L5 VanDerWaalsContact C-N 3.25Å; W3-L5 PolarHBondContact O-N 3.33Å
6K94.4Very high94.6Very high161 Ų16165.8 Ų65.870%0.732%0.321SS*.Hα-helixtrans-69.7-49.5179.2-175.2179.5176.9-177.80112.3G2 W3G2-K6 PolarHBondContact O-N 3.28Å; W3-K6 HydrophobicContact CE3-CD 4.07Å; W3-K6 HydrophobicContact CZ3-CD 3.9Å; W3-K6 PolarHBondContact O-N 2.85Å
7E94.6Very high94.5Very high85 Ų8564 Ų6440%0.39731%0.311SS..  trans-108.6110.7-176.7-17846.3-10800110.5W3 Q9 L10 R66W3-E7 PolarHBondContact O-N 3.19Å; E7-Q9 VanDerWaalsContact C-N 3.35Å; E7-Q9 WeakPolarHBondContact OE1-CB 3.49Å; E7-Q9 PolarHBondContact OE1-N 2.85Å; E7-L10 HydrophobicContact CB-CB 3.94Å; E7-L10 HydrophobicContact CG-CB 3.83Å; E7-L10 WeakPolarHBondContact O-CB 3.4Å; E7-L10 PolarHBondContact O-N 2.88Å; E7-R66 PolarHBondContact O-NH2 2.9Å
8K94.2Very high94.1Very high172 Ų17261.7 Ų61.775%0.74830%0.3SS*.THydrogen-bonded Turntrans-71.7-30.6-175.4-67.7-175.3-179.5178.40112.1L10K8-L10 VanDerWaalsContact C-N 3.31Å
9Q95.7Very high93.7Very high96 Ų9661.6 Ų61.645%0.44930%0.298SS..THydrogen-bonded Turntrans-83-7.8178.8-62-59.5-22.300113.4E7 A11 T97E7-Q9 VanDerWaalsContact C-N 3.35Å; E7-Q9 WeakPolarHBondContact OE1-CB 3.49Å; E7-Q9 PolarHBondContact OE1-N 2.85Å; Q9-A11 PolarHBondContact O-N 2.62Å; Q9-T97 VanDerWaalsContact C-OG1 3.29Å; Q9-T97 HydrophobicContact CB-CG2 4.2Å; Q9-T97 PolarHBondContact O-N 3.3Å; Q9-T97 PolarHBondContact O-OG1 3.14Å
10L97.7Very high93.3Very high6 Ų659.5 Ų59.53%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-65.5111.4177.1-17666.1000109.5W3 F4 E7 K8 M12 M13 R66 T97 A99W3-L10 HydrophobicContact CB-CD2 3.88Å; F4-L10 HydrophobicContact CD1-CB 4.34Å; F4-L10 HydrophobicContact CD1-CD2 4.02Å; F4-L10 HydrophobicContact CD1-CG 4.01Å; F4-L10 WeakPolarHBondContact CD1-O 3.29Å; F4-L10 HydrophobicContact CD2-CD2 4.35Å; F4-L10 HydrophobicContact CE1-CD2 4.12Å; F4-L10 HydrophobicContact CE1-CG 3.9Å; F4-L10 HydrophobicContact CE2-CD2 4.44Å; F4-L10 HydrophobicContact CG-CD2 4.14Å; F4-L10 HydrophobicContact CZ-CD2 4.32Å; F4-L10 HydrophobicContact CZ-CG 4.41Å; E7-L10 HydrophobicContact CB-CB 3.94Å; E7-L10 HydrophobicContact CG-CB 3.83Å; E7-L10 WeakPolarHBondContact O-CB 3.4Å; E7-L10 PolarHBondContact O-N 2.88Å; K8-L10 VanDerWaalsContact C-N 3.31Å; L10-M12 VanDerWaalsContact CD1-O 3.31Å; L10-M12 WeakPolarHBondContact CD1-O 3.11Å; L10-M13 HydrophobicContact CD2-CE 4.24Å; L10-R66 PolarHBondContact O-NE 3.21Å; L10-R66 PolarHBondContact O-NH2 2.79Å; L10-T97 VanDerWaalsContact CA-OG1 3.26Å; L10-T97 WeakPolarHBondContact CA-OG1 3.49Å; L10-T97 PolarHBondContact N-OG1 2.91Å; L10-A99 HydrophobicContact CD1-CB 3.6Å; L10-A99 HydrophobicContact CD2-CB 4.37Å
11A97.7Very high93Very high0 Ų056.7 Ų56.70%027%0.274CS..EExtended strand (participates in β ladder)trans-96.4-28.1178.200000112.6Q9 I65 R66 P69 L91 Y96 T97Q9-A11 PolarHBondContact O-N 2.62Å; A11-I65 CarbonylContact O-C 3.58Å; A11-I65 WeakPolarHBondContact O-CA 3.21Å; A11-R66 PolarHBondContact O-N 2.79Å; A11-P69 HydrophobicContact CB-CB 3.7Å; A11-P69 HydrophobicContact CB-CG 3.98Å; A11-L91 HydrophobicContact CB-CD1 4.19Å; A11-L91 HydrophobicContact CB-CD2 4.09Å; A11-Y96 HydrophobicContact CB-CD1 4.26Å; A11-Y96 HydrophobicContact CB-CG 3.94Å; A11-T97 PolarHBondContact N-O 2.92Å
12M97.1Very high93.1Very high2 Ų250.1 Ų50.11%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-147.7138.7-174.3-178.9-93.9-66.400112.1L10 Q14 T56 F58 V64 I65 L91 S98 A99L10-M12 VanDerWaalsContact CD1-O 3.31Å; L10-M12 WeakPolarHBondContact CD1-O 3.11Å; M12-Q14 HydrophobicContact SD-CB 3.88Å; M12-T56 WeakPolarHBondContact CE-O 3.41Å; M12-F58 HydrophobicContact CE-CB 3.85Å; M12-F58 HydrophobicContact CG-CB 4.31Å; M12-F58 HydrophobicContact SD-CB 4.18Å; M12-V64 WeakPolarHBondContact CA-O 3.17Å; M12-I65 HydrophobicContact CB-CG1 4.39Å; M12-I65 HydrophobicContact CG-CG1 3.9Å; M12-L91 HydrophobicContact CB-CD1 4.36Å; M12-S98 CarbonylContact O-C 3.55Å; M12-S98 WeakPolarHBondContact O-CA 3.39Å; M12-A99 PolarHBondContact O-N 3.49Å
13M96.9Very high92.9Very high13 Ų1348.2 Ų48.26%0.06422%0.221CC..EExtended strand (participates in β ladder)trans-125.2117.2173.7173.9159.2-79.600109W3 F4 L10 A63 V64 A99W3-M13 HydrophobicContact CB-CE 3.53Å; W3-M13 HydrophobicContact CB-SD 4.37Å; W3-M13 VanDerWaalsContact CD1-CE 3.49Å; W3-M13 HydrophobicContact CG-CE 3.58Å; W3-M13 HydrophobicContact CG-SD 4.5Å; F4-M13 HydrophobicContact CE2-CB 3.64Å; F4-M13 HydrophobicContact CZ-CB 3.66Å; L10-M13 HydrophobicContact CD2-CE 4.24Å; M13-A63 CarbonylContact O-C 3.51Å; M13-A63 WeakPolarHBondContact O-CA 3.4Å; M13-V64 PolarHBondContact N-O 2.68Å; M13-V64 PolarHBondContact O-N 3.03Å; M13-A99 CarbonylContact C-O 3.23Å; M13-A99 VanDerWaalsContact CA-O 3.29Å; M13-A99 WeakPolarHBondContact CA-O 3.38Å; M13-A99 HydrophobicContact CE-CB 3.66Å
14Q97.5Very high92.6Very high0 Ų041.9 Ų41.90%020%0.197CC..EExtended strand (participates in β ladder)trans-101.2144.5178.9-179.767.460.400110.2M12 T56 F57 S61 C62 A99 Y100 M101M12-Q14 HydrophobicContact SD-CB 3.88Å; Q14-T56 HydrophobicContact CB-CG2 3.74Å; Q14-T56 HydrophobicContact CG-CG2 4.49Å; Q14-F57 WeakPolarHBondContact CG-O 3.39Å; Q14-F57 PolarHBondContact OE1-O 3.47Å; Q14-S61 PolarHBondContact NE2-O 2.76Å; Q14-C62 PolarHBondContact NE2-O 2.98Å; Q14-A99 PolarHBondContact N-O 2.91Å; Q14-Y100 HydrophobicContact CB-CD2 4.01Å; Q14-Y100 HydrophobicContact CG-CD2 4.01Å; Q14-Y100 HydrophobicContact CG-CE2 4.06Å; Q14-Y100 WeakPolarHBondContact O-CD2 3.4Å; Q14-M101 PolarHBondContact O-N 3.02Å
15T94.6Very high92.3Very high13 Ų1341.2 Ų41.28%0.0819%0.194CC..  trans-120.3157.8168.270.80000110.6C62 M101 Q105T15-C62 PolarHBondContact N-O 2.88Å; T15-C62 WeakPolarHBondContact OG1-CB 3.44Å; T15-C62 PolarHBondContact OG1-O 3.26Å; T15-M101 HydrophobicContact CG2-CB 4.3Å; T15-M101 HydrophobicContact CG2-CE 3.63Å; T15-Q105 HydrophobicContact CG2-CG 3.99Å
16P92.6Very high92Very high1 Ų134.3 Ų34.31%0.00616%0.157CC..  trans-52.4142.3179.9-22.922.1000113.3H18 Y43 Y100 M101 P104P16-H18 PolarHBondContact O-N 3.36Å; P16-Y43 HydrophobicContact CB-CG 4.48Å; P16-Y100 WeakPolarHBondContact CA-OH 3.5Å; P16-Y100 WeakPolarHBondContact CD-OH 3.44Å; P16-Y100 WeakPolarHBondContact CG-OH 3.49Å; P16-M101 WeakPolarHBondContact CD-O 3.37Å; P16-P104 HydrophobicContact CB-CG 4.45Å; P16-P104 HydrophobicContact CG-CG 4.43Å
17H91.5Very high91.6Very high35 Ų3528 Ų2816%0.16213%0.129CC..  trans-80.5118158.9-68.1-168.8000108F19 Y43 C59 S61H17-F19 HydrophobicContact CB-CE2 4.09Å; H17-F19 HydrophobicContact CB-CZ 4.04Å; H17-Y43 HydrophobicContact CB-CD2 4.27Å; H17-Y43 HydrophobicContact CB-CE1 4.07Å; H17-Y43 HydrophobicContact CB-CE2 3.66Å; H17-Y43 AromaticContact CG-CE1 3.99Å; H17-Y43 AromaticContact CG-CZ 3.56Å; H17-Y43 VanDerWaalsContact CG-OH 3.25Å; H17-Y43 AromaticContact ND1-CZ 3.89Å; H17-Y43 PolarHBondContact ND1-OH 2.83Å; H17-Y43 VanDerWaalsContact ND1-OH 3.09Å; H17-C59 PolarHBondContact CE1-O 2.63Å; H17-C59 PolarHBondContact NE2-O 3.33Å; H17-S61 PolarHBondContact NE2-O 2.92Å
18H87.7Confident91.3Very high23 Ų2324.7 Ų24.711%0.10611%0.114CC..EExtended strand (participates in β ladder)trans-109.6138.8173.6-178.372000108.8P16 P104 A107 G108 W423 W426P16-H18 PolarHBondContact O-N 3.36Å; H18-P104 HydrophobicContact CB-CB 3.96Å; H18-P104 HydrophobicContact CB-CG 4.46Å; H18-A107 CarbonylContact O-C 3.55Å; H18-A107 VanDerWaalsContact O-CA 3.31Å; H18-A107 WeakPolarHBondContact O-CA 3.43Å; H18-G108 PolarHBondContact O-N 3.5Å; H18-W423 AromaticContact CD2-CE3 3.61Å; H18-W423 AromaticContact NE2-CE3 3.6Å; H18-W426 AromaticContact CE1-CD2 3.85Å; H18-W426 AromaticContact CE1-CE3 3.45Å; H18-W426 VanDerWaalsContact CE1-CE3 3.45Å; H18-W426 AromaticContact NE2-CD2 3.61Å; H18-W426 AromaticContact NE2-CE3 3.36Å; H18-W426 AromaticContact NE2-CG 3.99Å; H18-W426 AromaticContact NE2-CZ3 3.9Å
19F87.3Confident90.9Very high59 Ų5916.7 Ų16.726%0.2598%0.08SC..EExtended strand (participates in β ladder)trans-121.5128178.9-59.4-73000109.2H17 G108 L109 A110H17-F19 HydrophobicContact CB-CE2 4.09Å; H17-F19 HydrophobicContact CB-CZ 4.04Å; F19-G108 WeakPolarHBondContact CA-O 3.44Å; F19-L109 VanDerWaalsContact CD1-C 3.42Å; F19-L109 WeakPolarHBondContact CD1-O 3.21Å; F19-L109 WeakPolarHBondContact CE1-O 3.5Å; F19-A110 HydrophobicContact CB-CB 4.24Å; F19-A110 HydrophobicContact CD1-CB 4.47Å; F19-A110 HydrophobicContact CG-CB 4.31Å
20F85.6Confident90.3Very high20 Ų2014.4 Ų14.49%0.0888%0.082CC..SBendtrans-94.3-9.8178.967.1-91.1000113F32 A107 G108 L109 H326 V328 F417 W423 W426F20-F32 WeakPolarHBondContact O-CZ 3.32Å; F20-A107 HydrophobicContact CD1-CB 3.71Å; F20-A107 HydrophobicContact CE1-CB 4.45Å; F20-G108 WeakPolarHBondContact CD1-O 3.16Å; F20-G108 WeakPolarHBondContact CE1-O 3.49Å; F20-G108 PolarHBondContact N-O 3.21Å; F20-L109 HydrophobicContact CE1-CD2 3.93Å; F20-L109 HydrophobicContact CE1-CG 4.36Å; F20-L109 HydrophobicContact CE2-CD2 3.73Å; F20-L109 HydrophobicContact CZ-CD2 3.39Å; F20-L109 HydrophobicContact CZ-CG 4.12Å; F20-H326 HydrophobicContact CD2-CB 3.94Å; F20-H326 HydrophobicContact CE2-CB 3.65Å; F20-V328 HydrophobicContact CB-CG2 4.2Å; F20-V328 HydrophobicContact CD2-CG2 3.69Å; F20-V328 HydrophobicContact CE2-CG2 4.22Å; F20-V328 HydrophobicContact CG-CG2 4Å; F20-F417 HydrophobicContact CE1-CE1 4.45Å; F20-F417 HydrophobicContact CE2-CE1 4.46Å; F20-F417 HydrophobicContact CZ-CE1 4.13Å; F20-W423 HydrophobicContact CB-CH2 4.2Å; F20-W423 HydrophobicContact CB-CZ3 3.84Å; F20-W423 HydrophobicContact CD1-CH2 4.36Å; F20-W423 HydrophobicContact CG-CH2 4.41Å; F20-W426 HydrophobicContact CB-CH2 3.62Å; F20-W426 HydrophobicContact CB-CZ2 4.45Å; F20-W426 HydrophobicContact CB-CZ3 4.06Å
21S86.5Confident89.4Confident1 Ų116.3 Ų16.31%0.0079%0.088CC..SBendtrans-96.9145.216964.40000110.2L109 A110 H326S21-L109 WeakPolarHBondContact OG-CA 3.13Å; S21-A110 PolarHBondContact OG-N 3.03Å; S21-H326 VanDerWaalsContact CB-CD2 3.44Å; S21-H326 WeakPolarHBondContact CB-CD2 3.46Å; S21-H326 WeakPolarHBondContact CB-ND1 3.43Å
22P85.9Confident88.4Confident18 Ų1819.1 Ų19.112%0.11710%0.101CC..PPolyproline II helixtrans-61.5141.7172.925.7-33.8000111E26 R27 F32P22-E26 HydrophobicContact CB-CB 3.91Å; P22-R27 HydrophobicContact CB-CB 4.02Å; P22-R27 HydrophobicContact CG-CB 4.12Å; P22-R27 HydrophobicContact CG-CG 4.29Å; P22-F32 VanDerWaalsContact CA-CD2 3.49Å; P22-F32 HydrophobicContact CB-CB 3.99Å; P22-F32 HydrophobicContact CB-CD1 4.45Å; P22-F32 HydrophobicContact CB-CD2 3.43Å; P22-F32 VanDerWaalsContact CB-CD2 3.43Å; P22-F32 HydrophobicContact CB-CE2 3.96Å; P22-F32 HydrophobicContact CB-CG 3.71Å; P22-F32 HydrophobicContact CG-CD2 4.3Å; P22-F32 HydrophobicContact CG-CG 4.32Å
23D88.6Confident87.4Confident12 Ų1222.3 Ų22.36%0.06411%0.113CC..PPolyproline II helixtrans-72.3167.8161.572.747.2000110.9F25 E26 R27 A110D23-F25 PolarHBondContact O-N 3.22Å; D23-F25 WeakPolarHBondContact OD1-CA 3.4Å; D23-F25 VanDerWaalsContact OD1-CB 3.25Å; D23-F25 WeakPolarHBondContact OD1-CB 3.48Å; D23-F25 PolarHBondContact OD1-N 2.64Å; D23-E26 PolarHBondContact N-OE2 3.44Å; D23-E26 PolarHBondContact O-N 2.73Å; D23-E26 PolarHBondContact OD1-N 2.93Å; D23-R27 WeakPolarHBondContact O-CB 3.44Å; D23-R27 PolarHBondContact O-N 2.81Å; D23-A110 HydrophobicContact CB-CB 4.03Å
24P87.6Confident86.6Confident0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-60.9-29.2-177.7-27.137.8000114N28 T111 S113 L114 H117P24-N28 WeakPolarHBondContact O-CB 3.47Å; P24-N28 PolarHBondContact O-N 3.02Å; P24-N28 PolarHBondContact O-ND2 2.82Å; P24-T111 WeakPolarHBondContact CD-O 3.29Å; P24-T111 WeakPolarHBondContact CD-OG1 3.49Å; P24-T111 WeakPolarHBondContact CG-O 3.41Å; P24-S113 WeakPolarHBondContact CG-O 3.31Å; P24-L114 HydrophobicContact CB-CB 4.16Å; P24-L114 HydrophobicContact CB-CD1 4.39Å; P24-H117 HydrophobicContact CG-CB 3.95Å
25F89.5Confident85.9Confident0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-68.5-48.9175.3-64.8-104.8000110.1D23 R27 L29 L114 H117 I219 Y220 V223 V315D23-F25 PolarHBondContact O-N 3.22Å; D23-F25 WeakPolarHBondContact OD1-CA 3.4Å; D23-F25 VanDerWaalsContact OD1-CB 3.25Å; D23-F25 WeakPolarHBondContact OD1-CB 3.48Å; D23-F25 PolarHBondContact OD1-N 2.64Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 2.83Å; F25-L29 WeakPolarHBondContact O-CB 3.01Å; F25-L29 WeakPolarHBondContact O-CD1 3.33Å; F25-L29 WeakPolarHBondContact O-CG 3.43Å; F25-L29 PolarHBondContact O-N 2.97Å; F25-L29 VanDerWaalsContact O-N 3.14Å; F25-L114 HydrophobicContact CE2-CD1 4.37Å; F25-H117 AromaticContact CE2-CD2 3.69Å; F25-H117 AromaticContact CE2-NE2 3.56Å; F25-I219 HydrophobicContact CE1-CG2 4.48Å; F25-Y220 HydrophobicContact CB-CD1 4.47Å; F25-Y220 HydrophobicContact CB-CE1 3.6Å; F25-Y220 AromaticContact CD1-CD1 3.44Å; F25-Y220 HydrophobicContact CD1-CD1 3.44Å; F25-Y220 VanDerWaalsContact CD1-CD1 3.44Å; F25-Y220 AromaticContact CD1-CE1 3.42Å; F25-Y220 HydrophobicContact CD1-CE1 3.42Å; F25-Y220 VanDerWaalsContact CD1-CE1 3.42Å; F25-Y220 HydrophobicContact CD1-CG 4.36Å; F25-Y220 AromaticContact CD2-CD1 3.82Å; F25-Y220 HydrophobicContact CD2-CD1 3.82Å; F25-Y220 AromaticContact CD2-CE1 3.59Å; F25-Y220 HydrophobicContact CD2-CE1 3.59Å; F25-Y220 AromaticContact CE1-CD1 3.39Å; F25-Y220 HydrophobicContact CE1-CD1 3.39Å; F25-Y220 AromaticContact CE1-CE1 3.9Å; F25-Y220 HydrophobicContact CE1-CE1 3.9Å; F25-Y220 HydrophobicContact CE1-CG 4.17Å; F25-Y220 AromaticContact CE2-CD1 3.78Å; F25-Y220 HydrophobicContact CE2-CD1 3.78Å; F25-Y220 HydrophobicContact CE2-CE1 4.05Å; F25-Y220 AromaticContact CG-CD1 3.67Å; F25-Y220 HydrophobicContact CG-CD1 3.67Å; F25-Y220 AromaticContact CG-CE1 3.26Å; F25-Y220 HydrophobicContact CG-CE1 3.26Å; F25-Y220 AromaticContact CZ-CD1 3.57Å; F25-Y220 HydrophobicContact CZ-CD1 3.57Å; F25-Y220 HydrophobicContact CZ-CE1 4.19Å; F25-V223 HydrophobicContact CE1-CB 3.93Å; F25-V223 HydrophobicContact CE1-CG1 4.1Å; F25-V223 HydrophobicContact CE1-CG2 3.79Å; F25-V223 HydrophobicContact CZ-CB 3.85Å; F25-V223 HydrophobicContact CZ-CG1 3.66Å; F25-V223 HydrophobicContact CZ-CG2 4.2Å; F25-V315 HydrophobicContact CD1-CB 4.29Å; F25-V315 HydrophobicContact CD1-CG1 3.67Å; F25-V315 HydrophobicContact CD1-CG2 3.6Å; F25-V315 HydrophobicContact CD2-CG1 4.43Å; F25-V315 HydrophobicContact CE1-CG1 3.86Å; F25-V315 HydrophobicContact CE1-CG2 4.1Å; F25-V315 HydrophobicContact CG-CG1 3.96Å; F25-V315 HydrophobicContact CG-CG2 4.39Å; F25-V315 HydrophobicContact CZ-CG1 4.33Å
26E88Confident85.5Confident4 Ų428 Ų282%0.01914%0.137CC..Hα-helixtrans-60.4-42.5177.4-71.2-173.2108.100112.1P22 D23 G30 R31 F32 N37P22-E26 HydrophobicContact CB-CB 3.91Å; D23-E26 PolarHBondContact N-OE2 3.44Å; D23-E26 PolarHBondContact O-N 2.73Å; D23-E26 PolarHBondContact OD1-N 2.93Å; E26-G30 PolarHBondContact O-N 2.82Å; E26-G30 VanDerWaalsContact O-N 3.15Å; E26-R31 PolarHBondContact O-N 3.03Å; E26-F32 HydrophobicContact CB-CB 4.17Å; E26-F32 HydrophobicContact CB-CD2 4.34Å; E26-F32 PolarHBondContact O-N 3.02Å; E26-N37 HydrophobicContact CG-CB 4.22Å
27R87.1Confident85.2Confident27 Ų2728.9 Ų28.910%0.10214%0.142CC..Hα-helixtrans-70.3-52.2-177.5-166.2-17053.7-156.9-5.3112.1P22 D23 F25 L29 G30 E112 E318 S319P22-R27 HydrophobicContact CB-CB 4.02Å; P22-R27 HydrophobicContact CG-CB 4.12Å; P22-R27 HydrophobicContact CG-CG 4.29Å; D23-R27 WeakPolarHBondContact O-CB 3.44Å; D23-R27 PolarHBondContact O-N 2.81Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 2.83Å; R27-L29 VanDerWaalsContact C-N 3.25Å; R27-L29 PolarHBondContact O-N 3.45Å; R27-G30 PolarHBondContact O-N 3.46Å; R27-E112 PolarHBondContact NH1-O 2.81Å; R27-E112 PolarHBondContact NH2-O 2.83Å; R27-E318 IonicContact CZ-OE2 3.75Å; R27-E318 IonicContact NH2-OE2 3.27Å; R27-E318 PolarHBondContact NH2-OE2 2.84Å; R27-S319 WeakPolarHBondContact CG-OG 3.28Å; R27-S319 PolarHBondContact O-OG 2.83Å
28N87.8Confident84.9Confident17 Ų1728.3 Ų28.39%0.09114%0.139CC..Hα-helixtrans-72.8-23.7-172.9-63.1-6.6000111.5P24 V315 V317 E318 S319P24-N28 WeakPolarHBondContact O-CB 3.47Å; P24-N28 PolarHBondContact O-N 3.02Å; P24-N28 PolarHBondContact O-ND2 2.82Å; N28-V315 PolarHBondContact ND2-O 3.2Å; N28-V317 VanDerWaalsContact CB-O 3.24Å; N28-V317 WeakPolarHBondContact CB-O 3.26Å; N28-V317 PolarHBondContact ND2-O 2.88Å; N28-E318 PolarHBondContact ND2-OE2 3.06Å; N28-E318 PolarHBondContact OD1-OE2 3.08Å; N28-S319 PolarHBondContact OD1-N 2.85Å; N28-S319 VanDerWaalsContact OD1-N 3.15Å; N28-S319 PolarHBondContact OD1-OG 3.33Å
29L85.4Confident84.9Confident4 Ų428 Ų282%0.02114%0.143CC..Hα-helixtrans-96.4-6.2177.5-52.1176.7000113.9F25 R27 R31 W216 A314 V315 L445 R448F25-L29 WeakPolarHBondContact O-CB 3.01Å; F25-L29 WeakPolarHBondContact O-CD1 3.33Å; F25-L29 WeakPolarHBondContact O-CG 3.43Å; F25-L29 PolarHBondContact O-N 2.97Å; F25-L29 VanDerWaalsContact O-N 3.14Å; R27-L29 VanDerWaalsContact C-N 3.25Å; R27-L29 PolarHBondContact O-N 3.45Å; L29-R31 HydrophobicContact CB-CG 4.07Å; L29-W216 HydrophobicContact CD1-CH2 3.77Å; L29-W216 HydrophobicContact CD1-CZ3 3.51Å; L29-A314 HydrophobicContact CD2-CB 3.73Å; L29-V315 HydrophobicContact CD1-CG2 3.63Å; L29-V315 HydrophobicContact CD2-CB 4.46Å; L29-V315 HydrophobicContact CD2-CG2 3.66Å; L29-V315 HydrophobicContact CG-CG2 3.85Å; L29-L445 HydrophobicContact CB-CD1 4.01Å; L29-L445 HydrophobicContact CD1-CD1 4.18Å; L29-L445 HydrophobicContact CD1-CD2 3.57Å; L29-L445 HydrophobicContact CD1-CG 4.44Å; L29-L445 HydrophobicContact CD2-CD1 3.23Å; L29-L445 HydrophobicContact CD2-CD2 3.93Å; L29-L445 HydrophobicContact CD2-CG 3.92Å; L29-L445 HydrophobicContact CG-CD1 3.95Å; L29-L445 HydrophobicContact CG-CD2 4.26Å; L29-R448 PolarHBondContact O-NH1 3.29Å
30G82.8Confident85Confident47 Ų4726.4 Ų26.449%0.48514%0.137SC..THydrogen-bonded Turntrans67.534.2-179.400000113.6E26 R27E26-G30 PolarHBondContact O-N 2.82Å; E26-G30 VanDerWaalsContact O-N 3.15Å; R27-G30 PolarHBondContact O-N 3.46Å
31R80.6Confident85.2Confident46 Ų4626.3 Ų26.317%0.17414%0.138CC..  trans-114.63-171-69.9-81-176.7170.81.2114E26 L29 R33 K34 T35 W216 D441E26-R31 PolarHBondContact O-N 3.03Å; L29-R31 HydrophobicContact CB-CG 4.07Å; R31-R33 PolarHBondContact O-N 3.27Å; R31-K34 WeakPolarHBondContact O-CB 3.23Å; R31-K34 PolarHBondContact O-N 3.46Å; R31-T35 PolarHBondContact O-N 3.47Å; R31-W216 HydrophobicContact CB-CH2 4.49Å; R31-W216 HydrophobicContact CG-CH2 3.97Å; R31-W216 HydrophobicContact CG-CZ2 4.35Å; R31-D441 IonicContact CZ-OD1 2.66Å; R31-D441 IonicContact CZ-OD2 3.57Å; R31-D441 IonicContact NH1-OD1 3.56Å; R31-D441 IonicContact NH1-OD2 2.68Å; R31-D441 PolarHBondContact NH1-OD2 2.94Å; R31-D441 IonicContact NH2-OD1 2.99Å; R31-D441 PolarHBondContact NH2-OD1 3.47Å; R31-D441 IonicContact NH2-OD2 2.91Å; R31-D441 PolarHBondContact NH2-OD2 2.99Å; R31-D441 VanDerWaalsContact NH2-OD2 3.16Å
32F76.5Confident85.5Confident59 Ų5929.4 Ų29.426%0.25915%0.151SC..THydrogen-bonded Turntrans-48.8127.6175.4-174.4-125.8000111.6F20 P22 E26 K34 W426F20-F32 WeakPolarHBondContact O-CZ 3.32Å; P22-F32 VanDerWaalsContact CA-CD2 3.49Å; P22-F32 HydrophobicContact CB-CB 3.99Å; P22-F32 HydrophobicContact CB-CD1 4.45Å; P22-F32 HydrophobicContact CB-CD2 3.43Å; P22-F32 VanDerWaalsContact CB-CD2 3.43Å; P22-F32 HydrophobicContact CB-CE2 3.96Å; P22-F32 HydrophobicContact CB-CG 3.71Å; P22-F32 HydrophobicContact CG-CD2 4.3Å; P22-F32 HydrophobicContact CG-CG 4.32Å; E26-F32 HydrophobicContact CB-CB 4.17Å; E26-F32 HydrophobicContact CB-CD2 4.34Å; E26-F32 PolarHBondContact O-N 3.02Å; F32-K34 PolarHBondContact O-N 2.87Å; F32-W426 HydrophobicContact CZ-CZ3 4.34Å
33R76.1Confident85.8Confident69 Ų6929.5 Ų29.526%0.2615%0.149SC..THydrogen-bonded Turntrans60.55.6-177.2-60.1-179.4172.4-173.7-0.4116.7R31 E329R31-R33 PolarHBondContact O-N 3.27Å; R33-E329 IonicContact CZ-OE2 3.02Å; R33-E329 IonicContact NH1-OE1 3.59Å; R33-E329 IonicContact NH1-OE2 3.2Å; R33-E329 PolarHBondContact NH1-OE2 3.11Å
34K78.8Confident85.9Confident132 Ų13229 Ų2957%0.57415%0.147SC*.THydrogen-bonded Turntrans-96.5-30.2174.2-63.9178.8-178170.10112R31 F32R31-K34 WeakPolarHBondContact O-CB 3.23Å; R31-K34 PolarHBondContact O-N 3.46Å; F32-K34 PolarHBondContact O-N 2.87Å
35T82.9Confident86.1Confident5 Ų531.4 Ų31.43%0.03116%0.16CC..SBendtrans-134.1148.7-179.7530000109.3R31 N37 W216 Y430R31-T35 PolarHBondContact O-N 3.47Å; T35-N37 PolarHBondContact O-N 3.34Å; T35-W216 HydrophobicContact CG2-CZ2 4.45Å; T35-Y430 VanDerWaalsContact C-CE1 3.44Å; T35-Y430 VanDerWaalsContact O-CE1 3.27Å; T35-Y430 WeakPolarHBondContact O-CE1 3.48Å
36P85.9Confident86.3Confident9 Ų933.3 Ų33.36%0.05817%0.172CC..  trans-57.3135.7173.2-24.133.9000111.8T40 Y211 Y430P36-T40 HydrophobicContact CB-CG2 4.05Å; P36-Y211 WeakPolarHBondContact CB-O 3.47Å; P36-Y430 HydrophobicContact CG-CD1 4.3Å; P36-Y430 HydrophobicContact CG-CD2 4.31Å; P36-Y430 HydrophobicContact CG-CG 4Å
37N86.6Confident86.7Confident19 Ų1933.1 Ų33.110%0.10217%0.171CC..  trans-72.8170.3174.371.223000111.8E26 T35 G39 T40E26-N37 HydrophobicContact CG-CB 4.22Å; T35-N37 PolarHBondContact O-N 3.34Å; N37-G39 VanDerWaalsContact C-N 3.32Å; N37-G39 PolarHBondContact O-N 3.08Å; N37-G39 PolarHBondContact OD1-N 2.89Å; N37-T40 WeakPolarHBondContact O-CB 3.28Å; N37-T40 PolarHBondContact O-N 2.88Å; N37-T40 PolarHBondContact OD1-N 2.88Å; N37-T40 PolarHBondContact OD1-OG1 2.66Å
38E85.7Confident87Confident24 Ų2434.6 Ų34.611%0.11218%0.181CC..Hα-helixtrans-54.9-46-178.9-169.7-157.1168.300112.3T40 H117 R121 R212 Y220E38-T40 PolarHBondContact O-N 3.49Å; E38-H117 IonicContact OE2-CE1 3.01Å; E38-H117 IonicContact OE2-NE2 2.91Å; E38-H117 PolarHBondContact OE2-NE2 3.25Å; E38-R121 IonicContact OE1-CZ 3.99Å; E38-R121 IonicContact OE1-NE 3.77Å; E38-R121 PolarHBondContact OE1-NE 3.09Å; E38-R121 IonicContact OE1-NH2 3.65Å; E38-R121 IonicContact OE2-CZ 2.64Å; E38-R121 VanDerWaalsContact OE2-CZ 3.24Å; E38-R121 IonicContact OE2-NE 3.71Å; E38-R121 PolarHBondContact OE2-NE 2.79Å; E38-R121 IonicContact OE2-NH2 3.03Å; E38-R121 PolarHBondContact OE2-NH2 2.83Å; E38-R212 PolarHBondContact O-NH2 3.22Å; E38-Y220 HydrophobicContact CB-CD1 3.99Å; E38-Y220 HydrophobicContact CB-CE1 3.73Å; E38-Y220 HydrophobicContact CB-CE2 4.49Å; E38-Y220 HydrophobicContact CB-CG 4.5Å; E38-Y220 HydrophobicContact CG-CD1 4.03Å; E38-Y220 HydrophobicContact CG-CE1 4.29Å; E38-Y220 HydrophobicContact CG-CG 4.23Å
39G87.6Confident87.3Confident17 Ų1735.3 Ų35.318%0.17519%0.192CC..Hα-helixtrans-66.7-21.7-174.900000114.1N37 L41 F42 Y43N37-G39 VanDerWaalsContact C-N 3.32Å; N37-G39 PolarHBondContact O-N 3.08Å; N37-G39 PolarHBondContact OD1-N 2.89Å; G39-L41 VanDerWaalsContact C-N 3.3Å; G39-L41 PolarHBondContact O-N 2.85Å; G39-F42 PolarHBondContact O-N 3.19Å; G39-F42 VanDerWaalsContact O-N 3.08Å; G39-Y43 VanDerWaalsContact O-CD2 3.31Å; G39-Y43 WeakPolarHBondContact O-CD2 3.26Å; G39-Y43 PolarHBondContact O-N 3.02Å; G39-Y43 VanDerWaalsContact O-N 3.07Å
40T88.9Confident87.9Confident24 Ų2435.6 Ų35.615%0.14719%0.194CC..Hα-helixtrans-61.4-35.9-175.5-61.30000112.4P36 N37 E38 F42 G44 Y211P36-T40 HydrophobicContact CB-CG2 4.05Å; N37-T40 WeakPolarHBondContact O-CB 3.28Å; N37-T40 PolarHBondContact O-N 2.88Å; N37-T40 PolarHBondContact OD1-N 2.88Å; N37-T40 PolarHBondContact OD1-OG1 2.66Å; E38-T40 PolarHBondContact O-N 3.49Å; T40-F42 PolarHBondContact O-N 2.89Å; T40-G44 VanDerWaalsContact O-CA 3.23Å; T40-G44 WeakPolarHBondContact O-CA 3.44Å; T40-G44 PolarHBondContact O-N 3.31Å; T40-Y211 HydrophobicContact CG2-CD1 3.85Å; T40-Y211 HydrophobicContact CG2-CG 4.48Å
41L91Very high88.6Confident19 Ų1935.6 Ų35.610%0.09918%0.182CC..Hα-helixtrans-62.5-44.5174.5-176.764.7000112.1G39 L45 V46 Q208 R212G39-L41 VanDerWaalsContact C-N 3.3Å; G39-L41 PolarHBondContact O-N 2.85Å; L41-L45 HydrophobicContact CD1-CB 4.18Å; L41-L45 HydrophobicContact CD1-CD2 4.03Å; L41-L45 PolarHBondContact O-N 3.44Å; L41-V46 HydrophobicContact CG-CG2 4.28Å; L41-V46 PolarHBondContact O-N 3.32Å; L41-V46 VanDerWaalsContact O-N 3.1Å; L41-Q208 HydrophobicContact CD1-CB 3.75Å; L41-Q208 HydrophobicContact CD1-CG 4.31Å; L41-R212 HydrophobicContact CB-CB 4.33Å; L41-R212 VanDerWaalsContact CB-NH2 3.29Å; L41-R212 HydrophobicContact CD1-CB 4.4Å; L41-R212 VanDerWaalsContact CD2-NH1 3.29Å
42F93.4Very high89.3Confident65 Ų6540.5 Ų40.529%0.28521%0.209SC..Iπ-helixtrans-70.1-49.9-174.4-179.8-107.8000111.4G39 T40 V46 Q47 F57G39-F42 PolarHBondContact O-N 3.19Å; G39-F42 VanDerWaalsContact O-N 3.08Å; T40-F42 PolarHBondContact O-N 2.89Å; F42-V46 HydrophobicContact CD2-CB 3.96Å; F42-V46 HydrophobicContact CD2-CG1 3.92Å; F42-V46 HydrophobicContact CE2-CG1 4.15Å; F42-V46 PolarHBondContact O-N 3.44Å; F42-Q47 HydrophobicContact CD1-CG 4.06Å; F42-Q47 HydrophobicContact CE1-CG 3.66Å; F42-Q47 HydrophobicContact CE2-CG 4.17Å; F42-Q47 HydrophobicContact CZ-CG 3.73Å; F42-Q47 VanDerWaalsContact CZ-NE2 3.27Å; F42-Q47 WeakPolarHBondContact O-CB 3.4Å; F42-Q47 PolarHBondContact O-N 3.04Å; F42-F57 HydrophobicContact CE2-CD2 4.36Å; F42-F57 HydrophobicContact CZ-CD2 4.09Å
43Y92Very high90.3Very high20 Ų2044.6 Ų44.68%0.07822%0.223CC..Iπ-helixtrans-79.7-21.9-179.8-64.7-70000113.5P16 H17 G39 C59 Y100P16-Y43 HydrophobicContact CB-CG 4.48Å; H17-Y43 HydrophobicContact CB-CD2 4.27Å; H17-Y43 HydrophobicContact CB-CE1 4.07Å; H17-Y43 HydrophobicContact CB-CE2 3.66Å; H17-Y43 AromaticContact CG-CE1 3.99Å; H17-Y43 AromaticContact CG-CZ 3.56Å; H17-Y43 VanDerWaalsContact CG-OH 3.25Å; H17-Y43 AromaticContact ND1-CZ 3.89Å; H17-Y43 PolarHBondContact ND1-OH 2.83Å; H17-Y43 VanDerWaalsContact ND1-OH 3.09Å; G39-Y43 VanDerWaalsContact O-CD2 3.31Å; G39-Y43 WeakPolarHBondContact O-CD2 3.26Å; G39-Y43 PolarHBondContact O-N 3.02Å; G39-Y43 VanDerWaalsContact O-N 3.07Å; Y43-C59 HydrophobicContact CE1-CB 4.4Å; Y43-Y100 WeakPolarHBondContact CA-OH 3.34Å; Y43-Y100 WeakPolarHBondContact CB-OH 3.31Å; Y43-Y100 VanDerWaalsContact O-CE1 3.31Å; Y43-Y100 WeakPolarHBondContact O-CE1 3.11Å; Y43-Y100 PolarHBondContact O-OH 2.94Å
44G89.2Confident91.2Very high2 Ų242.5 Ų42.52%0.02122%0.217CC..Iπ-helixtrans-86.2-47.2179.100000113.2T40 R102T40-G44 VanDerWaalsContact O-CA 3.23Å; T40-G44 WeakPolarHBondContact O-CA 3.44Å; T40-G44 PolarHBondContact O-N 3.31Å; G44-R102 PolarHBondContact O-NE 3Å; G44-R102 PolarHBondContact O-NH1 3.33Å; G44-R102 PolarHBondContact O-NH2 2.89Å
45L91.6Very high92.1Very high50 Ų5036.2 Ų36.226%0.26219%0.189SC..Iπ-helixtrans-113.4-48.3-172.7-175.262.5000113L41 G49 I207 Q208 Y211L41-L45 HydrophobicContact CD1-CB 4.18Å; L41-L45 HydrophobicContact CD1-CD2 4.03Å; L41-L45 PolarHBondContact O-N 3.44Å; L45-G49 PolarHBondContact O-N 2.56Å; L45-I207 HydrophobicContact CD2-CG2 3.99Å; L45-Q208 HydrophobicContact CD2-CB 3.96Å; L45-Y211 HydrophobicContact CB-CD2 3.74Å; L45-Y211 HydrophobicContact CB-CE2 3.97Å; L45-Y211 HydrophobicContact CB-CG 4.38Å; L45-Y211 HydrophobicContact CD1-CE2 4.33Å; L45-Y211 HydrophobicContact CD2-CD2 4.45Å
46V94.7Very high92.8Very high41 Ų4136 Ų3625%0.24819%0.188CC..Iπ-helixtrans-72.1-47.2-168.6179.80000112.4L41 F42 D48 G49 N50L41-V46 HydrophobicContact CG-CG2 4.28Å; L41-V46 PolarHBondContact O-N 3.32Å; L41-V46 VanDerWaalsContact O-N 3.1Å; F42-V46 HydrophobicContact CD2-CB 3.96Å; F42-V46 HydrophobicContact CD2-CG1 3.92Å; F42-V46 HydrophobicContact CE2-CG1 4.15Å; F42-V46 PolarHBondContact O-N 3.44Å; V46-D48 VanDerWaalsContact C-N 3.3Å; V46-D48 PolarHBondContact O-N 3.4Å; V46-G49 CarbonylContact O-C 3.57Å; V46-G49 PolarHBondContact O-N 3.16Å; V46-N50 PolarHBondContact O-N 2.71Å; V46-N50 PolarHBondContact O-ND2 2.9Å
47Q95.4Very high93.2Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-64.3-37.3178.5-81.1-75.121.700112F42 N50 D51 F57 C59 Y100F42-Q47 HydrophobicContact CD1-CG 4.06Å; F42-Q47 HydrophobicContact CE1-CG 3.66Å; F42-Q47 HydrophobicContact CE2-CG 4.17Å; F42-Q47 HydrophobicContact CZ-CG 3.73Å; F42-Q47 VanDerWaalsContact CZ-NE2 3.27Å; F42-Q47 WeakPolarHBondContact O-CB 3.4Å; F42-Q47 PolarHBondContact O-N 3.04Å; Q47-N50 PolarHBondContact O-N 3.21Å; Q47-D51 WeakPolarHBondContact O-CB 3.39Å; Q47-D51 PolarHBondContact O-N 3.4Å; Q47-F57 PolarHBondContact NE2-O 2.9Å; Q47-F57 VanDerWaalsContact NE2-O 3.17Å; Q47-F57 VanDerWaalsContact OE1-N 3.16Å; Q47-C59 PolarHBondContact NE2-SG 2.98Å; Q47-Y100 HydrophobicContact CB-CD1 3.95Å; Q47-Y100 HydrophobicContact CB-CD2 4.01Å; Q47-Y100 HydrophobicContact CB-CE1 3.76Å; Q47-Y100 HydrophobicContact CB-CE2 3.88Å; Q47-Y100 HydrophobicContact CB-CG 4.05Å; Q47-Y100 HydrophobicContact CG-CE2 4.34Å
48D93.4Very high93.6Very high58 Ų5836.2 Ų36.231%0.3119%0.187SC..Hα-helixtrans-67-40.7174.5-161.288.8000111.9V46 N50 D51 M52 Y100 R102V46-D48 VanDerWaalsContact C-N 3.3Å; V46-D48 PolarHBondContact O-N 3.4Å; D48-N50 VanDerWaalsContact C-N 3.33Å; D48-N50 PolarHBondContact O-N 3.18Å; D48-D51 WeakPolarHBondContact O-CB 2.96Å; D48-D51 PolarHBondContact O-N 3Å; D48-M52 PolarHBondContact O-N 3.28Å; D48-Y100 HydrophobicContact CB-CD1 4.22Å; D48-Y100 HydrophobicContact CB-CE1 4.46Å; D48-R102 VanDerWaalsContact CG-CZ 3.43Å; D48-R102 VanDerWaalsContact CG-NE 3.3Å; D48-R102 IonicContact OD1-CZ 2.65Å; D48-R102 IonicContact OD1-NE 3.08Å; D48-R102 PolarHBondContact OD1-NE 3.18Å; D48-R102 IonicContact OD1-NH2 2.74Å; D48-R102 PolarHBondContact OD1-NH2 3.31Å; D48-R102 IonicContact OD2-CZ 3.32Å; D48-R102 IonicContact OD2-NE 3.73Å; D48-R102 IonicContact OD2-NH2 3.77Å; D48-R102 PolarHBondContact OD2-NH2 3.42Å
49G95.6Very high94.1Very high32 Ų3235.9 Ų35.933%0.3319%0.187SC..Hα-helixtrans-63.3-37171.500000113L45 V46 D51 M52L45-G49 PolarHBondContact O-N 2.56Å; V46-G49 CarbonylContact O-C 3.57Å; V46-G49 PolarHBondContact O-N 3.16Å; G49-D51 VanDerWaalsContact C-N 3.32Å; G49-M52 WeakPolarHBondContact O-CB 3.38Å
50N97.1Very high94.4Very high10 Ų1037 Ų375%0.05320%0.199CC..Hα-helixtrans-69.1-32.7174.2-69.3-24.2000112V46 Q47 D48 M52 W53 D54 A55 F57 C150V46-N50 PolarHBondContact O-N 2.71Å; V46-N50 PolarHBondContact O-ND2 2.9Å; Q47-N50 PolarHBondContact O-N 3.21Å; D48-N50 VanDerWaalsContact C-N 3.33Å; D48-N50 PolarHBondContact O-N 3.18Å; N50-M52 VanDerWaalsContact C-N 3.32Å; N50-M52 PolarHBondContact O-N 3.49Å; N50-W53 CarbonylContact O-C 3.59Å; N50-W53 WeakPolarHBondContact O-CA 3.13Å; N50-W53 PolarHBondContact O-N 2.97Å; N50-D54 PolarHBondContact O-N 2.95Å; N50-A55 HydrophobicContact CB-CB 4.31Å; N50-A55 PolarHBondContact O-N 3.03Å; N50-F57 WeakPolarHBondContact ND2-CE2 3.46Å; N50-C150 PolarHBondContact OD1-SG 2.76Å
51D97.1Very high94.7Very high47 Ų4739 Ų3925%0.25121%0.214SC..Hα-helixtrans-61.8-41.1177.8-160.347000112Q47 D48 G49 W53 D54 T56 A99 Y100Q47-D51 WeakPolarHBondContact O-CB 3.39Å; Q47-D51 PolarHBondContact O-N 3.4Å; D48-D51 WeakPolarHBondContact O-CB 2.96Å; D48-D51 PolarHBondContact O-N 3Å; G49-D51 VanDerWaalsContact C-N 3.32Å; D51-W53 PolarHBondContact O-N 3.13Å; D51-D54 PolarHBondContact O-N 2.87Å; D51-T56 VanDerWaalsContact CA-OG1 3.24Å; D51-T56 WeakPolarHBondContact CA-OG1 3.46Å; D51-T56 WeakPolarHBondContact CB-OG1 3.39Å; D51-T56 PolarHBondContact OD1-OG1 2.8Å; D51-A99 VanDerWaalsContact OD1-C 3.26Å; D51-A99 WeakPolarHBondContact OD1-CA 3.48Å; D51-Y100 PolarHBondContact OD1-N 2.9Å; D51-Y100 PolarHBondContact OD2-N 3.21Å
52M96.3Very high94.8Very high149 Ų14939.6 Ų39.673%0.73422%0.219SC*.THydrogen-bonded Turntrans-53.4-29.1172-176.763.4-175.500112.8D48 G49 N50D48-M52 PolarHBondContact O-N 3.28Å; G49-M52 WeakPolarHBondContact O-CB 3.38Å; N50-M52 VanDerWaalsContact C-N 3.32Å; N50-M52 PolarHBondContact O-N 3.49Å
53W96.6Very high95Very high145 Ų14538.1 Ų38.155%0.54922%0.219SC..THydrogen-bonded Turntrans-104.313.9-178.9-59.1114.6000114N50 D51 A55 A146N50-W53 CarbonylContact O-C 3.59Å; N50-W53 WeakPolarHBondContact O-CA 3.13Å; N50-W53 PolarHBondContact O-N 2.97Å; D51-W53 PolarHBondContact O-N 3.13Å; W53-A55 HydrophobicContact CB-CB 4.5Å; W53-A55 PolarHBondContact O-N 2.85Å; W53-A146 HydrophobicContact CB-CB 3.95Å; W53-A146 HydrophobicContact CD2-CB 3.86Å; W53-A146 HydrophobicContact CE3-CB 3.54Å; W53-A146 HydrophobicContact CG-CB 4.05Å; W53-A146 HydrophobicContact CZ3-CB 4.32Å
54D96Very high95.2Very high24 Ų2440.5 Ų40.513%0.12824%0.236CC..THydrogen-bonded Turntrans55.641.9-178.3-177.231.9000111.7N50 D51 H92 T97 S98 K144 Q147N50-D54 PolarHBondContact O-N 2.95Å; D51-D54 PolarHBondContact O-N 2.87Å; D54-H92 PolarHBondContact O-NE2 2.78Å; D54-T97 WeakPolarHBondContact OD1-CA 3.45Å; D54-T97 WeakPolarHBondContact OD1-CB 3.06Å; D54-S98 PolarHBondContact OD1-N 3.25Å; D54-K144 IonicContact OD2-NZ 3.89Å; D54-K144 PolarHBondContact OD2-NZ 3.21Å; D54-Q147 WeakPolarHBondContact O-CG 3.37Å; D54-Q147 PolarHBondContact O-NE2 2.94Å; D54-Q147 PolarHBondContact OD2-NE2 2.79Å
55A97.4Very high95.5Very high0 Ų042.5 Ų42.50%025%0.245CC..  trans-131.720.4-171.800000113.1N50 W53 F57 Q147 C150N50-A55 HydrophobicContact CB-CB 4.31Å; N50-A55 PolarHBondContact O-N 3.03Å; W53-A55 HydrophobicContact CB-CB 4.5Å; W53-A55 PolarHBondContact O-N 2.85Å; A55-F57 PolarHBondContact O-N 2.75Å; A55-Q147 HydrophobicContact CB-CB 4.44Å; A55-Q147 HydrophobicContact CB-CG 4.1Å; A55-C150 HydrophobicContact CB-CB 3.54Å
56T97.5Very high95.8Very high0 Ų043.4 Ų43.40%025%0.245CC..PPolyproline II helixtrans-57.6130.4176-63.70000110.4M12 Q14 D51 H92 S98 Y100M12-T56 WeakPolarHBondContact CE-O 3.41Å; Q14-T56 HydrophobicContact CB-CG2 3.74Å; Q14-T56 HydrophobicContact CG-CG2 4.49Å; D51-T56 VanDerWaalsContact CA-OG1 3.24Å; D51-T56 WeakPolarHBondContact CA-OG1 3.46Å; D51-T56 WeakPolarHBondContact CB-OG1 3.39Å; D51-T56 PolarHBondContact OD1-OG1 2.8Å; T56-H92 PolarHBondContact O-CE1 3.26Å; T56-S98 WeakPolarHBondContact CB-OG 3.27Å; T56-S98 PolarHBondContact N-OG 3.47Å; T56-S98 VanDerWaalsContact N-OG 3.1Å; T56-S98 PolarHBondContact O-OG 3.1Å; T56-Y100 HydrophobicContact CG2-CD2 4.11Å; T56-Y100 HydrophobicContact CG2-CG 4.34Å
57F93.2Very high95.9Very high8 Ų849.5 Ų49.54%0.03526%0.264CS..PPolyproline II helixtrans-93.4139.5-179.7-49.3-65.7000111.9Q14 F42 Q47 N50 A55 C59 C150 Y151 A154Q14-F57 WeakPolarHBondContact CG-O 3.39Å; Q14-F57 PolarHBondContact OE1-O 3.47Å; F42-F57 HydrophobicContact CE2-CD2 4.36Å; F42-F57 HydrophobicContact CZ-CD2 4.09Å; Q47-F57 PolarHBondContact NE2-O 2.9Å; Q47-F57 VanDerWaalsContact NE2-O 3.17Å; Q47-F57 VanDerWaalsContact OE1-N 3.16Å; N50-F57 WeakPolarHBondContact ND2-CE2 3.46Å; A55-F57 PolarHBondContact O-N 2.75Å; F57-C59 PolarHBondContact O-SG 3.17Å; F57-C150 HydrophobicContact CZ-CB 4.43Å; F57-Y151 HydrophobicContact CD1-CD1 4.09Å; F57-Y151 AromaticContact CD1-CE1 3.53Å; F57-Y151 HydrophobicContact CD1-CE1 3.53Å; F57-Y151 AromaticContact CD1-CZ 3.82Å; F57-Y151 AromaticContact CE1-CD1 3.38Å; F57-Y151 HydrophobicContact CE1-CD1 3.38Å; F57-Y151 HydrophobicContact CE1-CD2 4.21Å; F57-Y151 AromaticContact CE1-CE1 3.27Å; F57-Y151 HydrophobicContact CE1-CE1 3.27Å; F57-Y151 HydrophobicContact CE1-CE2 4.09Å; F57-Y151 AromaticContact CE1-CG 3.85Å; F57-Y151 HydrophobicContact CE1-CG 3.85Å; F57-Y151 AromaticContact CE1-CZ 3.6Å; F57-Y151 HydrophobicContact CZ-CD1 4.28Å; F57-Y151 HydrophobicContact CZ-CE1 4.49Å; F57-A154 HydrophobicContact CE2-CB 3.81Å; F57-A154 HydrophobicContact CZ-CB 3.8Å
58F96.9Very high96Very high25 Ų2556.4 Ų56.411%0.1129%0.294CS..PPolyproline II helixtrans-69.8124.5161.9173.5-138.7000108.6M12 G60 A63 I65 I76 D84 A85 S88M12-F58 HydrophobicContact CE-CB 3.85Å; M12-F58 HydrophobicContact CG-CB 4.31Å; M12-F58 HydrophobicContact SD-CB 4.18Å; F58-G60 VanDerWaalsContact CE2-C 3.47Å; F58-G60 VanDerWaalsContact CE2-CA 3.44Å; F58-G60 VanDerWaalsContact CE2-N 3.3Å; F58-G60 VanDerWaalsContact CZ-CA 3.4Å; F58-A63 HydrophobicContact CD2-CB 3.57Å; F58-A63 HydrophobicContact CE2-CB 3.78Å; F58-I65 HydrophobicContact CD1-CD1 3.93Å; F58-I65 HydrophobicContact CD2-CD1 4.27Å; F58-I65 HydrophobicContact CE1-CD1 3.94Å; F58-I65 HydrophobicContact CE2-CD1 4.27Å; F58-I65 HydrophobicContact CG-CD1 4.12Å; F58-I65 HydrophobicContact CZ-CD1 4.11Å; F58-I76 HydrophobicContact CE1-CD1 4.28Å; F58-D84 VanDerWaalsContact CD1-CA 3.43Å; F58-D84 HydrophobicContact CD1-CB 3.61Å; F58-D84 HydrophobicContact CE1-CB 3.74Å; F58-D84 HydrophobicContact CG-CB 4.11Å; F58-D84 HydrophobicContact CZ-CB 4.37Å; F58-D84 CarbonylContact O-C 3.59Å; F58-D84 WeakPolarHBondContact O-CB 3.41Å; F58-A85 PolarHBondContact O-N 3.46Å; F58-S88 WeakPolarHBondContact CA-OG 3.09Å; F58-S88 WeakPolarHBondContact CB-OG 3.25Å; F58-S88 PolarHBondContact N-OG 2.82Å
59C95.1Very high96.2Very high17 Ų1753.8 Ų53.812%0.11528%0.28CS..  trans-10825.2-174.8-54.10000112.5H17 Y43 Q47 F57 S61 D84H17-C59 PolarHBondContact CE1-O 2.63Å; H17-C59 PolarHBondContact NE2-O 3.33Å; Y43-C59 HydrophobicContact CE1-CB 4.4Å; Q47-C59 PolarHBondContact NE2-SG 2.98Å; F57-C59 PolarHBondContact O-SG 3.17Å; C59-S61 PolarHBondContact O-N 3.1Å; C59-D84 WeakPolarHBondContact CA-OD2 3.36Å
60G94.1Very high96.3Very high40 Ų4053.2 Ų53.241%0.41227%0.269SS..SBendtrans81.1-20.9174.800000115.4F58 D84F58-G60 VanDerWaalsContact CE2-C 3.47Å; F58-G60 VanDerWaalsContact CE2-CA 3.44Å; F58-G60 VanDerWaalsContact CE2-N 3.3Å; F58-G60 VanDerWaalsContact CZ-CA 3.4Å; G60-D84 VanDerWaalsContact N-CB 3.27Å; G60-D84 PolarHBondContact N-OD2 3.38Å; G60-D84 VanDerWaalsContact N-OD2 3.12Å
61S94.6Very high96.3Very high68 Ų6856.5 Ų56.548%0.47629%0.287SS..SBendtrans-148.8173.4176.2-170.50000111Q14 H17 C59 A63Q14-S61 PolarHBondContact NE2-O 2.76Å; H17-S61 PolarHBondContact NE2-O 2.92Å; C59-S61 PolarHBondContact O-N 3.1Å; S61-A63 VanDerWaalsContact C-N 3.27Å; S61-A63 PolarHBondContact O-N 3.29Å
62C94.4Very high96.3Very high31 Ų3157.7 Ų57.721%0.20929%0.291CS..SBendtrans56.340179.5-55.50000112.6Q14 T15Q14-C62 PolarHBondContact NE2-O 2.98Å; T15-C62 PolarHBondContact N-O 2.88Å; T15-C62 WeakPolarHBondContact OG1-CB 3.44Å; T15-C62 PolarHBondContact OG1-O 3.26Å
63A96.1Very high96.3Very high34 Ų3451.7 Ų51.728%0.28126%0.261SS..EExtended strand (participates in β ladder)trans-138.2154.8-178.300000111.9M13 F58 S61M13-A63 CarbonylContact O-C 3.51Å; M13-A63 WeakPolarHBondContact O-CA 3.4Å; F58-A63 HydrophobicContact CD2-CB 3.57Å; F58-A63 HydrophobicContact CE2-CB 3.78Å; S61-A63 VanDerWaalsContact C-N 3.27Å; S61-A63 PolarHBondContact O-N 3.29Å
64V96.5Very high96.4Very high70 Ų7048.1 Ų48.142%0.42427%0.27SS..EExtended strand (participates in β ladder)trans-117.4131169.2-178.40000107.7M1 F4 M12 M13M1-V64 HydrophobicContact SD-CG1 4.26Å; F4-V64 HydrophobicContact CE2-CB 3.97Å; F4-V64 HydrophobicContact CE2-CG1 3.83Å; F4-V64 HydrophobicContact CZ-CB 4.17Å; F4-V64 HydrophobicContact CZ-CG1 4.07Å; F4-V64 WeakPolarHBondContact CZ-O 3.41Å; M12-V64 WeakPolarHBondContact CA-O 3.17Å; M13-V64 PolarHBondContact N-O 2.68Å; M13-V64 PolarHBondContact O-N 3.03Å
65I96.8Very high96.4Very high43 Ų4347.7 Ų47.722%0.22127%0.271CS..EExtended strand (participates in β ladder)trans-121.9133.7-179-54.5176.8000108.9A11 M12 F58 R67 L70A11-I65 CarbonylContact O-C 3.58Å; A11-I65 WeakPolarHBondContact O-CA 3.21Å; M12-I65 HydrophobicContact CB-CG1 4.39Å; M12-I65 HydrophobicContact CG-CG1 3.9Å; F58-I65 HydrophobicContact CD1-CD1 3.93Å; F58-I65 HydrophobicContact CD2-CD1 4.27Å; F58-I65 HydrophobicContact CE1-CD1 3.94Å; F58-I65 HydrophobicContact CE2-CD1 4.27Å; F58-I65 HydrophobicContact CG-CD1 4.12Å; F58-I65 HydrophobicContact CZ-CD1 4.11Å; I65-R67 PolarHBondContact O-N 2.91Å; I65-L70 HydrophobicContact CG2-CB 4.08Å; I65-L70 HydrophobicContact CG2-CD2 4.27Å
66R96.9Very high96.4Very high70 Ų7050.9 Ų50.926%0.26429%0.287SS..  trans-72.1125.6175-168.8-174.7-59.6-92.111.9109.3F4 E7 L10 A11 K68 P69 L70F4-R66 HydrophobicContact CD1-CB 4.31Å; F4-R66 HydrophobicContact CE1-CB 4.22Å; F4-R66 PolarHBondContact O-NH1 2.99Å; F4-R66 PolarHBondContact O-NH2 2.9Å; E7-R66 PolarHBondContact O-NH2 2.9Å; L10-R66 PolarHBondContact O-NE 3.21Å; L10-R66 PolarHBondContact O-NH2 2.79Å; A11-R66 PolarHBondContact O-N 2.79Å; R66-K68 PolarHBondContact O-N 3.06Å; R66-P69 HydrophobicContact CB-CG 4.03Å; R66-P69 HydrophobicContact CG-CG 4.13Å; R66-P69 WeakPolarHBondContact O-CD 3.5Å; R66-L70 PolarHBondContact O-N 2.88Å
67R97Very high96.3Very high169 Ų16950.9 Ų50.964%0.63829%0.287SS*.Hα-helixtrans-58.4-47-175.2-176.664.3-166.4-154.510.4113.9I65 L70 D71I65-R67 PolarHBondContact O-N 2.91Å; R67-L70 WeakPolarHBondContact O-CB 3.25Å; R67-L70 PolarHBondContact O-N 3.25Å; R67-D71 WeakPolarHBondContact CG-OD2 3.37Å; R67-D71 IonicContact CZ-OD1 2.9Å; R67-D71 IonicContact CZ-OD2 3.31Å; R67-D71 VanDerWaalsContact NE-CG 3.29Å; R67-D71 IonicContact NE-OD1 3.54Å; R67-D71 PolarHBondContact NE-OD1 3.07Å; R67-D71 IonicContact NE-OD2 3.62Å; R67-D71 PolarHBondContact NE-OD2 3.4Å; R67-D71 IonicContact NH2-OD1 3.51Å; R67-D71 PolarHBondContact NH2-OD1 2.92Å; R67-D71 IonicContact NH2-OD2 3.4Å; R67-D71 PolarHBondContact O-N 3.34Å
68K97Very high96.3Very high145 Ų14556.1 Ų56.163%0.6332%0.32SS*.Hα-helixtrans-59.4-54.7-177172.9-179.4178.5-177.50113.2R66 L70 D71 E72R66-K68 PolarHBondContact O-N 3.06Å; K68-L70 PolarHBondContact O-N 3.37Å; K68-D71 PolarHBondContact O-N 3.3Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.48Å; K68-E72 PolarHBondContact O-N 2.77Å
69P97.4Very high96Very high2 Ų259.3 Ų59.31%0.01334%0.335CS..Hα-helixtrans-54.4-38.4173.1-30.737.1000113.9A11 R66 E72 I73 L91 Y96A11-P69 HydrophobicContact CB-CB 3.7Å; A11-P69 HydrophobicContact CB-CG 3.98Å; R66-P69 HydrophobicContact CB-CG 4.03Å; R66-P69 HydrophobicContact CG-CG 4.13Å; R66-P69 WeakPolarHBondContact O-CD 3.5Å; P69-E72 PolarHBondContact O-N 3.22Å; P69-I73 PolarHBondContact O-N 2.78Å; P69-L91 HydrophobicContact CB-CD2 3.84Å; P69-Y96 HydrophobicContact CB-CD1 4.03Å; P69-Y96 HydrophobicContact CB-CD2 3.77Å; P69-Y96 HydrophobicContact CB-CE1 3.89Å; P69-Y96 HydrophobicContact CB-CE2 3.62Å; P69-Y96 HydrophobicContact CB-CG 3.97Å; P69-Y96 HydrophobicContact CG-CD1 3.9Å; P69-Y96 HydrophobicContact CG-CE1 3.58Å; P69-Y96 HydrophobicContact CG-CE2 4.22Å; P69-Y96 HydrophobicContact CG-CG 4.35Å
70L97.7Very high95.8Very high21 Ų2159 Ų5911%0.1133%0.332CS..Hα-helixtrans-64.5-45.5177.6-178.763.5000111.8I65 R66 R67 K68 E72 I73 G74 G75 I76 T87I65-L70 HydrophobicContact CG2-CB 4.08Å; I65-L70 HydrophobicContact CG2-CD2 4.27Å; R66-L70 PolarHBondContact O-N 2.88Å; R67-L70 WeakPolarHBondContact O-CB 3.25Å; R67-L70 PolarHBondContact O-N 3.25Å; K68-L70 PolarHBondContact O-N 3.37Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.29Å; L70-I73 HydrophobicContact CD1-CD1 4.27Å; L70-I73 HydrophobicContact CD1-CG1 4.45Å; L70-I73 WeakPolarHBondContact O-CG1 3.44Å; L70-I73 PolarHBondContact O-N 2.95Å; L70-G74 PolarHBondContact O-N 2.87Å; L70-G75 VanDerWaalsContact CD1-C 3.49Å; L70-G75 WeakPolarHBondContact CD1-O 3.46Å; L70-G75 WeakPolarHBondContact O-CA 3.4Å; L70-G75 PolarHBondContact O-N 3.32Å; L70-I76 HydrophobicContact CD1-CD1 3.94Å; L70-I76 HydrophobicContact CD1-CG1 4.5Å; L70-I76 HydrophobicContact CD2-CD1 4.43Å; L70-T87 HydrophobicContact CD1-CG2 3.86Å
71D98Very high95.6Very high79 Ų7959.1 Ų59.142%0.42233%0.325SS..Hα-helixtrans-64.3-36.7177-69.4-33.6000111.5R67 K68 I73 G74R67-D71 WeakPolarHBondContact CG-OD2 3.37Å; R67-D71 IonicContact CZ-OD1 2.9Å; R67-D71 IonicContact CZ-OD2 3.31Å; R67-D71 VanDerWaalsContact NE-CG 3.29Å; R67-D71 IonicContact NE-OD1 3.54Å; R67-D71 PolarHBondContact NE-OD1 3.07Å; R67-D71 IonicContact NE-OD2 3.62Å; R67-D71 PolarHBondContact NE-OD2 3.4Å; R67-D71 IonicContact NH2-OD1 3.51Å; R67-D71 PolarHBondContact NH2-OD1 2.92Å; R67-D71 IonicContact NH2-OD2 3.4Å; R67-D71 PolarHBondContact O-N 3.34Å; K68-D71 PolarHBondContact O-N 3.3Å; D71-I73 VanDerWaalsContact C-N 3.27Å; D71-I73 PolarHBondContact O-N 2.89Å; D71-G74 PolarHBondContact O-N 2.78Å
72E97.4Very high95.6Very high71 Ų7156 Ų5633%0.33230%0.304SS..Hα-helixtrans-65.6-24.9178.5-74.5-178.3-160.200114.6K68 P69 L70 G74 R94 Y96K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.48Å; K68-E72 PolarHBondContact O-N 2.77Å; P69-E72 PolarHBondContact O-N 3.22Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.29Å; E72-G74 VanDerWaalsContact C-N 3.35Å; E72-R94 IonicContact OE2-NE 2.79Å; E72-Y96 PolarHBondContact OE1-OH 3.45Å; E72-Y96 PolarHBondContact OE2-OH 2.96Å
73I96.7Very high95.6Very high23 Ų2358.4 Ų58.412%0.11831%0.312CS..THydrogen-bonded Turntrans-92.84.9173.564.4159.3000113P69 L70 D71 T87 R90 L91 R94P69-I73 PolarHBondContact O-N 2.78Å; L70-I73 HydrophobicContact CD1-CD1 4.27Å; L70-I73 HydrophobicContact CD1-CG1 4.45Å; L70-I73 WeakPolarHBondContact O-CG1 3.44Å; L70-I73 PolarHBondContact O-N 2.95Å; D71-I73 VanDerWaalsContact C-N 3.27Å; D71-I73 PolarHBondContact O-N 2.89Å; I73-T87 HydrophobicContact CD1-CG2 3.84Å; I73-R90 HydrophobicContact CB-CB 4.14Å; I73-R90 HydrophobicContact CD1-CB 3.74Å; I73-R90 HydrophobicContact CG2-CB 4.26Å; I73-L91 HydrophobicContact CD1-CD2 3.73Å; I73-L91 HydrophobicContact CD1-CG 3.73Å; I73-L91 HydrophobicContact CG1-CD2 4.11Å; I73-L91 HydrophobicContact CG2-CD2 4.2Å; I73-R94 HydrophobicContact CG2-CB 4.33Å
74G96.9Very high95.7Very high70 Ų7058 Ų5872%0.72230%0.304SS*.THydrogen-bonded Turntrans87.416.8-179.800000114.8L70 D71 E72L70-G74 PolarHBondContact O-N 2.87Å; D71-G74 PolarHBondContact O-N 2.78Å; E72-G74 VanDerWaalsContact C-N 3.35Å
75G97Very high95.7Very high15 Ų1554.8 Ų54.816%0.15529%0.285CS..SBendtrans90.6-156-176.800000113.4L70L70-G75 VanDerWaalsContact CD1-C 3.49Å; L70-G75 WeakPolarHBondContact CD1-O 3.46Å; L70-G75 WeakPolarHBondContact O-CA 3.4Å; L70-G75 PolarHBondContact O-N 3.32Å
76I97.2Very high95.7Very high67 Ų6752.9 Ų52.934%0.34428%0.275SS..SBendtrans-70.2133.9176.6-60.6-65.4000109.2F58 L70 V78 E83 T87F58-I76 HydrophobicContact CE1-CD1 4.28Å; L70-I76 HydrophobicContact CD1-CD1 3.94Å; L70-I76 HydrophobicContact CD1-CG1 4.5Å; L70-I76 HydrophobicContact CD2-CD1 4.43Å; I76-V78 PolarHBondContact O-N 2.78Å; I76-E83 HydrophobicContact CG2-CB 3.75Å; I76-E83 HydrophobicContact CG2-CG 3.58Å; I76-T87 HydrophobicContact CD1-CG2 4.09Å
77A95.2Very high95.7Very high0 Ų049.5 Ų49.50%026%0.263CS..  trans-76.4101-176.900000112E79 E83 H86 T87A77-E79 VanDerWaalsContact C-OE2 3.28Å; A77-E79 WeakPolarHBondContact CA-OE2 3.24Å; A77-E83 WeakPolarHBondContact O-CA 3.46Å; A77-E83 WeakPolarHBondContact O-CB 3.47Å; A77-H86 HydrophobicContact CB-CB 3.78Å; A77-T87 PolarHBondContact N-OG1 2.89Å
78V93.2Very high95.7Very high119 Ų11941.5 Ų41.572%0.72123%0.232SC*.THydrogen-bonded Turntrans-91.33.3-172.8-63.50000114.7I76 T80I76-V78 PolarHBondContact O-N 2.78Å; V78-T80 VanDerWaalsContact C-N 3.28Å; V78-T80 PolarHBondContact O-N 3.14Å
79E90.1Very high95.8Very high92 Ų9234.6 Ų34.643%0.4320%0.202SC..THydrogen-bonded Turntrans-74.7-18.7-174.1-6186.2161.600113.4A77 H86 R90A77-E79 VanDerWaalsContact C-OE2 3.28Å; A77-E79 WeakPolarHBondContact CA-OE2 3.24Å; E79-H86 IonicContact OE2-ND1 3.83Å; E79-R90 IonicContact OE1-CZ 2.79Å; E79-R90 VanDerWaalsContact OE1-CZ 3.22Å; E79-R90 IonicContact OE1-NH1 3.81Å; E79-R90 PolarHBondContact OE1-NH1 3.28Å; E79-R90 IonicContact OE1-NH2 3.89Å; E79-R90 PolarHBondContact OE1-NH2 3.3Å; E79-R90 IonicContact OE2-CZ 2.65Å; E79-R90 IonicContact OE2-NH1 3.73Å; E79-R90 PolarHBondContact OE2-NH1 3.42Å; E79-R90 IonicContact OE2-NH2 3.82Å; E79-R90 PolarHBondContact OE2-NH2 3.25Å; E79-R90 VanDerWaalsContact OE2-NH2 3.14Å
80T91.8Very high95.8Very high9 Ų937.5 Ų37.56%0.05521%0.213CC..SBendtrans-124.7162.2178.672.60000110.6V78 T82 Q130 I131 L134V78-T80 VanDerWaalsContact C-N 3.28Å; V78-T80 PolarHBondContact O-N 3.14Å; T80-T82 PolarHBondContact O-N 2.82Å; T80-T82 PolarHBondContact OG1-O 2.81Å; T80-Q130 HydrophobicContact CG2-CB 3.91Å; T80-I131 HydrophobicContact CG2-CG1 3.75Å; T80-L134 HydrophobicContact CG2-CD1 4.12Å
81V90Very high95.8Very high43 Ų4336.7 Ų36.726%0.26121%0.209SC..SBendtrans-76.3-2.1178.7-57.70000114.1R123V81-R123 HydrophobicContact CB-CG 4Å; V81-R123 HydrophobicContact CG2-CG 3.83Å; V81-R123 VanDerWaalsContact CG2-O 3.25Å; V81-R123 WeakPolarHBondContact CG2-O 3.25Å
82T93.8Very high95.8Very high4 Ų433 Ų333%0.02519%0.189CC..  trans-120.867.317547.60000107.6T80 D84 A85 H86 G127 I131T80-T82 PolarHBondContact O-N 2.82Å; T80-T82 PolarHBondContact OG1-O 2.81Å; T82-D84 VanDerWaalsContact C-OD1 3.25Å; T82-D84 PolarHBondContact O-N 3.04Å; T82-A85 PolarHBondContact O-N 3.39Å; T82-H86 PolarHBondContact O-N 3.14Å; T82-G127 VanDerWaalsContact OG1-CA 3.24Å; T82-G127 WeakPolarHBondContact OG1-CA 3.43Å; T82-G127 PolarHBondContact OG1-O 2.84Å; T82-I131 VanDerWaalsContact OG1-CD1 3.32Å; T82-I131 WeakPolarHBondContact OG1-CD1 3.42Å
83E95.8Very high95.7Very high81 Ų8131.8 Ų31.838%0.37918%0.182SC..Hα-helixtrans-59.8-29.5-17572-75.3179.400112.3I76 A77 T87I76-E83 HydrophobicContact CG2-CB 3.75Å; I76-E83 HydrophobicContact CG2-CG 3.58Å; A77-E83 WeakPolarHBondContact O-CA 3.46Å; A77-E83 WeakPolarHBondContact O-CB 3.47Å; E83-T87 VanDerWaalsContact O-CB 3.27Å; E83-T87 WeakPolarHBondContact O-CB 3.39Å; E83-T87 PolarHBondContact O-N 2.99Å; E83-T87 PolarHBondContact O-OG1 3.12Å
84D96.7Very high95.7Very high24 Ų2437.9 Ų37.913%0.12820%0.203CC..Hα-helixtrans-65.5-56.5-17956.9-13.1000112.7F58 C59 G60 T82 H86 T87 S88F58-D84 VanDerWaalsContact CD1-CA 3.43Å; F58-D84 HydrophobicContact CD1-CB 3.61Å; F58-D84 HydrophobicContact CE1-CB 3.74Å; F58-D84 HydrophobicContact CG-CB 4.11Å; F58-D84 HydrophobicContact CZ-CB 4.37Å; F58-D84 CarbonylContact O-C 3.59Å; F58-D84 WeakPolarHBondContact O-CB 3.41Å; C59-D84 WeakPolarHBondContact CA-OD2 3.36Å; G60-D84 VanDerWaalsContact N-CB 3.27Å; G60-D84 PolarHBondContact N-OD2 3.38Å; G60-D84 VanDerWaalsContact N-OD2 3.12Å; T82-D84 VanDerWaalsContact C-OD1 3.25Å; T82-D84 PolarHBondContact O-N 3.04Å; D84-H86 VanDerWaalsContact C-N 3.3Å; D84-H86 PolarHBondContact O-N 2.9Å; D84-T87 WeakPolarHBondContact O-CB 3.37Å; D84-T87 PolarHBondContact O-N 3.28Å; D84-S88 PolarHBondContact O-N 3.4Å; D84-S88 VanDerWaalsContact O-N 3.14Å; D84-S88 PolarHBondContact O-OG 2.85Å; D84-S88 VanDerWaalsContact O-OG 3.12Å
85A96.5Very high95.7Very high3 Ų336.9 Ų36.93%0.02519%0.193CC..Hα-helixtrans-64.4-37.7177.100000111.3F58 T82 S88 L89 M128 I131F58-A85 PolarHBondContact O-N 3.46Å; T82-A85 PolarHBondContact O-N 3.39Å; A85-S88 WeakPolarHBondContact O-CB 3.41Å; A85-S88 PolarHBondContact O-N 3.42Å; A85-L89 PolarHBondContact O-N 3.35Å; A85-L89 VanDerWaalsContact O-N 3.11Å; A85-M128 HydrophobicContact CB-CE 3.32Å; A85-M128 HydrophobicContact CB-SD 3.91Å; A85-I131 HydrophobicContact CB-CD1 3.95Å
86H97Very high95.7Very high3 Ų337.2 Ų37.21%0.01419%0.19CC..Hα-helixtrans-67.3-37.8177.4-163.4-178.7000112A77 E79 T82 D84 S88 L89 R90 I131 D135A77-H86 HydrophobicContact CB-CB 3.78Å; E79-H86 IonicContact OE2-ND1 3.83Å; T82-H86 PolarHBondContact O-N 3.14Å; D84-H86 VanDerWaalsContact C-N 3.3Å; D84-H86 PolarHBondContact O-N 2.9Å; H86-S88 VanDerWaalsContact C-N 3.32Å; H86-S88 PolarHBondContact O-N 3.14Å; H86-L89 WeakPolarHBondContact O-CB 3.26Å; H86-L89 PolarHBondContact O-N 3.31Å; H86-R90 PolarHBondContact O-N 3.18Å; H86-R90 VanDerWaalsContact O-N 3.09Å; H86-I131 HydrophobicContact CB-CD1 3.72Å; H86-I131 HydrophobicContact CB-CG1 3.89Å; H86-D135 IonicContact CD2-OD2 2.79Å; H86-D135 WeakPolarHBondContact NE2-CB 3.48Å; H86-D135 IonicContact NE2-OD2 2.92Å; H86-D135 PolarHBondContact NE2-OD2 2.61Å
87T97.9Very high95.7Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-60.6-43.2173.9-60.50000111L70 I73 I76 A77 E83 D84 L89 R90 L91L70-T87 HydrophobicContact CD1-CG2 3.86Å; I73-T87 HydrophobicContact CD1-CG2 3.84Å; I76-T87 HydrophobicContact CD1-CG2 4.09Å; A77-T87 PolarHBondContact N-OG1 2.89Å; E83-T87 VanDerWaalsContact O-CB 3.27Å; E83-T87 WeakPolarHBondContact O-CB 3.39Å; E83-T87 PolarHBondContact O-N 2.99Å; E83-T87 PolarHBondContact O-OG1 3.12Å; D84-T87 WeakPolarHBondContact O-CB 3.37Å; D84-T87 PolarHBondContact O-N 3.28Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 3.23Å; T87-R90 PolarHBondContact O-N 2.9Å; T87-L91 HydrophobicContact CG2-CD1 4.34Å; T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 2.88Å
88S97.4Very high95.8Very high0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-58.4-45.8176.4-51.40000111.7F58 D84 A85 H86 R90 L91 H92 Y151F58-S88 WeakPolarHBondContact CA-OG 3.09Å; F58-S88 WeakPolarHBondContact CB-OG 3.25Å; F58-S88 PolarHBondContact N-OG 2.82Å; D84-S88 PolarHBondContact O-N 3.4Å; D84-S88 VanDerWaalsContact O-N 3.14Å; D84-S88 PolarHBondContact O-OG 2.85Å; D84-S88 VanDerWaalsContact O-OG 3.12Å; A85-S88 WeakPolarHBondContact O-CB 3.41Å; A85-S88 PolarHBondContact O-N 3.42Å; H86-S88 VanDerWaalsContact C-N 3.32Å; H86-S88 PolarHBondContact O-N 3.14Å; S88-R90 VanDerWaalsContact C-N 3.32Å; S88-R90 PolarHBondContact O-N 2.72Å; S88-L91 PolarHBondContact O-N 3.09Å; S88-H92 PolarHBondContact O-N 3.42Å; S88-H92 PolarHBondContact O-ND1 3.27Å; S88-Y151 VanDerWaalsContact CB-OH 3.26Å; S88-Y151 WeakPolarHBondContact CB-OH 3.41Å; S88-Y151 PolarHBondContact O-OH 2.99Å
89L97.5Very high96Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-58.7-44.9179.2177.462.1000111.2A85 H86 T87 H92 R93 I131 D135 P137 L143 Y151 M155A85-L89 PolarHBondContact O-N 3.35Å; A85-L89 VanDerWaalsContact O-N 3.11Å; H86-L89 WeakPolarHBondContact O-CB 3.26Å; H86-L89 PolarHBondContact O-N 3.31Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 3.23Å; L89-H92 PolarHBondContact O-N 3.12Å; L89-R93 HydrophobicContact CD1-CG 4.39Å; L89-R93 WeakPolarHBondContact O-CB 3.34Å; L89-R93 VanDerWaalsContact O-CG 3.29Å; L89-R93 WeakPolarHBondContact O-CG 3.44Å; L89-R93 PolarHBondContact O-N 3.45Å; L89-I131 HydrophobicContact CD2-CG2 3.48Å; L89-I131 VanDerWaalsContact CD2-CG2 3.48Å; L89-D135 HydrophobicContact CD2-CB 3.97Å; L89-D135 VanDerWaalsContact CD2-O 3.3Å; L89-D135 WeakPolarHBondContact CD2-O 3.46Å; L89-P137 HydrophobicContact CD1-CB 4.41Å; L89-L143 HydrophobicContact CD1-CD1 3.65Å; L89-L143 HydrophobicContact CD1-CD2 4.34Å; L89-L143 HydrophobicContact CD1-CG 4.44Å; L89-Y151 VanDerWaalsContact CA-OH 3.29Å; L89-Y151 WeakPolarHBondContact CA-OH 3.34Å; L89-Y151 HydrophobicContact CB-CD1 4.39Å; L89-Y151 HydrophobicContact CB-CE1 3.7Å; L89-Y151 HydrophobicContact CD1-CD1 4.07Å; L89-Y151 HydrophobicContact CD1-CD2 4Å; L89-Y151 HydrophobicContact CD1-CE1 4Å; L89-Y151 HydrophobicContact CD1-CE2 3.98Å; L89-Y151 HydrophobicContact CD1-CG 4.1Å; L89-Y151 HydrophobicContact CG-CE1 4.4Å; L89-Y151 PolarHBondContact N-OH 3.03Å; L89-M155 HydrophobicContact CD2-CE 4.49Å
90R97.4Very high96.4Very high63 Ų6327.4 Ų27.424%0.23814%0.14CC..Hα-helixtrans-64.3-41.5177.5-71.6-172176.1-178.3-4.5112.8I73 E79 H86 T87 S88 R93 R94I73-R90 HydrophobicContact CB-CB 4.14Å; I73-R90 HydrophobicContact CD1-CB 3.74Å; I73-R90 HydrophobicContact CG2-CB 4.26Å; E79-R90 IonicContact OE1-CZ 2.79Å; E79-R90 VanDerWaalsContact OE1-CZ 3.22Å; E79-R90 IonicContact OE1-NH1 3.81Å; E79-R90 PolarHBondContact OE1-NH1 3.28Å; E79-R90 IonicContact OE1-NH2 3.89Å; E79-R90 PolarHBondContact OE1-NH2 3.3Å; E79-R90 IonicContact OE2-CZ 2.65Å; E79-R90 IonicContact OE2-NH1 3.73Å; E79-R90 PolarHBondContact OE2-NH1 3.42Å; E79-R90 IonicContact OE2-NH2 3.82Å; E79-R90 PolarHBondContact OE2-NH2 3.25Å; E79-R90 VanDerWaalsContact OE2-NH2 3.14Å; H86-R90 PolarHBondContact O-N 3.18Å; H86-R90 VanDerWaalsContact O-N 3.09Å; T87-R90 PolarHBondContact O-N 2.9Å; S88-R90 VanDerWaalsContact C-N 3.32Å; S88-R90 PolarHBondContact O-N 2.72Å; R90-R93 PolarHBondContact O-N 2.93Å; R90-R94 PolarHBondContact O-N 2.92Å
91L97.7Very high96.4Very high4 Ų429.5 Ų29.52%0.02115%0.15CC..Hα-helixtrans-59.9-51.2175.7-71.3172.6000110.8A11 M12 P69 I73 T87 S88 R93 R94 G95 Y96A11-L91 HydrophobicContact CB-CD1 4.19Å; A11-L91 HydrophobicContact CB-CD2 4.09Å; M12-L91 HydrophobicContact CB-CD1 4.36Å; P69-L91 HydrophobicContact CB-CD2 3.84Å; I73-L91 HydrophobicContact CD1-CD2 3.73Å; I73-L91 HydrophobicContact CD1-CG 3.73Å; I73-L91 HydrophobicContact CG1-CD2 4.11Å; I73-L91 HydrophobicContact CG2-CD2 4.2Å; T87-L91 HydrophobicContact CG2-CD1 4.34Å; T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 2.88Å; S88-L91 PolarHBondContact O-N 3.09Å; L91-R93 PolarHBondContact O-N 3.02Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-R94 VanDerWaalsContact O-N 3.1Å; L91-G95 PolarHBondContact O-N 3.44Å; L91-Y96 HydrophobicContact CD2-CD2 4.28Å; L91-Y96 WeakPolarHBondContact O-CB 3.37Å; L91-Y96 PolarHBondContact O-N 3.3Å
92H97.7Very high96.5Very high3 Ų331.1 Ų31.11%0.01415%0.151CC..Hα-helixtrans-63.4-39.9179.7-67152.5000112.6D54 T56 S88 L89 R94 G95 Y96 S98 L143 Y151D54-H92 PolarHBondContact O-NE2 2.78Å; T56-H92 PolarHBondContact O-CE1 3.26Å; S88-H92 PolarHBondContact O-N 3.42Å; S88-H92 PolarHBondContact O-ND1 3.27Å; L89-H92 PolarHBondContact O-N 3.12Å; H92-R94 PolarHBondContact O-N 3.44Å; H92-G95 PolarHBondContact O-N 3.22Å; H92-Y96 PolarHBondContact CD2-O 3.01Å; H92-S98 PolarHBondContact CE1-OG 3.21Å; H92-S98 VanDerWaalsContact NE2-CB 3.25Å; H92-S98 WeakPolarHBondContact NE2-CB 3.13Å; H92-S98 PolarHBondContact NE2-OG 3.29Å; H92-L143 HydrophobicContact CB-CD2 3.55Å; H92-Y151 PolarHBondContact CE1-OH 3.37Å; H92-Y151 AromaticContact ND1-CE2 3.41Å; H92-Y151 WeakPolarHBondContact ND1-CE2 3.34Å; H92-Y151 AromaticContact ND1-CZ 3.46Å; H92-Y151 PolarHBondContact ND1-OH 2.92Å
93R96.9Very high96.2Very high44 Ų4435 Ų3517%0.16617%0.171CC..Hα-helixtrans-59.1-29.1174.7-80.8-171.4179.6-643.2113.3L89 R90 L91 D135 N136 G140 K141 G142 L143L89-R93 HydrophobicContact CD1-CG 4.39Å; L89-R93 WeakPolarHBondContact O-CB 3.34Å; L89-R93 VanDerWaalsContact O-CG 3.29Å; L89-R93 WeakPolarHBondContact O-CG 3.44Å; L89-R93 PolarHBondContact O-N 3.45Å; R90-R93 PolarHBondContact O-N 2.93Å; L91-R93 PolarHBondContact O-N 3.02Å; R93-D135 IonicContact CZ-OD1 3.61Å; R93-D135 IonicContact NE-OD1 3.96Å; R93-D135 PolarHBondContact NE-OD1 3.35Å; R93-D135 IonicContact NE-OD2 2.67Å; R93-D135 IonicContact NH2-OD1 3.24Å; R93-D135 PolarHBondContact NH2-OD1 2.8Å; R93-N136 PolarHBondContact NH2-O 2.92Å; R93-G140 PolarHBondContact NH1-O 2.83Å; R93-G140 VanDerWaalsContact NH1-O 3.15Å; R93-K141 PolarHBondContact NH1-O 3.47Å; R93-G142 VanDerWaalsContact O-CA 3.29Å; R93-G142 WeakPolarHBondContact O-CA 3.24Å; R93-L143 HydrophobicContact CG-CD2 3.99Å; R93-L143 HydrophobicContact CG-CG 3.94Å
94R96.4Very high95.9Very high151 Ų15131.5 Ų31.557%0.5716%0.155SC*.THydrogen-bonded Turntrans-862.7177.8-157.9157.1177.8100.1-4.5112.9E72 I73 R90 L91 H92 Y96E72-R94 IonicContact OE2-NE 2.79Å; I73-R94 HydrophobicContact CG2-CB 4.33Å; R90-R94 PolarHBondContact O-N 2.92Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-R94 VanDerWaalsContact O-N 3.1Å; H92-R94 PolarHBondContact O-N 3.44Å; R94-Y96 HydrophobicContact CB-CD2 4.08Å; R94-Y96 HydrophobicContact CB-CE2 4.29Å; R94-Y96 HydrophobicContact CG-CD2 4.44Å; R94-Y96 HydrophobicContact CG-CE2 4.15Å
95G96.2Very high95.4Very high49 Ų4935.5 Ų35.551%0.50517%0.173SC..THydrogen-bonded Turntrans88.75.4176.200000114.7L91 H92L91-G95 PolarHBondContact O-N 3.44Å; H92-G95 PolarHBondContact O-N 3.22Å
96Y97.7Very high94.9Very high23 Ų2337.4 Ų37.49%0.0919%0.189CC..  trans-73.9154.6173.5-69.5-64.8000111.7A11 P69 E72 L91 H92 R94A11-Y96 HydrophobicContact CB-CD1 4.26Å; A11-Y96 HydrophobicContact CB-CG 3.94Å; P69-Y96 HydrophobicContact CB-CD1 4.03Å; P69-Y96 HydrophobicContact CB-CD2 3.77Å; P69-Y96 HydrophobicContact CB-CE1 3.89Å; P69-Y96 HydrophobicContact CB-CE2 3.62Å; P69-Y96 HydrophobicContact CB-CG 3.97Å; P69-Y96 HydrophobicContact CG-CD1 3.9Å; P69-Y96 HydrophobicContact CG-CE1 3.58Å; P69-Y96 HydrophobicContact CG-CE2 4.22Å; P69-Y96 HydrophobicContact CG-CG 4.35Å; E72-Y96 PolarHBondContact OE1-OH 3.45Å; E72-Y96 PolarHBondContact OE2-OH 2.96Å; L91-Y96 HydrophobicContact CD2-CD2 4.28Å; L91-Y96 WeakPolarHBondContact O-CB 3.37Å; L91-Y96 PolarHBondContact O-N 3.3Å; H92-Y96 PolarHBondContact CD2-O 3.01Å; R94-Y96 HydrophobicContact CB-CD2 4.08Å; R94-Y96 HydrophobicContact CB-CE2 4.29Å; R94-Y96 HydrophobicContact CG-CD2 4.44Å; R94-Y96 HydrophobicContact CG-CE2 4.15Å
97T97.5Very high94.4Very high31 Ų3138.6 Ų38.619%0.1920%0.199CC..EExtended strand (participates in β ladder)trans-102.9159.5179.564.50000112Q9 L10 A11 D54Q9-T97 VanDerWaalsContact C-OG1 3.29Å; Q9-T97 HydrophobicContact CB-CG2 4.2Å; Q9-T97 PolarHBondContact O-N 3.3Å; Q9-T97 PolarHBondContact O-OG1 3.14Å; L10-T97 VanDerWaalsContact CA-OG1 3.26Å; L10-T97 WeakPolarHBondContact CA-OG1 3.49Å; L10-T97 PolarHBondContact N-OG1 2.91Å; A11-T97 PolarHBondContact N-O 2.92Å; D54-T97 WeakPolarHBondContact OD1-CA 3.45Å; D54-T97 WeakPolarHBondContact OD1-CB 3.06Å
98S97.6Very high93.9Very high7 Ų740 Ų405%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-129.1151.3175.259.60000111.1M12 D54 T56 H92M12-S98 CarbonylContact O-C 3.55Å; M12-S98 WeakPolarHBondContact O-CA 3.39Å; D54-S98 PolarHBondContact OD1-N 3.25Å; T56-S98 WeakPolarHBondContact CB-OG 3.27Å; T56-S98 PolarHBondContact N-OG 3.47Å; T56-S98 VanDerWaalsContact N-OG 3.1Å; T56-S98 PolarHBondContact O-OG 3.1Å; H92-S98 PolarHBondContact CE1-OG 3.21Å; H92-S98 VanDerWaalsContact NE2-CB 3.25Å; H92-S98 WeakPolarHBondContact NE2-CB 3.13Å; H92-S98 PolarHBondContact NE2-OG 3.29Å
99A97.2Very high93.5Very high19 Ų1944.8 Ų44.816%0.15724%0.239CC..EExtended strand (participates in β ladder)trans-129147.7177.600000112.1L10 M12 M13 Q14 D51L10-A99 HydrophobicContact CD1-CB 3.6Å; L10-A99 HydrophobicContact CD2-CB 4.37Å; M12-A99 PolarHBondContact O-N 3.49Å; M13-A99 CarbonylContact C-O 3.23Å; M13-A99 VanDerWaalsContact CA-O 3.29Å; M13-A99 WeakPolarHBondContact CA-O 3.38Å; M13-A99 HydrophobicContact CE-CB 3.66Å; Q14-A99 PolarHBondContact N-O 2.91Å; D51-A99 VanDerWaalsContact OD1-C 3.26Å; D51-A99 WeakPolarHBondContact OD1-CA 3.48Å
100Y97Very high93Very high14 Ų1445.5 Ų45.56%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-113126.1172.3-170.8-121.4000110.5Q14 P16 Y43 Q47 D48 D51 T56 R102Q14-Y100 HydrophobicContact CB-CD2 4.01Å; Q14-Y100 HydrophobicContact CG-CD2 4.01Å; Q14-Y100 HydrophobicContact CG-CE2 4.06Å; Q14-Y100 WeakPolarHBondContact O-CD2 3.4Å; P16-Y100 WeakPolarHBondContact CA-OH 3.5Å; P16-Y100 WeakPolarHBondContact CD-OH 3.44Å; P16-Y100 WeakPolarHBondContact CG-OH 3.49Å; Y43-Y100 WeakPolarHBondContact CA-OH 3.34Å; Y43-Y100 WeakPolarHBondContact CB-OH 3.31Å; Y43-Y100 VanDerWaalsContact O-CE1 3.31Å; Y43-Y100 WeakPolarHBondContact O-CE1 3.11Å; Y43-Y100 PolarHBondContact O-OH 2.94Å; Q47-Y100 HydrophobicContact CB-CD1 3.95Å; Q47-Y100 HydrophobicContact CB-CD2 4.01Å; Q47-Y100 HydrophobicContact CB-CE1 3.76Å; Q47-Y100 HydrophobicContact CB-CE2 3.88Å; Q47-Y100 HydrophobicContact CB-CG 4.05Å; Q47-Y100 HydrophobicContact CG-CE2 4.34Å; D48-Y100 HydrophobicContact CB-CD1 4.22Å; D48-Y100 HydrophobicContact CB-CE1 4.46Å; D51-Y100 PolarHBondContact OD1-N 2.9Å; D51-Y100 PolarHBondContact OD2-N 3.21Å; T56-Y100 HydrophobicContact CG2-CD2 4.11Å; T56-Y100 HydrophobicContact CG2-CG 4.34Å; Y100-R102 HydrophobicContact CD1-CB 4.1Å; Y100-R102 HydrophobicContact CE1-CB 3.76Å; Y100-R102 HydrophobicContact CE1-CG 3.9Å
101M93.5Very high92.5Very high54 Ų5443.7 Ų43.727%0.26624%0.241SC..  trans-109102171.6-178.4175.665.700108.3Q14 T15 P16 I103 Q105Q14-M101 PolarHBondContact O-N 3.02Å; T15-M101 HydrophobicContact CG2-CB 4.3Å; T15-M101 HydrophobicContact CG2-CE 3.63Å; P16-M101 WeakPolarHBondContact CD-O 3.37Å; M101-I103 HydrophobicContact CG-CB 4.38Å; M101-I103 HydrophobicContact CG-CD1 4.28Å; M101-I103 HydrophobicContact CG-CG1 4.22Å; M101-I103 PolarHBondContact O-N 3.38Å; M101-Q105 HydrophobicContact CE-CG 3.94Å
102R90.3Very high91.8Very high77 Ų7747.3 Ų47.329%0.29126%0.257SS..  trans-72.249.8-177.1-164.1-155.9-72.6-150.8-13.8113.3G44 D48 Y100 Y211G44-R102 PolarHBondContact O-NE 3Å; G44-R102 PolarHBondContact O-NH1 3.33Å; G44-R102 PolarHBondContact O-NH2 2.89Å; D48-R102 VanDerWaalsContact CG-CZ 3.43Å; D48-R102 VanDerWaalsContact CG-NE 3.3Å; D48-R102 IonicContact OD1-CZ 2.65Å; D48-R102 IonicContact OD1-NE 3.08Å; D48-R102 PolarHBondContact OD1-NE 3.18Å; D48-R102 IonicContact OD1-NH2 2.74Å; D48-R102 PolarHBondContact OD1-NH2 3.31Å; D48-R102 IonicContact OD2-CZ 3.32Å; D48-R102 IonicContact OD2-NE 3.73Å; D48-R102 IonicContact OD2-NH2 3.77Å; D48-R102 PolarHBondContact OD2-NH2 3.42Å; Y100-R102 HydrophobicContact CD1-CB 4.1Å; Y100-R102 HydrophobicContact CE1-CB 3.76Å; Y100-R102 HydrophobicContact CE1-CG 3.9Å; R102-Y211 PolarHBondContact NH1-OH 3.39Å
103I88.7Confident91.3Very high86 Ų8647.7 Ų47.744%0.44126%0.26SS..SBendtrans-130116.8174.9-54.7177.3000107.1M101 Q105M101-I103 HydrophobicContact CG-CB 4.38Å; M101-I103 HydrophobicContact CG-CD1 4.28Å; M101-I103 HydrophobicContact CG-CG1 4.22Å; M101-I103 PolarHBondContact O-N 3.38Å; I103-Q105 VanDerWaalsContact CG2-NE2 3.28Å; I103-Q105 WeakPolarHBondContact O-CG 3.4Å; I103-Q105 PolarHBondContact O-N 2.98Å
104P88.5Confident90.9Very high7 Ų745.6 Ų45.65%0.04525%0.252CS..  trans-55.2120.8173.3-26.236000111.1P16 H18 W423P16-P104 HydrophobicContact CB-CG 4.45Å; P16-P104 HydrophobicContact CG-CG 4.43Å; H18-P104 HydrophobicContact CB-CB 3.96Å; H18-P104 HydrophobicContact CB-CG 4.46Å; P104-W423 HydrophobicContact CB-CB 3.94Å
105Q87.5Confident90.4Very high108 Ų10839.9 Ų39.951%0.50524%0.236SC..  trans-110.6-11178.3-65.1-61.2-54.400112.9T15 M101 I103T15-Q105 HydrophobicContact CG2-CG 3.99Å; M101-Q105 HydrophobicContact CE-CG 3.94Å; I103-Q105 VanDerWaalsContact CG2-NE2 3.28Å; I103-Q105 WeakPolarHBondContact O-CG 3.4Å; I103-Q105 PolarHBondContact O-N 2.98Å
106A85.3Confident90Very high42 Ų4238.7 Ų38.735%0.34722%0.221SC..  trans-150.1151.8179.500000108.9
107A85.9Confident89.7Confident28 Ų2837.8 Ų37.823%0.23122%0.218CC..EExtended strand (participates in β ladder)trans-121.8127.3175.700000109.4H18 F20 W423H18-A107 CarbonylContact O-C 3.55Å; H18-A107 VanDerWaalsContact O-CA 3.31Å; H18-A107 WeakPolarHBondContact O-CA 3.43Å; F20-A107 HydrophobicContact CD1-CB 3.71Å; F20-A107 HydrophobicContact CE1-CB 4.45Å; A107-W423 HydrophobicContact CB-CD2 3.74Å; A107-W423 HydrophobicContact CB-CE3 3.78Å; A107-W423 HydrophobicContact CB-CH2 3.48Å; A107-W423 VanDerWaalsContact CB-CH2 3.48Å; A107-W423 HydrophobicContact CB-CZ2 3.45Å; A107-W423 VanDerWaalsContact CB-CZ2 3.45Å; A107-W423 HydrophobicContact CB-CZ3 3.66Å
108G88.2Confident89.4Confident29 Ų2936.6 Ų36.630%0.29921%0.21SC..EExtended strand (participates in β ladder)trans-106.4-176.8177.800000112.6H18 F19 F20H18-G108 PolarHBondContact O-N 3.5Å; F19-G108 WeakPolarHBondContact CA-O 3.44Å; F20-G108 WeakPolarHBondContact CD1-O 3.16Å; F20-G108 WeakPolarHBondContact CE1-O 3.49Å; F20-G108 PolarHBondContact N-O 3.21Å
109L88.6Confident89Confident101 Ų10136.7 Ų36.753%0.52921%0.212SC..PPolyproline II helixtrans-100.8133.7169.6-65170.4000109.5F19 F20 S21 H326F19-L109 VanDerWaalsContact CD1-C 3.42Å; F19-L109 WeakPolarHBondContact CD1-O 3.21Å; F19-L109 WeakPolarHBondContact CE1-O 3.5Å; F20-L109 HydrophobicContact CE1-CD2 3.93Å; F20-L109 HydrophobicContact CE1-CG 4.36Å; F20-L109 HydrophobicContact CE2-CD2 3.73Å; F20-L109 HydrophobicContact CZ-CD2 3.39Å; F20-L109 HydrophobicContact CZ-CG 4.12Å; S21-L109 WeakPolarHBondContact OG-CA 3.13Å; L109-H326 HydrophobicContact CD2-CB 4.37Å
110A87.7Confident88.7Confident16 Ų1638.8 Ų38.813%0.13222%0.219CC..PPolyproline II helixtrans-71.3168.2165.900000110.3F19 S21 D23 E112F19-A110 HydrophobicContact CB-CB 4.24Å; F19-A110 HydrophobicContact CD1-CB 4.47Å; F19-A110 HydrophobicContact CG-CB 4.31Å; S21-A110 PolarHBondContact OG-N 3.03Å; D23-A110 HydrophobicContact CB-CB 4.03Å; A110-E112 PolarHBondContact O-N 2.88Å
111T87.1Confident88.5Confident25 Ų2539.2 Ų39.215%0.15322%0.22CC..PPolyproline II helixtrans-64.8131177.147.50000111.5P24 S113 A116 H117P24-T111 WeakPolarHBondContact CD-O 3.29Å; P24-T111 WeakPolarHBondContact CD-OG1 3.49Å; P24-T111 WeakPolarHBondContact CG-O 3.41Å; T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 2.71Å; T111-A116 HydrophobicContact CG2-CB 4.35Å; T111-H117 HydrophobicContact CG2-CB 4.4Å; T111-H117 VanDerWaalsContact OG1-CB 3.29Å; T111-H117 WeakPolarHBondContact OG1-CB 3.25Å; T111-H117 PolarHBondContact OG1-ND1 2.86Å; T111-H117 VanDerWaalsContact OG1-ND1 3.12Å
112E83.4Confident88.4Confident79 Ų7938.5 Ų38.537%0.36922%0.217SC..SBendtrans-74.3-14.4-176.2-63.2-179.8176.800115R27 A110 G250 G251R27-E112 PolarHBondContact NH1-O 2.81Å; R27-E112 PolarHBondContact NH2-O 2.83Å; A110-E112 PolarHBondContact O-N 2.88Å; E112-G250 WeakPolarHBondContact OE2-CA 3.19Å; E112-G251 PolarHBondContact OE2-N 3.4Å
113S85.9Confident88.5Confident11 Ų1139.1 Ų39.18%0.07722%0.22CC..SBendtrans-141.7154.3178.965.90000110.3P24 T111 S115 A116 H117 E318P24-S113 WeakPolarHBondContact CG-O 3.31Å; T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 2.71Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 PolarHBondContact OG-OG 2.86Å; S113-A116 PolarHBondContact O-N 2.7Å; S113-A116 WeakPolarHBondContact OG-CB 3.11Å; S113-A116 PolarHBondContact OG-N 3.01Å; S113-A116 VanDerWaalsContact OG-N 3.1Å; S113-H117 WeakPolarHBondContact O-CB 3.29Å; S113-H117 PolarHBondContact O-N 2.88Å; S113-E318 WeakPolarHBondContact CA-OE1 3.33Å; S113-E318 WeakPolarHBondContact CB-OE1 3.29Å
114L88.8Confident88.8Confident0 Ų038.7 Ų38.70%021%0.213CC..Hα-helixtrans-58.5-37172.2-176.361.9000111P24 F25 H117 I118 V223 I262 V315 E318P24-L114 HydrophobicContact CB-CB 4.16Å; P24-L114 HydrophobicContact CB-CD1 4.39Å; F25-L114 HydrophobicContact CE2-CD1 4.37Å; L114-H117 WeakPolarHBondContact O-CB 3.12Å; L114-H117 PolarHBondContact O-N 2.78Å; L114-I118 HydrophobicContact CD1-CD1 4.15Å; L114-I118 HydrophobicContact CD1-CG1 4.22Å; L114-I118 HydrophobicContact CD2-CD1 4.46Å; L114-I118 HydrophobicContact CG-CD1 3.91Å; L114-I118 HydrophobicContact CG-CG1 4.36Å; L114-I118 WeakPolarHBondContact O-CB 3.04Å; L114-I118 WeakPolarHBondContact O-CG1 3.41Å; L114-I118 PolarHBondContact O-N 2.88Å; L114-V223 HydrophobicContact CD1-CG1 3.95Å; L114-I262 HydrophobicContact CD2-CG2 3.79Å; L114-I262 HydrophobicContact CG-CD1 4.43Å; L114-I262 HydrophobicContact CG-CG2 4.27Å; L114-V315 HydrophobicContact CD1-CG1 3.81Å; L114-V315 HydrophobicContact CD2-CG1 4.11Å; L114-E318 WeakPolarHBondContact CB-OE1 3.44Å; L114-E318 PolarHBondContact N-OE1 3.48Å
115S86.8Confident89.1Confident32 Ų3238.4 Ų38.422%0.22421%0.21CC..Hα-helixtrans-59.6-46.1174.964.20000113S113 G119S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 PolarHBondContact OG-OG 2.86Å; S115-G119 PolarHBondContact O-N 2.91Å
116A87.1Confident89.4Confident24 Ų2434.5 Ų34.520%0.19819%0.191CC..Hα-helixtrans-67.4-38.9176.200000111.3T111 S113 G119 Q120T111-A116 HydrophobicContact CG2-CB 4.35Å; S113-A116 PolarHBondContact O-N 2.7Å; S113-A116 WeakPolarHBondContact OG-CB 3.11Å; S113-A116 PolarHBondContact OG-N 3.01Å; S113-A116 VanDerWaalsContact OG-N 3.1Å; A116-G119 PolarHBondContact O-N 2.81Å; A116-Q120 PolarHBondContact O-N 3.49Å
117H90.5Very high89.9Confident3 Ų332.5 Ų32.51%0.01418%0.175CC..Hα-helixtrans-60.9-52.4176.6-169.491.7000112.4P24 F25 E38 T111 S113 L114 G119 Q120 R121P24-H117 HydrophobicContact CG-CB 3.95Å; F25-H117 AromaticContact CE2-CD2 3.69Å; F25-H117 AromaticContact CE2-NE2 3.56Å; E38-H117 IonicContact OE2-CE1 3.01Å; E38-H117 IonicContact OE2-NE2 2.91Å; E38-H117 PolarHBondContact OE2-NE2 3.25Å; T111-H117 HydrophobicContact CG2-CB 4.4Å; T111-H117 VanDerWaalsContact OG1-CB 3.29Å; T111-H117 WeakPolarHBondContact OG1-CB 3.25Å; T111-H117 PolarHBondContact OG1-ND1 2.86Å; T111-H117 VanDerWaalsContact OG1-ND1 3.12Å; S113-H117 WeakPolarHBondContact O-CB 3.29Å; S113-H117 PolarHBondContact O-N 2.88Å; L114-H117 WeakPolarHBondContact O-CB 3.12Å; L114-H117 PolarHBondContact O-N 2.78Å; H117-G119 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact O-N 3.22Å; H117-Q120 PolarHBondContact O-N 2.97Å; H117-R121 PolarHBondContact CE1-NH2 2.82Å; H117-R121 WeakPolarHBondContact O-CG 3.32Å; H117-R121 PolarHBondContact O-N 3.11Å
118I91.4Very high90.4Very high6 Ų632.5 Ų32.53%0.03117%0.17CC..Hα-helixtrans-59.2-44.4175.9-70173.8000109.9L114 Q120 R121 I122 V223 L224 Y227 I262L114-I118 HydrophobicContact CD1-CD1 4.15Å; L114-I118 HydrophobicContact CD1-CG1 4.22Å; L114-I118 HydrophobicContact CD2-CD1 4.46Å; L114-I118 HydrophobicContact CG-CD1 3.91Å; L114-I118 HydrophobicContact CG-CG1 4.36Å; L114-I118 WeakPolarHBondContact O-CB 3.04Å; L114-I118 WeakPolarHBondContact O-CG1 3.41Å; L114-I118 PolarHBondContact O-N 2.88Å; I118-Q120 VanDerWaalsContact C-N 3.31Å; I118-Q120 PolarHBondContact O-N 2.92Å; I118-R121 PolarHBondContact O-N 3.02Å; I118-I122 HydrophobicContact CG2-CD1 3.78Å; I118-I122 HydrophobicContact CG2-CG1 4.22Å; I118-I122 VanDerWaalsContact O-CG1 3.27Å; I118-I122 WeakPolarHBondContact O-CG1 2.91Å; I118-I122 PolarHBondContact O-N 3.38Å; I118-V223 HydrophobicContact CD1-CG1 4.23Å; I118-V223 HydrophobicContact CG1-CG1 4.48Å; I118-L224 HydrophobicContact CG1-CD2 4.1Å; I118-Y227 HydrophobicContact CD1-CD2 3.91Å; I118-Y227 HydrophobicContact CD1-CE2 3.96Å; I118-Y227 HydrophobicContact CG2-CD1 4.04Å; I118-Y227 HydrophobicContact CG2-CD2 3.89Å; I118-Y227 HydrophobicContact CG2-CG 3.55Å; I118-I262 HydrophobicContact CD1-CD1 4.25Å; I118-I262 HydrophobicContact CD1-CG2 3.51Å
119G89.6Confident90.7Very high9 Ų931.2 Ų31.29%0.09316%0.157CC..Hα-helixtrans-58.2-39.6176.600000113.6S115 A116 H117 R123S115-G119 PolarHBondContact O-N 2.91Å; A116-G119 PolarHBondContact O-N 2.81Å; H117-G119 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact O-N 3.22Å; G119-R123 PolarHBondContact O-N 2.76Å
120Q90.6Very high91.1Very high63 Ų6326.9 Ų26.929%0.29413%0.134SC..Hα-helixtrans-66.3-48.1174.7-171-179.837.300111.4A116 H117 I118 I122 R123 W124A116-Q120 PolarHBondContact O-N 3.49Å; H117-Q120 PolarHBondContact O-N 2.97Å; I118-Q120 VanDerWaalsContact C-N 3.31Å; I118-Q120 PolarHBondContact O-N 2.92Å; Q120-I122 PolarHBondContact O-N 3.31Å; Q120-R123 WeakPolarHBondContact O-CB 3.21Å; Q120-R123 PolarHBondContact O-N 3.49Å; Q120-R123 VanDerWaalsContact O-N 3.12Å; Q120-W124 HydrophobicContact CG-CD2 4.4Å; Q120-W124 HydrophobicContact CG-CZ2 3.85Å; Q120-W124 PolarHBondContact O-N 3.44Å; Q120-W124 VanDerWaalsContact O-N 3.13Å
121R92.7Very high91.5Very high23 Ų2326.1 Ų26.19%0.08713%0.127CC..Hα-helixtrans-64.8-36.1-179.6-66.7-71.8-177.7-85.7-0.5112.7E38 H117 I118 R123 W124 A125 L224E38-R121 IonicContact OE1-CZ 3.99Å; E38-R121 IonicContact OE1-NE 3.77Å; E38-R121 PolarHBondContact OE1-NE 3.09Å; E38-R121 IonicContact OE1-NH2 3.65Å; E38-R121 IonicContact OE2-CZ 2.64Å; E38-R121 VanDerWaalsContact OE2-CZ 3.24Å; E38-R121 IonicContact OE2-NE 3.71Å; E38-R121 PolarHBondContact OE2-NE 2.79Å; E38-R121 IonicContact OE2-NH2 3.03Å; E38-R121 PolarHBondContact OE2-NH2 2.83Å; H117-R121 PolarHBondContact CE1-NH2 2.82Å; H117-R121 WeakPolarHBondContact O-CG 3.32Å; H117-R121 PolarHBondContact O-N 3.11Å; I118-R121 PolarHBondContact O-N 3.02Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 3.45Å; R121-W124 VanDerWaalsContact CZ-CZ3 3.4Å; R121-W124 PolarHBondContact O-N 2.73Å; R121-A125 VanDerWaalsContact O-CB 3.28Å; R121-A125 WeakPolarHBondContact O-CB 3.44Å; R121-A125 PolarHBondContact O-N 3.42Å; R121-L224 HydrophobicContact CB-CD1 4.14Å; R121-L224 HydrophobicContact CB-CD2 3.75Å; R121-L224 HydrophobicContact CG-CD1 3.93Å; R121-L224 HydrophobicContact CG-CD2 3.89Å
122I92.7Very high91.9Very high40 Ų4026.2 Ų26.221%0.20513%0.126CC..Hα-helixtrans-57.4-44.2171.3-72.3167.3000110.9I118 Q120 A125 R126 I228 P231I118-I122 HydrophobicContact CG2-CD1 3.78Å; I118-I122 HydrophobicContact CG2-CG1 4.22Å; I118-I122 VanDerWaalsContact O-CG1 3.27Å; I118-I122 WeakPolarHBondContact O-CG1 2.91Å; I118-I122 PolarHBondContact O-N 3.38Å; Q120-I122 PolarHBondContact O-N 3.31Å; I122-A125 PolarHBondContact O-N 3.36Å; I122-R126 VanDerWaalsContact O-CB 3.3Å; I122-R126 WeakPolarHBondContact O-CB 3.36Å; I122-R126 PolarHBondContact O-N 3.19Å; I122-I228 HydrophobicContact CG1-CG2 4.42Å; I122-P231 HydrophobicContact CG2-CB 4.13Å; I122-P231 HydrophobicContact CG2-CG 3.82Å
123R92.7Very high92.4Very high90 Ų9028.3 Ų28.334%0.3413%0.13SC..Hα-helixtrans-63.1-47.7179.7-169.7-170.2-51.8160.57.8110.9V81 G119 Q120 R121 R126 G127 F244V81-R123 HydrophobicContact CB-CG 4Å; V81-R123 HydrophobicContact CG2-CG 3.83Å; V81-R123 VanDerWaalsContact CG2-O 3.25Å; V81-R123 WeakPolarHBondContact CG2-O 3.25Å; G119-R123 PolarHBondContact O-N 2.76Å; Q120-R123 WeakPolarHBondContact O-CB 3.21Å; Q120-R123 PolarHBondContact O-N 3.49Å; Q120-R123 VanDerWaalsContact O-N 3.12Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 3.45Å; R123-R126 PolarHBondContact O-N 3.29Å; R123-G127 PolarHBondContact O-N 3.26Å; R123-F244 HydrophobicContact CB-CD2 4.45Å; R123-F244 HydrophobicContact CB-CE2 4.29Å; R123-F244 VanDerWaalsContact NH2-CE1 3.27Å
124W94.4Very high92.9Very high77 Ų7730.8 Ų30.829%0.29214%0.142SC..Hα-helixtrans-60.9-47.5178.5-63.1-8.3000111.7Q120 R121 R126 G127 M128 F158Q120-W124 HydrophobicContact CG-CD2 4.4Å; Q120-W124 HydrophobicContact CG-CZ2 3.85Å; Q120-W124 PolarHBondContact O-N 3.44Å; Q120-W124 VanDerWaalsContact O-N 3.13Å; R121-W124 VanDerWaalsContact CZ-CZ3 3.4Å; R121-W124 PolarHBondContact O-N 2.73Å; W124-R126 PolarHBondContact O-N 3.47Å; W124-G127 PolarHBondContact O-N 3.42Å; W124-M128 WeakPolarHBondContact O-CB 3.49Å; W124-M128 WeakPolarHBondContact O-CG 3.4Å; W124-M128 PolarHBondContact O-N 3.45Å; W124-F158 HydrophobicContact CB-CE1 3.93Å; W124-F158 HydrophobicContact CB-CZ 3.89Å
125A94.8Very high93.2Very high0 Ų032.2 Ų32.20%015%0.15CC..Hα-helixtrans-59.1-47.5179.200000112R121 I122 V129 F158 I228 T232R121-A125 VanDerWaalsContact O-CB 3.28Å; R121-A125 WeakPolarHBondContact O-CB 3.44Å; R121-A125 PolarHBondContact O-N 3.42Å; I122-A125 PolarHBondContact O-N 3.36Å; A125-V129 WeakPolarHBondContact O-CG2 3.33Å; A125-V129 PolarHBondContact O-N 3.2Å; A125-F158 HydrophobicContact CB-CB 3.91Å; A125-F158 HydrophobicContact CB-CD1 3.46Å; A125-F158 VanDerWaalsContact CB-CD1 3.46Å; A125-F158 HydrophobicContact CB-CE1 4.26Å; A125-F158 HydrophobicContact CB-CG 3.95Å; A125-I228 HydrophobicContact CB-CB 4Å; A125-I228 HydrophobicContact CB-CG2 4.03Å; A125-T232 HydrophobicContact CB-CG2 3.64Å
126R94.2Very high93.6Very high26 Ų2632.3 Ų32.310%0.09815%0.148CC..Hα-helixtrans-60.7-50176-178.6-176.9172.8-169.4-4.7111.5I122 R123 W124 M128 V129 Q130 P231 A235 K241 G242I122-R126 VanDerWaalsContact O-CB 3.3Å; I122-R126 WeakPolarHBondContact O-CB 3.36Å; I122-R126 PolarHBondContact O-N 3.19Å; R123-R126 PolarHBondContact O-N 3.29Å; W124-R126 PolarHBondContact O-N 3.47Å; R126-M128 PolarHBondContact O-N 3.07Å; R126-V129 PolarHBondContact O-N 3.04Å; R126-Q130 HydrophobicContact CG-CG 4.36Å; R126-Q130 WeakPolarHBondContact O-CG 3.5Å; R126-Q130 PolarHBondContact O-N 2.79Å; R126-P231 HydrophobicContact CB-CB 4.41Å; R126-A235 HydrophobicContact CG-CB 4.18Å; R126-K241 PolarHBondContact NH2-O 3.5Å; R126-G242 VanDerWaalsContact CZ-O 3.25Å; R126-G242 PolarHBondContact NH1-O 2.92Å; R126-G242 VanDerWaalsContact NH2-C 3.32Å; R126-G242 PolarHBondContact NH2-O 2.83Å
127G94.5Very high94Very high0 Ų031.1 Ų31.10%014%0.138CC..Hα-helixtrans-61.5-44.6-176.200000112.7T82 R123 W124 V129 Q130 I131T82-G127 VanDerWaalsContact OG1-CA 3.24Å; T82-G127 WeakPolarHBondContact OG1-CA 3.43Å; T82-G127 PolarHBondContact OG1-O 2.84Å; R123-G127 PolarHBondContact O-N 3.26Å; W124-G127 PolarHBondContact O-N 3.42Å; G127-V129 VanDerWaalsContact C-N 3.34Å; G127-V129 PolarHBondContact O-N 3.38Å; G127-Q130 WeakPolarHBondContact O-CA 3.48Å; G127-Q130 WeakPolarHBondContact O-CB 3.43Å; G127-Q130 PolarHBondContact O-N 2.74Å; G127-Q130 VanDerWaalsContact O-N 3.1Å; G127-I131 WeakPolarHBondContact O-CG1 3.38Å; G127-I131 PolarHBondContact O-N 3.27Å
128M96.2Very high94.2Very high29 Ų2935 Ų3514%0.14316%0.159CC..Hα-helixtrans-62.7-39.2177.8-72.8-70-174.200112.8A85 W124 R126 I131 F132 M155 F158A85-M128 HydrophobicContact CB-CE 3.32Å; A85-M128 HydrophobicContact CB-SD 3.91Å; W124-M128 WeakPolarHBondContact O-CB 3.49Å; W124-M128 WeakPolarHBondContact O-CG 3.4Å; W124-M128 PolarHBondContact O-N 3.45Å; R126-M128 PolarHBondContact O-N 3.07Å; M128-I131 PolarHBondContact O-N 3.04Å; M128-I131 HydrophobicContact SD-CD1 4.24Å; M128-F132 PolarHBondContact O-N 3.17Å; M128-M155 HydrophobicContact CB-CG 4.46Å; M128-M155 HydrophobicContact SD-CG 4.48Å; M128-F158 HydrophobicContact CB-CD2 3.67Å; M128-F158 HydrophobicContact CB-CE2 4.13Å; M128-F158 HydrophobicContact CB-CG 4.46Å; M128-F158 HydrophobicContact CG-CD2 3.68Å; M128-F158 HydrophobicContact CG-CE2 3.58Å
129V95.8Very high94.3Very high2 Ų240.2 Ų40.21%0.01219%0.191CC..Hα-helixtrans-71.2-34.1174.3178.60000111.8A125 R126 G127 F132 R133 L159 T232 A235 L236A125-V129 WeakPolarHBondContact O-CG2 3.33Å; A125-V129 PolarHBondContact O-N 3.2Å; R126-V129 PolarHBondContact O-N 3.04Å; G127-V129 VanDerWaalsContact C-N 3.34Å; G127-V129 PolarHBondContact O-N 3.38Å; V129-F132 PolarHBondContact O-N 2.9Å; V129-R133 WeakPolarHBondContact O-CG 3.36Å; V129-R133 PolarHBondContact O-N 2.78Å; V129-R133 VanDerWaalsContact O-N 3.08Å; V129-L159 HydrophobicContact CG2-CD2 3.73Å; V129-L159 HydrophobicContact CG2-CG 4.35Å; V129-T232 HydrophobicContact CG2-CG2 3.96Å; V129-A235 HydrophobicContact CB-CB 4.02Å; V129-A235 HydrophobicContact CG1-CB 3.82Å; V129-L236 HydrophobicContact CG1-CB 3.96Å; V129-L236 HydrophobicContact CG1-CD1 4.08Å
130Q95.4Very high94.5Very high9 Ų940.8 Ų40.84%0.04220%0.196CC..Hα-helixtrans-60.3-46.8170.9-73.2176.6-48.100111.1T80 R126 G127 F132 R133 L134 A235 P239T80-Q130 HydrophobicContact CG2-CB 3.91Å; R126-Q130 HydrophobicContact CG-CG 4.36Å; R126-Q130 WeakPolarHBondContact O-CG 3.5Å; R126-Q130 PolarHBondContact O-N 2.79Å; G127-Q130 WeakPolarHBondContact O-CA 3.48Å; G127-Q130 WeakPolarHBondContact O-CB 3.43Å; G127-Q130 PolarHBondContact O-N 2.74Å; G127-Q130 VanDerWaalsContact O-N 3.1Å; Q130-F132 VanDerWaalsContact C-N 3.34Å; Q130-F132 PolarHBondContact O-N 3.11Å; Q130-R133 PolarHBondContact O-N 2.77Å; Q130-R133 VanDerWaalsContact O-N 3.16Å; Q130-L134 HydrophobicContact CB-CD1 4.46Å; Q130-L134 WeakPolarHBondContact O-CB 3.14Å; Q130-L134 WeakPolarHBondContact O-CG 3.21Å; Q130-L134 PolarHBondContact O-N 3.15Å; Q130-A235 HydrophobicContact CG-CB 4.07Å; Q130-P239 HydrophobicContact CG-CB 4.23Å; Q130-P239 WeakPolarHBondContact CG-O 3.28Å; Q130-P239 PolarHBondContact NE2-O 3.16Å
131I95.8Very high94.7Very high1 Ų146.6 Ų46.61%0.00522%0.221CC..Hα-helixtrans-58.6-47.9175.6-61167.4000109.7T80 T82 A85 H86 L89 G127 M128 R133 L134 D135 M155T80-I131 HydrophobicContact CG2-CG1 3.75Å; T82-I131 VanDerWaalsContact OG1-CD1 3.32Å; T82-I131 WeakPolarHBondContact OG1-CD1 3.42Å; A85-I131 HydrophobicContact CB-CD1 3.95Å; H86-I131 HydrophobicContact CB-CD1 3.72Å; H86-I131 HydrophobicContact CB-CG1 3.89Å; L89-I131 HydrophobicContact CD2-CG2 3.48Å; L89-I131 VanDerWaalsContact CD2-CG2 3.48Å; G127-I131 WeakPolarHBondContact O-CG1 3.38Å; G127-I131 PolarHBondContact O-N 3.27Å; M128-I131 PolarHBondContact O-N 3.04Å; M128-I131 HydrophobicContact SD-CD1 4.24Å; I131-R133 PolarHBondContact O-N 2.73Å; I131-R133 VanDerWaalsContact O-N 3.12Å; I131-L134 PolarHBondContact O-N 2.69Å; I131-D135 HydrophobicContact CG2-CB 4.45Å; I131-D135 CarbonylContact O-C 3.5Å; I131-D135 WeakPolarHBondContact O-CA 3.39Å; I131-D135 PolarHBondContact O-N 3.38Å; I131-M155 HydrophobicContact CB-CE 4.07Å; I131-M155 HydrophobicContact CG2-CE 3.45Å; I131-M155 VanDerWaalsContact CG2-CE 3.45Å
132F96.2Very high94.8Very high26 Ų2647.7 Ų47.711%0.11424%0.239CC..Hα-helixtrans-55-34.9178.5-177.4-108.6000113.2M128 V129 Q130 N136 P137 L138 M155 F156 L236M128-F132 PolarHBondContact O-N 3.17Å; V129-F132 PolarHBondContact O-N 2.9Å; Q130-F132 VanDerWaalsContact C-N 3.34Å; Q130-F132 PolarHBondContact O-N 3.11Å; F132-N136 WeakPolarHBondContact O-CA 3.3Å; F132-N136 VanDerWaalsContact O-CB 3.27Å; F132-N136 WeakPolarHBondContact O-CB 3.47Å; F132-N136 PolarHBondContact O-ND2 3.4Å; F132-P137 HydrophobicContact CD2-CG 4.42Å; F132-L138 HydrophobicContact CE2-CD1 4.21Å; F132-M155 HydrophobicContact CB-CB 4.25Å; F132-M155 HydrophobicContact CB-CG 4.28Å; F132-M155 HydrophobicContact CB-SD 3.6Å; F132-M155 HydrophobicContact CD2-SD 3.77Å; F132-M155 HydrophobicContact CG-SD 4.17Å; F132-F156 HydrophobicContact CD1-CE1 4.45Å; F132-F156 HydrophobicContact CD2-CE1 4.13Å; F132-F156 AromaticContact CE1-CE1 3.96Å; F132-F156 HydrophobicContact CE1-CE1 3.96Å; F132-F156 AromaticContact CE2-CE1 3.61Å; F132-F156 HydrophobicContact CE2-CE1 3.61Å; F132-F156 HydrophobicContact CE2-CZ 4.22Å; F132-F156 AromaticContact CZ-CE1 3.51Å; F132-F156 HydrophobicContact CZ-CE1 3.51Å; F132-F156 AromaticContact CZ-CZ 3.94Å; F132-F156 HydrophobicContact CZ-CZ 3.94Å; F132-L236 HydrophobicContact CD1-CD1 4.3Å; F132-L236 HydrophobicContact CE1-CD1 4.49Å
133R95Very high95Very high123 Ų12346.4 Ų46.446%0.46423%0.232SC..Hα-helixtrans-86.4-38.2-179.8-69.7-65.3-67.3146.91.3114.3V129 Q130 I131 L236 P239V129-R133 WeakPolarHBondContact O-CG 3.36Å; V129-R133 PolarHBondContact O-N 2.78Å; V129-R133 VanDerWaalsContact O-N 3.08Å; Q130-R133 PolarHBondContact O-N 2.77Å; Q130-R133 VanDerWaalsContact O-N 3.16Å; I131-R133 PolarHBondContact O-N 2.73Å; I131-R133 VanDerWaalsContact O-N 3.12Å; R133-L236 VanDerWaalsContact CD-O 3.3Å; R133-L236 WeakPolarHBondContact CD-O 3.24Å; R133-L236 HydrophobicContact CG-CD1 4.23Å; R133-L236 PolarHBondContact NE-O 2.94Å; R133-P239 HydrophobicContact CB-CB 4.13Å; R133-P239 HydrophobicContact CB-CG 4.12Å
134L94.6Very high95.2Very high64 Ų6447.8 Ų47.834%0.33524%0.241SC..Hα-helixtrans-89.4-33.7-174.7-64.4176.4000112.8T80 Q130 I131 P239 H240T80-L134 HydrophobicContact CG2-CD1 4.12Å; Q130-L134 HydrophobicContact CB-CD1 4.46Å; Q130-L134 WeakPolarHBondContact O-CB 3.14Å; Q130-L134 WeakPolarHBondContact O-CG 3.21Å; Q130-L134 PolarHBondContact O-N 3.15Å; I131-L134 PolarHBondContact O-N 2.69Å; L134-P239 HydrophobicContact CD1-CB 4.16Å; L134-P239 HydrophobicContact CD2-CB 3.97Å; L134-P239 HydrophobicContact CD2-CG 3.55Å; L134-P239 HydrophobicContact CG-CB 3.86Å; L134-P239 HydrophobicContact CG-CG 3.99Å; L134-H240 WeakPolarHBondContact CD2-NE2 3.28Å
135D95.1Very high95.3Very high29 Ų2951.4 Ų51.416%0.15526%0.259CS..SBendtrans-136.565.5-177.5-167.8-8.8000110H86 L89 R93 I131 P137H86-D135 IonicContact CD2-OD2 2.79Å; H86-D135 WeakPolarHBondContact NE2-CB 3.48Å; H86-D135 IonicContact NE2-OD2 2.92Å; H86-D135 PolarHBondContact NE2-OD2 2.61Å; L89-D135 HydrophobicContact CD2-CB 3.97Å; L89-D135 VanDerWaalsContact CD2-O 3.3Å; L89-D135 WeakPolarHBondContact CD2-O 3.46Å; R93-D135 IonicContact CZ-OD1 3.61Å; R93-D135 IonicContact NE-OD1 3.96Å; R93-D135 PolarHBondContact NE-OD1 3.35Å; R93-D135 IonicContact NE-OD2 2.67Å; R93-D135 IonicContact NH2-OD1 3.24Å; R93-D135 PolarHBondContact NH2-OD1 2.8Å; I131-D135 HydrophobicContact CG2-CB 4.45Å; I131-D135 CarbonylContact O-C 3.5Å; I131-D135 WeakPolarHBondContact O-CA 3.39Å; I131-D135 PolarHBondContact O-N 3.38Å; D135-P137 WeakPolarHBondContact O-CD 3.45Å
136N95.8Very high95.4Very high34 Ų3452.6 Ų52.618%0.18227%0.269CS..  trans-63.4118.8-168.9-172.5-39.2000112.7R93 F132 L138 T139 G140R93-N136 PolarHBondContact NH2-O 2.92Å; F132-N136 WeakPolarHBondContact O-CA 3.3Å; F132-N136 VanDerWaalsContact O-CB 3.27Å; F132-N136 WeakPolarHBondContact O-CB 3.47Å; F132-N136 PolarHBondContact O-ND2 3.4Å; N136-L138 VanDerWaalsContact C-N 3.27Å; N136-L138 PolarHBondContact O-N 3.39Å; N136-L138 WeakPolarHBondContact OD1-CA 3.47Å; N136-L138 VanDerWaalsContact OD1-CB 3.29Å; N136-L138 WeakPolarHBondContact OD1-CB 3.49Å; N136-L138 PolarHBondContact OD1-N 3.29Å; N136-T139 PolarHBondContact O-N 3.39Å; N136-G140 PolarHBondContact O-N 2.77Å
137P95.5Very high95.6Very high0 Ų051.5 Ų51.50%027%0.265CS..THydrogen-bonded Turntrans-67.4-23.1-178.828.4-36.9000113.4L89 F132 D135 L143 R148 Y151 V152 M155L89-P137 HydrophobicContact CD1-CB 4.41Å; F132-P137 HydrophobicContact CD2-CG 4.42Å; D135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-L143 HydrophobicContact CB-CD1 3.98Å; P137-R148 VanDerWaalsContact O-CG 3.26Å; P137-R148 WeakPolarHBondContact O-CG 3.34Å; P137-R148 PolarHBondContact O-NH1 3.1Å; P137-Y151 HydrophobicContact CB-CG 4.39Å; P137-V152 HydrophobicContact CG-CG2 3.78Å; P137-M155 HydrophobicContact CG-CE 3.9Å; P137-M155 HydrophobicContact CG-SD 3.65Å
138L95.1Very high95.7Very high85 Ų8553.6 Ų53.645%0.44527%0.273SS..THydrogen-bonded Turntrans-75.3-38.8179.2-68.3171.4000112.8F132 N136 R148 V152F132-L138 HydrophobicContact CE2-CD1 4.21Å; N136-L138 VanDerWaalsContact C-N 3.27Å; N136-L138 PolarHBondContact O-N 3.39Å; N136-L138 WeakPolarHBondContact OD1-CA 3.47Å; N136-L138 VanDerWaalsContact OD1-CB 3.29Å; N136-L138 WeakPolarHBondContact OD1-CB 3.49Å; N136-L138 PolarHBondContact OD1-N 3.29Å; L138-R148 VanDerWaalsContact C-NH1 3.33Å; L138-R148 PolarHBondContact O-NH1 3.42Å; L138-V152 HydrophobicContact CD1-CG2 4.05Å; L138-V152 HydrophobicContact CD2-CG2 3.63Å; L138-V152 HydrophobicContact CG-CG2 3.54Å
139T94.3Very high95.8Very high115 Ų11556.5 Ų56.571%0.70629%0.288SS*.THydrogen-bonded Turntrans-105.7-26.2-171.157.60000113.9N136N136-T139 PolarHBondContact O-N 3.39Å
140G92.5Very high95.8Very high20 Ų2057 Ų5721%0.20629%0.291CS..SBendtrans-71.1158.6-18000000112.9R93 N136 R148R93-G140 PolarHBondContact NH1-O 2.83Å; R93-G140 VanDerWaalsContact NH1-O 3.15Å; N136-G140 PolarHBondContact O-N 2.77Å; G140-R148 VanDerWaalsContact O-CZ 3.27Å; G140-R148 PolarHBondContact O-NH1 3.39Å; G140-R148 PolarHBondContact O-NH2 2.82Å
141K95Very high95.9Very high186 Ų18656.7 Ų56.781%0.80929%0.29SS*.SBendtrans-81.9162.6-178.6-60.7-178.2-178.7179.40112.9R93R93-K141 PolarHBondContact NH1-O 3.47Å
142G95.7Very high96Very high45 Ų4557.4 Ų57.446%0.46429%0.294SS..SBendtrans95.1-816800000117R93R93-G142 VanDerWaalsContact O-CA 3.29Å; R93-G142 WeakPolarHBondContact O-CA 3.24Å
143L97.2Very high96Very high13 Ų1361 Ų617%0.06831%0.314CS..  trans-100141.4175.3-63.8179000112.7L89 H92 R93 P137 Q147 R148 Y151L89-L143 HydrophobicContact CD1-CD1 3.65Å; L89-L143 HydrophobicContact CD1-CD2 4.34Å; L89-L143 HydrophobicContact CD1-CG 4.44Å; H92-L143 HydrophobicContact CB-CD2 3.55Å; R93-L143 HydrophobicContact CG-CD2 3.99Å; R93-L143 HydrophobicContact CG-CG 3.94Å; P137-L143 HydrophobicContact CB-CD1 3.98Å; L143-Q147 HydrophobicContact CB-CB 4.37Å; L143-Q147 HydrophobicContact CD2-CB 4.31Å; L143-R148 HydrophobicContact CB-CG 3.75Å; L143-R148 HydrophobicContact CD1-CG 4.15Å; L143-R148 PolarHBondContact O-NE 3.08Å; L143-R148 VanDerWaalsContact O-NE 3.16Å; L143-R148 PolarHBondContact O-NH2 3.4Å; L143-Y151 HydrophobicContact CD1-CD2 4.25Å; L143-Y151 HydrophobicContact CD2-CE2 4.48Å
144K96.6Very high96Very high119 Ų11955.9 Ų55.952%0.51730%0.299SS..  trans-65.9152165.4-60.7168.9-174.1162.40110D54 A146 Q147 R148D54-K144 IonicContact OD2-NZ 3.89Å; D54-K144 PolarHBondContact OD2-NZ 3.21Å; K144-A146 VanDerWaalsContact C-N 3.31Å; K144-A146 PolarHBondContact O-N 2.89Å; K144-Q147 HydrophobicContact CB-CB 4.45Å; K144-Q147 HydrophobicContact CB-CG 4.19Å; K144-Q147 WeakPolarHBondContact O-CB 3.32Å; K144-Q147 PolarHBondContact O-N 2.76Å; K144-Q147 VanDerWaalsContact O-N 3.15Å; K144-R148 WeakPolarHBondContact O-CG 3.25Å; K144-R148 PolarHBondContact O-N 3.31Å
145F96.5Very high96Very high154 Ų15453 Ų5368%0.67528%0.283SS*.Hα-helixtrans-54.4-44.7179.7179.2-106.9000113Q147 R148 L149F145-Q147 PolarHBondContact O-N 3.48Å; F145-R148 WeakPolarHBondContact O-CB 3.24Å; F145-R148 PolarHBondContact O-N 3.41Å; F145-R148 VanDerWaalsContact O-N 3.16Å; F145-L149 HydrophobicContact CD1-CD1 4.17Å; F145-L149 HydrophobicContact CE1-CD1 3.54Å; F145-L149 HydrophobicContact CE1-CG 4.19Å; F145-L149 HydrophobicContact CE2-CD2 4.48Å; F145-L149 HydrophobicContact CZ-CD1 3.83Å; F145-L149 HydrophobicContact CZ-CD2 4.2Å; F145-L149 HydrophobicContact CZ-CG 4.15Å; F145-L149 PolarHBondContact O-N 2.77Å; F145-L149 VanDerWaalsContact O-N 3.16Å
146A96.6Very high96Very high24 Ų2456.1 Ų56.120%0.19830%0.296CS..Hα-helixtrans-61.3-44.4177.800000112.6W53 K144 R148 L149 C150W53-A146 HydrophobicContact CB-CB 3.95Å; W53-A146 HydrophobicContact CD2-CB 3.86Å; W53-A146 HydrophobicContact CE3-CB 3.54Å; W53-A146 HydrophobicContact CG-CB 4.05Å; W53-A146 HydrophobicContact CZ3-CB 4.32Å; K144-A146 VanDerWaalsContact C-N 3.31Å; K144-A146 PolarHBondContact O-N 2.89Å; A146-R148 VanDerWaalsContact C-N 3.28Å; A146-R148 PolarHBondContact O-N 2.83Å; A146-L149 PolarHBondContact O-N 3.1Å; A146-L149 VanDerWaalsContact O-N 3.11Å; A146-C150 PolarHBondContact O-N 3.37Å; A146-C150 PolarHBondContact O-SG 2.71Å
147Q97.7Very high95.9Very high4 Ų458.8 Ų58.82%0.01931%0.307CS..Hα-helixtrans-57.3-42.6174.3-69.4171.5-37.300111.3D54 A55 L143 K144 F145 L149 C150 Y151D54-Q147 WeakPolarHBondContact O-CG 3.37Å; D54-Q147 PolarHBondContact O-NE2 2.94Å; D54-Q147 PolarHBondContact OD2-NE2 2.79Å; A55-Q147 HydrophobicContact CB-CB 4.44Å; A55-Q147 HydrophobicContact CB-CG 4.1Å; L143-Q147 HydrophobicContact CB-CB 4.37Å; L143-Q147 HydrophobicContact CD2-CB 4.31Å; K144-Q147 HydrophobicContact CB-CB 4.45Å; K144-Q147 HydrophobicContact CB-CG 4.19Å; K144-Q147 WeakPolarHBondContact O-CB 3.32Å; K144-Q147 PolarHBondContact O-N 2.76Å; K144-Q147 VanDerWaalsContact O-N 3.15Å; F145-Q147 PolarHBondContact O-N 3.48Å; Q147-L149 VanDerWaalsContact C-N 3.3Å; Q147-L149 PolarHBondContact O-N 2.8Å; Q147-C150 PolarHBondContact O-N 3.37Å; Q147-Y151 VanDerWaalsContact O-CD2 3.24Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.31Å; Q147-Y151 PolarHBondContact O-N 3.3Å
148R97.6Very high95.8Very high44 Ų4460.3 Ų60.317%0.16631%0.314CS..Hα-helixtrans-57.7-44.7177-59.5176.6-176.2-931.2111.3P137 L138 G140 L143 K144 F145 A146 Y151 V152P137-R148 VanDerWaalsContact O-CG 3.26Å; P137-R148 WeakPolarHBondContact O-CG 3.34Å; P137-R148 PolarHBondContact O-NH1 3.1Å; L138-R148 VanDerWaalsContact C-NH1 3.33Å; L138-R148 PolarHBondContact O-NH1 3.42Å; G140-R148 VanDerWaalsContact O-CZ 3.27Å; G140-R148 PolarHBondContact O-NH1 3.39Å; G140-R148 PolarHBondContact O-NH2 2.82Å; L143-R148 HydrophobicContact CB-CG 3.75Å; L143-R148 HydrophobicContact CD1-CG 4.15Å; L143-R148 PolarHBondContact O-NE 3.08Å; L143-R148 VanDerWaalsContact O-NE 3.16Å; L143-R148 PolarHBondContact O-NH2 3.4Å; K144-R148 WeakPolarHBondContact O-CG 3.25Å; K144-R148 PolarHBondContact O-N 3.31Å; F145-R148 WeakPolarHBondContact O-CB 3.24Å; F145-R148 PolarHBondContact O-N 3.41Å; F145-R148 VanDerWaalsContact O-N 3.16Å; A146-R148 VanDerWaalsContact C-N 3.28Å; A146-R148 PolarHBondContact O-N 2.83Å; R148-Y151 PolarHBondContact O-N 3.17Å; R148-V152 WeakPolarHBondContact O-CB 3.33Å; R148-V152 WeakPolarHBondContact O-CG2 3.44Å; R148-V152 PolarHBondContact O-N 2.97Å
149L97Very high95.8Very high89 Ų8958.3 Ų58.347%0.46630%0.303SS..Hα-helixtrans-64.5-42.8177.8-64.3-178000112.1F145 A146 Q147 V152 N153F145-L149 HydrophobicContact CD1-CD1 4.17Å; F145-L149 HydrophobicContact CE1-CD1 3.54Å; F145-L149 HydrophobicContact CE1-CG 4.19Å; F145-L149 HydrophobicContact CE2-CD2 4.48Å; F145-L149 HydrophobicContact CZ-CD1 3.83Å; F145-L149 HydrophobicContact CZ-CD2 4.2Å; F145-L149 HydrophobicContact CZ-CG 4.15Å; F145-L149 PolarHBondContact O-N 2.77Å; F145-L149 VanDerWaalsContact O-N 3.16Å; A146-L149 PolarHBondContact O-N 3.1Å; A146-L149 VanDerWaalsContact O-N 3.11Å; Q147-L149 VanDerWaalsContact C-N 3.3Å; Q147-L149 PolarHBondContact O-N 2.8Å; L149-V152 PolarHBondContact O-N 3.41Å; L149-N153 VanDerWaalsContact O-CB 3.24Å; L149-N153 WeakPolarHBondContact O-CB 3.3Å; L149-N153 PolarHBondContact O-N 3.37Å
150C97.4Very high95.8Very high12 Ų1254 Ų548%0.08128%0.278CS..Hα-helixtrans-58.7-49175.7-69.90000112N50 A55 F57 A146 Q147 N153 A154N50-C150 PolarHBondContact OD1-SG 2.76Å; A55-C150 HydrophobicContact CB-CB 3.54Å; F57-C150 HydrophobicContact CZ-CB 4.43Å; A146-C150 PolarHBondContact O-N 3.37Å; A146-C150 PolarHBondContact O-SG 2.71Å; Q147-C150 PolarHBondContact O-N 3.37Å; C150-N153 PolarHBondContact O-N 2.93Å; C150-A154 PolarHBondContact O-N 3.26Å; C150-A154 VanDerWaalsContact O-N 3.07Å
151Y97.4Very high95.9Very high4 Ų453 Ų532%0.01627%0.268CS..Hα-helixtrans-62.8-45.7177.3-84.2-74.9000112.1F57 S88 L89 H92 P137 L143 Q147 R148 N153 A154 M155F57-Y151 HydrophobicContact CD1-CD1 4.09Å; F57-Y151 AromaticContact CD1-CE1 3.53Å; F57-Y151 HydrophobicContact CD1-CE1 3.53Å; F57-Y151 AromaticContact CD1-CZ 3.82Å; F57-Y151 AromaticContact CE1-CD1 3.38Å; F57-Y151 HydrophobicContact CE1-CD1 3.38Å; F57-Y151 HydrophobicContact CE1-CD2 4.21Å; F57-Y151 AromaticContact CE1-CE1 3.27Å; F57-Y151 HydrophobicContact CE1-CE1 3.27Å; F57-Y151 HydrophobicContact CE1-CE2 4.09Å; F57-Y151 AromaticContact CE1-CG 3.85Å; F57-Y151 HydrophobicContact CE1-CG 3.85Å; F57-Y151 AromaticContact CE1-CZ 3.6Å; F57-Y151 HydrophobicContact CZ-CD1 4.28Å; F57-Y151 HydrophobicContact CZ-CE1 4.49Å; S88-Y151 VanDerWaalsContact CB-OH 3.26Å; S88-Y151 WeakPolarHBondContact CB-OH 3.41Å; S88-Y151 PolarHBondContact O-OH 2.99Å; L89-Y151 VanDerWaalsContact CA-OH 3.29Å; L89-Y151 WeakPolarHBondContact CA-OH 3.34Å; L89-Y151 HydrophobicContact CB-CD1 4.39Å; L89-Y151 HydrophobicContact CB-CE1 3.7Å; L89-Y151 HydrophobicContact CD1-CD1 4.07Å; L89-Y151 HydrophobicContact CD1-CD2 4Å; L89-Y151 HydrophobicContact CD1-CE1 4Å; L89-Y151 HydrophobicContact CD1-CE2 3.98Å; L89-Y151 HydrophobicContact CD1-CG 4.1Å; L89-Y151 HydrophobicContact CG-CE1 4.4Å; L89-Y151 PolarHBondContact N-OH 3.03Å; H92-Y151 PolarHBondContact CE1-OH 3.37Å; H92-Y151 AromaticContact ND1-CE2 3.41Å; H92-Y151 WeakPolarHBondContact ND1-CE2 3.34Å; H92-Y151 AromaticContact ND1-CZ 3.46Å; H92-Y151 PolarHBondContact ND1-OH 2.92Å; P137-Y151 HydrophobicContact CB-CG 4.39Å; L143-Y151 HydrophobicContact CD1-CD2 4.25Å; L143-Y151 HydrophobicContact CD2-CE2 4.48Å; Q147-Y151 VanDerWaalsContact O-CD2 3.24Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.31Å; Q147-Y151 PolarHBondContact O-N 3.3Å; R148-Y151 PolarHBondContact O-N 3.17Å; Y151-N153 VanDerWaalsContact C-N 3.35Å; Y151-N153 PolarHBondContact O-N 3.02Å; Y151-A154 PolarHBondContact O-N 3.35Å; Y151-M155 HydrophobicContact CD1-CE 3.94Å; Y151-M155 HydrophobicContact CG-CE 4.46Å; Y151-M155 VanDerWaalsContact O-CG 3.23Å; Y151-M155 WeakPolarHBondContact O-CG 3.4Å; Y151-M155 PolarHBondContact O-N 3.18Å
152V96.6Very high95.9Very high16 Ų1647.1 Ų47.110%0.09725%0.245CC..Hα-helixtrans-63.4-42.1178.9170.60000111.2P137 L138 R148 L149 A154 M155 F156P137-V152 HydrophobicContact CG-CG2 3.78Å; L138-V152 HydrophobicContact CD1-CG2 4.05Å; L138-V152 HydrophobicContact CD2-CG2 3.63Å; L138-V152 HydrophobicContact CG-CG2 3.54Å; R148-V152 WeakPolarHBondContact O-CB 3.33Å; R148-V152 WeakPolarHBondContact O-CG2 3.44Å; R148-V152 PolarHBondContact O-N 2.97Å; L149-V152 PolarHBondContact O-N 3.41Å; V152-A154 VanDerWaalsContact C-N 3.35Å; V152-A154 PolarHBondContact O-N 3.22Å; V152-M155 PolarHBondContact O-N 3.12Å; V152-F156 HydrophobicContact CG1-CD1 4.1Å; V152-F156 HydrophobicContact CG1-CD2 3.92Å; V152-F156 HydrophobicContact CG1-CE1 4.11Å; V152-F156 HydrophobicContact CG1-CE2 3.92Å; V152-F156 HydrophobicContact CG1-CG 4.02Å; V152-F156 HydrophobicContact CG1-CZ 4.02Å; V152-F156 VanDerWaalsContact O-CB 3.29Å; V152-F156 WeakPolarHBondContact O-CB 3.4Å; V152-F156 PolarHBondContact O-N 3.16Å
153N96.2Very high95.9Very high100 Ų10047.8 Ų47.854%0.53524%0.241SC..Hα-helixtrans-57.8-47.4175.5178.566.4000111.3L149 C150 Y151 M155 H157L149-N153 VanDerWaalsContact O-CB 3.24Å; L149-N153 WeakPolarHBondContact O-CB 3.3Å; L149-N153 PolarHBondContact O-N 3.37Å; C150-N153 PolarHBondContact O-N 2.93Å; Y151-N153 VanDerWaalsContact C-N 3.35Å; Y151-N153 PolarHBondContact O-N 3.02Å; N153-M155 PolarHBondContact O-N 3.14Å; N153-H157 WeakPolarHBondContact O-CB 3.29Å; N153-H157 PolarHBondContact O-N 3.42Å
154A95.5Very high95.9Very high16 Ų1649 Ų4913%0.13225%0.245CC..Hα-helixtrans-62.2-4117700000112.6F57 C150 Y151 V152 F158F57-A154 HydrophobicContact CE2-CB 3.81Å; F57-A154 HydrophobicContact CZ-CB 3.8Å; C150-A154 PolarHBondContact O-N 3.26Å; C150-A154 VanDerWaalsContact O-N 3.07Å; Y151-A154 PolarHBondContact O-N 3.35Å; V152-A154 VanDerWaalsContact C-N 3.35Å; V152-A154 PolarHBondContact O-N 3.22Å; A154-F158 VanDerWaalsContact O-CD2 3.31Å; A154-F158 WeakPolarHBondContact O-CD2 3.41Å
155M95.5Very high95.9Very high3 Ų345 Ų452%0.01523%0.229CC..Hα-helixtrans-72-43.2-179.9-66.7169-169.900112.7L89 M128 I131 F132 P137 Y151 V152 N153 H157 F158L89-M155 HydrophobicContact CD2-CE 4.49Å; M128-M155 HydrophobicContact CB-CG 4.46Å; M128-M155 HydrophobicContact SD-CG 4.48Å; I131-M155 HydrophobicContact CB-CE 4.07Å; I131-M155 HydrophobicContact CG2-CE 3.45Å; I131-M155 VanDerWaalsContact CG2-CE 3.45Å; F132-M155 HydrophobicContact CB-CB 4.25Å; F132-M155 HydrophobicContact CB-CG 4.28Å; F132-M155 HydrophobicContact CB-SD 3.6Å; F132-M155 HydrophobicContact CD2-SD 3.77Å; F132-M155 HydrophobicContact CG-SD 4.17Å; P137-M155 HydrophobicContact CG-CE 3.9Å; P137-M155 HydrophobicContact CG-SD 3.65Å; Y151-M155 HydrophobicContact CD1-CE 3.94Å; Y151-M155 HydrophobicContact CG-CE 4.46Å; Y151-M155 VanDerWaalsContact O-CG 3.23Å; Y151-M155 WeakPolarHBondContact O-CG 3.4Å; Y151-M155 PolarHBondContact O-N 3.18Å; V152-M155 PolarHBondContact O-N 3.12Å; N153-M155 PolarHBondContact O-N 3.14Å; M155-H157 VanDerWaalsContact C-N 3.32Å; M155-H157 PolarHBondContact O-N 3.48Å; M155-F158 PolarHBondContact O-N 3.12Å
156F94.6Very high95.9Very high96 Ų9642.2 Ų42.242%0.42122%0.22SC..Hα-helixtrans-71.9-27.5-178.1-80.817.4000112.4F132 V152 F158 L159F132-F156 HydrophobicContact CD1-CE1 4.45Å; F132-F156 HydrophobicContact CD2-CE1 4.13Å; F132-F156 AromaticContact CE1-CE1 3.96Å; F132-F156 HydrophobicContact CE1-CE1 3.96Å; F132-F156 AromaticContact CE2-CE1 3.61Å; F132-F156 HydrophobicContact CE2-CE1 3.61Å; F132-F156 HydrophobicContact CE2-CZ 4.22Å; F132-F156 AromaticContact CZ-CE1 3.51Å; F132-F156 HydrophobicContact CZ-CE1 3.51Å; F132-F156 AromaticContact CZ-CZ 3.94Å; F132-F156 HydrophobicContact CZ-CZ 3.94Å; V152-F156 HydrophobicContact CG1-CD1 4.1Å; V152-F156 HydrophobicContact CG1-CD2 3.92Å; V152-F156 HydrophobicContact CG1-CE1 4.11Å; V152-F156 HydrophobicContact CG1-CE2 3.92Å; V152-F156 HydrophobicContact CG1-CG 4.02Å; V152-F156 HydrophobicContact CG1-CZ 4.02Å; V152-F156 VanDerWaalsContact O-CB 3.29Å; V152-F156 WeakPolarHBondContact O-CB 3.4Å; V152-F156 PolarHBondContact O-N 3.16Å; F156-F158 PolarHBondContact O-N 2.96Å; F156-L159 HydrophobicContact CD1-CD1 4.01Å; F156-L159 HydrophobicContact CE1-CD1 4.39Å; F156-L159 HydrophobicContact CG-CD1 4.45Å; F156-L159 WeakPolarHBondContact O-CB 3.26Å; F156-L159 PolarHBondContact O-N 3.5Å
157H93.9Very high95.8Very high89 Ų8946.3 Ų46.341%0.41223%0.233SC..Hα-helixtrans-52.4-38.2173.4178.964.3000112.1N153 M155 L159 S160N153-H157 WeakPolarHBondContact O-CB 3.29Å; N153-H157 PolarHBondContact O-N 3.42Å; M155-H157 VanDerWaalsContact C-N 3.32Å; M155-H157 PolarHBondContact O-N 3.48Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.45Å; H157-S160 WeakPolarHBondContact O-CB 3.32Å; H157-S160 PolarHBondContact O-N 3Å; H157-S160 PolarHBondContact O-OG 3.13Å
158F93.7Very high95.7Very high32 Ų3246.3 Ų46.314%0.1423%0.233CC..G310 helixtrans-75-11.1178.8-71.3-73.1000114.7W124 A125 M128 A154 M155 F156 S160W124-F158 HydrophobicContact CB-CE1 3.93Å; W124-F158 HydrophobicContact CB-CZ 3.89Å; A125-F158 HydrophobicContact CB-CB 3.91Å; A125-F158 HydrophobicContact CB-CD1 3.46Å; A125-F158 VanDerWaalsContact CB-CD1 3.46Å; A125-F158 HydrophobicContact CB-CE1 4.26Å; A125-F158 HydrophobicContact CB-CG 3.95Å; M128-F158 HydrophobicContact CB-CD2 3.67Å; M128-F158 HydrophobicContact CB-CE2 4.13Å; M128-F158 HydrophobicContact CB-CG 4.46Å; M128-F158 HydrophobicContact CG-CD2 3.68Å; M128-F158 HydrophobicContact CG-CE2 3.58Å; A154-F158 VanDerWaalsContact O-CD2 3.31Å; A154-F158 WeakPolarHBondContact O-CD2 3.41Å; M155-F158 PolarHBondContact O-N 3.12Å; F156-F158 PolarHBondContact O-N 2.96Å; F158-S160 VanDerWaalsContact C-N 3.27Å
159L94.9Very high95.6Very high43 Ų4346.6 Ų46.623%0.22524%0.24CC..G310 helixtrans-81.9-6171.4-61175.5000112.7V129 F156 H157 G161 I162 P163V129-L159 HydrophobicContact CG2-CD2 3.73Å; V129-L159 HydrophobicContact CG2-CG 4.35Å; F156-L159 HydrophobicContact CD1-CD1 4.01Å; F156-L159 HydrophobicContact CE1-CD1 4.39Å; F156-L159 HydrophobicContact CG-CD1 4.45Å; F156-L159 WeakPolarHBondContact O-CB 3.26Å; F156-L159 PolarHBondContact O-N 3.5Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.45Å; L159-G161 PolarHBondContact O-N 2.89Å; L159-G161 VanDerWaalsContact O-N 3.11Å; L159-I162 PolarHBondContact O-N 3.34Å; L159-P163 WeakPolarHBondContact O-CD 3.49Å
160S94.1Very high95.6Very high24 Ų2443.4 Ų43.417%0.16823%0.227CC..G310 helixtrans-58.7-21.4-178.858.20000114.6H157 F158 I162 P163 R164H157-S160 WeakPolarHBondContact O-CB 3.32Å; H157-S160 PolarHBondContact O-N 3Å; H157-S160 PolarHBondContact O-OG 3.13Å; F158-S160 VanDerWaalsContact C-N 3.27Å; S160-I162 VanDerWaalsContact C-N 3.31Å; S160-I162 PolarHBondContact O-N 3.1Å; S160-P163 WeakPolarHBondContact O-CD 3.03Å; S160-R164 WeakPolarHBondContact O-CB 3.22Å; S160-R164 PolarHBondContact O-N 2.87Å
161G94.2Very high95.4Very high1 Ų143.4 Ų43.41%0.0123%0.227CC..Hα-helixtrans-58.2-40.517800000113.3L159 R164 L165L159-G161 PolarHBondContact O-N 2.89Å; L159-G161 VanDerWaalsContact O-N 3.11Å; G161-R164 PolarHBondContact O-N 2.65Å; G161-L165 WeakPolarHBondContact O-CG 3.41Å; G161-L165 PolarHBondContact O-N 3.31Å; G161-L165 VanDerWaalsContact O-N 3.09Å
162I95.5Very high95.4Very high62 Ų6243.5 Ų43.532%0.31823%0.228SC..Hα-helixtrans-68.4-53.5179.4-64.5171.1000111.2L159 S160 R164 L165 I166 A229L159-I162 PolarHBondContact O-N 3.34Å; S160-I162 VanDerWaalsContact C-N 3.31Å; S160-I162 PolarHBondContact O-N 3.1Å; I162-R164 VanDerWaalsContact C-N 3.25Å; I162-R164 PolarHBondContact O-N 2.89Å; I162-L165 PolarHBondContact O-N 3.49Å; I162-I166 HydrophobicContact CG2-CD1 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.49Å; I162-I166 PolarHBondContact O-N 2.9Å; I162-A229 HydrophobicContact CG1-CB 3.81Å
163P95.7Very high95.3Very high59 Ų5943.9 Ų43.938%0.38323%0.232SC..Hα-helixtrans-53.1-40.2172.8-28.634.7000113.8L159 S160 I166 F167L159-P163 WeakPolarHBondContact O-CD 3.49Å; S160-P163 WeakPolarHBondContact O-CD 3.03Å; P163-I166 WeakPolarHBondContact O-CB 3.46Å; P163-I166 PolarHBondContact O-N 3.43Å; P163-F167 HydrophobicContact CB-CE2 4.43Å; P163-F167 VanDerWaalsContact O-CD2 3.29Å; P163-F167 WeakPolarHBondContact O-CD2 3.24Å; P163-F167 WeakPolarHBondContact O-CG 3.36Å; P163-F167 PolarHBondContact O-N 3.26Å
164R96.2Very high95.2Very high38 Ų3839.5 Ų39.514%0.14321%0.208CC..Hα-helixtrans-63.1-44.8179.1-1756064.2-179.73.2111.7S160 G161 I162 I166 F167 L168 E221 A225S160-R164 WeakPolarHBondContact O-CB 3.22Å; S160-R164 PolarHBondContact O-N 2.87Å; G161-R164 PolarHBondContact O-N 2.65Å; I162-R164 VanDerWaalsContact C-N 3.25Å; I162-R164 PolarHBondContact O-N 2.89Å; R164-I166 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 3.43Å; R164-F167 PolarHBondContact O-N 3.37Å; R164-L168 HydrophobicContact CG-CD1 4.32Å; R164-L168 VanDerWaalsContact O-CG 3.29Å; R164-L168 WeakPolarHBondContact O-CG 3.44Å; R164-L168 PolarHBondContact O-N 3.16Å; R164-L168 VanDerWaalsContact O-N 3.08Å; R164-E221 HydrophobicContact CG-CB 4.3Å; R164-E221 IonicContact CZ-OE2 3.46Å; R164-E221 VanDerWaalsContact CZ-OE2 3.27Å; R164-E221 IonicContact NE-OE2 3.59Å; R164-E221 PolarHBondContact NE-OE2 3.27Å; R164-E221 VanDerWaalsContact NE-OE2 3.08Å; R164-E221 IonicContact NH2-OE2 2.82Å; R164-E221 PolarHBondContact NH2-OE2 2.88Å; R164-A225 HydrophobicContact CB-CB 3.83Å; R164-A225 HydrophobicContact CG-CB 3.78Å
165L96.9Very high95.2Very high36 Ų3638.8 Ų38.819%0.18820%0.202CC..Hα-helixtrans-61.8-42174-68.2174.6000111.7G161 I162 F167 L168 T169 A225 W226 A229 L269G161-L165 WeakPolarHBondContact O-CG 3.41Å; G161-L165 PolarHBondContact O-N 3.31Å; G161-L165 VanDerWaalsContact O-N 3.09Å; I162-L165 PolarHBondContact O-N 3.49Å; L165-F167 PolarHBondContact O-N 2.96Å; L165-L168 PolarHBondContact O-N 3.12Å; L165-T169 PolarHBondContact O-N 3.26Å; L165-T169 PolarHBondContact O-OG1 3.41Å; L165-T169 VanDerWaalsContact O-OG1 3.11Å; L165-A225 HydrophobicContact CD2-CB 4.22Å; L165-A225 HydrophobicContact CG-CB 4.14Å; L165-W226 HydrophobicContact CD1-CE3 4.4Å; L165-W226 HydrophobicContact CD2-CB 4.41Å; L165-W226 HydrophobicContact CD2-CE3 3.87Å; L165-A229 HydrophobicContact CD1-CB 3.99Å; L165-L269 HydrophobicContact CD2-CD1 4.08Å
166I96.2Very high95.2Very high94 Ų9441.3 Ų41.348%0.48222%0.215SC..Hα-helixtrans-58.6-47.3175.7-67.4168.4000110.4I162 P163 R164 L168 T169 A170I162-I166 HydrophobicContact CG2-CD1 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.49Å; I162-I166 PolarHBondContact O-N 2.9Å; P163-I166 WeakPolarHBondContact O-CB 3.46Å; P163-I166 PolarHBondContact O-N 3.43Å; R164-I166 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 3.43Å; I166-L168 VanDerWaalsContact C-N 3.29Å; I166-L168 PolarHBondContact O-N 3.08Å; I166-T169 CarbonylContact O-C 3.48Å; I166-T169 PolarHBondContact O-N 3.33Å; I166-T169 VanDerWaalsContact O-N 3.12Å; I166-T169 PolarHBondContact O-OG1 3.38Å; I166-A170 WeakPolarHBondContact O-CA 3.36Å; I166-A170 VanDerWaalsContact O-CB 3.23Å; I166-A170 WeakPolarHBondContact O-CB 3.12Å; I166-A170 PolarHBondContact O-N 3.44Å
167F94.8Very high95.2Very high110 Ų11043.3 Ų43.348%0.48223%0.23SC..Hα-helixtrans-64.9-31.7179.2-68.3-41.5000113.6P163 R164 L165 T169 N305P163-F167 HydrophobicContact CB-CE2 4.43Å; P163-F167 VanDerWaalsContact O-CD2 3.29Å; P163-F167 WeakPolarHBondContact O-CD2 3.24Å; P163-F167 WeakPolarHBondContact O-CG 3.36Å; P163-F167 PolarHBondContact O-N 3.26Å; R164-F167 PolarHBondContact O-N 3.37Å; L165-F167 PolarHBondContact O-N 2.96Å; F167-T169 VanDerWaalsContact C-N 3.26Å; F167-T169 PolarHBondContact O-N 3Å; F167-N305 PolarHBondContact O-ND2 3.06Å; F167-N305 VanDerWaalsContact O-ND2 3.07Å
168L96.3Very high95.1Very high4 Ų443.2 Ų43.22%0.02123%0.23CC..Hα-helixtrans-71.4-19.9175.6-69.4169.3000113.2R164 L165 I166 T222 L269 N273 N305 L309R164-L168 HydrophobicContact CG-CD1 4.32Å; R164-L168 VanDerWaalsContact O-CG 3.29Å; R164-L168 WeakPolarHBondContact O-CG 3.44Å; R164-L168 PolarHBondContact O-N 3.16Å; R164-L168 VanDerWaalsContact O-N 3.08Å; L165-L168 PolarHBondContact O-N 3.12Å; I166-L168 VanDerWaalsContact C-N 3.29Å; I166-L168 PolarHBondContact O-N 3.08Å; L168-T222 HydrophobicContact CD1-CG2 3.83Å; L168-L269 HydrophobicContact CD1-CD1 4.14Å; L168-N273 PolarHBondContact O-ND2 2.69Å; L168-N273 VanDerWaalsContact O-ND2 3.11Å; L168-N273 PolarHBondContact O-OD1 3.34Å; L168-N305 WeakPolarHBondContact CA-ND2 3.5Å; L168-N305 HydrophobicContact CD2-CB 4.03Å; L168-N305 PolarHBondContact O-ND2 3.46Å; L168-L309 HydrophobicContact CD1-CD2 4.33Å; L168-L309 HydrophobicContact CD2-CD1 4.37Å; L168-L309 HydrophobicContact CD2-CD2 4.38Å; L168-L309 HydrophobicContact CD2-CG 4.08Å
169T96.1Very high95.1Very high50 Ų5043.8 Ų43.831%0.30724%0.24SC..Hα-helixtrans-116.9-16-178.3600000114.8L165 I166 F167 L172 L269 L272L165-T169 PolarHBondContact O-N 3.26Å; L165-T169 PolarHBondContact O-OG1 3.41Å; L165-T169 VanDerWaalsContact O-OG1 3.11Å; I166-T169 CarbonylContact O-C 3.48Å; I166-T169 PolarHBondContact O-N 3.33Å; I166-T169 VanDerWaalsContact O-N 3.12Å; I166-T169 PolarHBondContact O-OG1 3.38Å; F167-T169 VanDerWaalsContact C-N 3.26Å; F167-T169 PolarHBondContact O-N 3Å; T169-L172 WeakPolarHBondContact O-CA 3.49Å; T169-L172 WeakPolarHBondContact O-CB 3.39Å; T169-L172 PolarHBondContact O-N 2.8Å; T169-L269 HydrophobicContact CG2-CD2 4Å; T169-L272 HydrophobicContact CG2-CD2 4.24Å
170A95.4Very high94.8Very high23 Ų2345.3 Ų45.319%0.1924%0.243CC..Hα-helixtrans-51.2-51.1-176.600000114I166 L172 A173 I181I166-A170 WeakPolarHBondContact O-CA 3.36Å; I166-A170 VanDerWaalsContact O-CB 3.23Å; I166-A170 WeakPolarHBondContact O-CB 3.12Å; I166-A170 PolarHBondContact O-N 3.44Å; A170-L172 PolarHBondContact O-N 3.27Å; A170-L172 VanDerWaalsContact O-N 3.1Å; A170-A173 WeakPolarHBondContact O-CB 3.4Å; A170-A173 PolarHBondContact O-N 2.95Å; A170-A173 VanDerWaalsContact O-N 3.12Å; A170-I181 HydrophobicContact CB-CD1 3.8Å; A170-I181 WeakPolarHBondContact O-CD1 3.46Å
171P94.3Very high94.4Very high11 Ų1149 Ų497%0.07126%0.26CS..Hα-helixtrans-63.4-22179.627.8-38.2000113A173 F174 L175 W301 V302P171-A173 VanDerWaalsContact C-N 3.31Å; P171-A173 PolarHBondContact O-N 3.29Å; P171-F174 PolarHBondContact O-N 2.84Å; P171-L175 VanDerWaalsContact O-CG 3.32Å; P171-L175 WeakPolarHBondContact O-CG 3.37Å; P171-L175 PolarHBondContact O-N 3.48Å; P171-L175 VanDerWaalsContact O-N 3.1Å; P171-W301 HydrophobicContact CB-CB 4.39Å; P171-W301 HydrophobicContact CG-CB 4.41Å; P171-V302 HydrophobicContact CB-CG2 3.75Å; P171-V302 HydrophobicContact CG-CG2 3.55Å
172L96.3Very high94.1Very high7 Ų753.8 Ų53.84%0.03728%0.284CS..Hα-helixtrans-73.1-24.2-179.9-48.4-177.8000112.4T169 A170 F174 L175 L176 L272 V302T169-L172 WeakPolarHBondContact O-CA 3.49Å; T169-L172 WeakPolarHBondContact O-CB 3.39Å; T169-L172 PolarHBondContact O-N 2.8Å; A170-L172 PolarHBondContact O-N 3.27Å; A170-L172 VanDerWaalsContact O-N 3.1Å; L172-F174 VanDerWaalsContact C-N 3.33Å; L172-F174 PolarHBondContact O-N 2.79Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-L176 HydrophobicContact CB-CD1 3.99Å; L172-L176 HydrophobicContact CB-CG 4.22Å; L172-L176 WeakPolarHBondContact O-CA 3.33Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 2.59Å; L172-L272 HydrophobicContact CD1-CB 4.43Å; L172-L272 HydrophobicContact CD1-CD2 3.81Å; L172-L272 HydrophobicContact CD1-CG 3.63Å; L172-V302 HydrophobicContact CD2-CG2 3.79Å
173A95.6Very high93.7Very high23 Ų2360.4 Ų60.419%0.1931%0.307CS..Hα-helixtrans-61-45.3173.900000110.8A170 P171 L177 H178 A179 I181A170-A173 WeakPolarHBondContact O-CB 3.4Å; A170-A173 PolarHBondContact O-N 2.95Å; A170-A173 VanDerWaalsContact O-N 3.12Å; P171-A173 VanDerWaalsContact C-N 3.31Å; P171-A173 PolarHBondContact O-N 3.29Å; A173-L177 CarbonylContact O-C 3.47Å; A173-L177 WeakPolarHBondContact O-CA 3.28Å; A173-L177 VanDerWaalsContact O-CB 3.29Å; A173-L177 WeakPolarHBondContact O-CB 3.32Å; A173-L177 PolarHBondContact O-N 3.04Å; A173-H178 PolarHBondContact O-N 2.94Å; A173-A179 CarbonylContact C-O 3.33Å; A173-A179 HydrophobicContact CB-CB 4.26Å; A173-A179 PolarHBondContact O-N 3.48Å; A173-I181 HydrophobicContact CB-CD1 3.69Å; A173-I181 HydrophobicContact CB-CG1 3.91Å
174F93.9Very high93.3Very high9 Ų959.2 Ų59.24%0.03930%0.302CS..Hα-helixtrans-69.6-50.8175.2172-107.2000111.3P171 L172 H178 A179 Y180 R283 E291 T294 V295 S298P171-F174 PolarHBondContact O-N 2.84Å; L172-F174 VanDerWaalsContact C-N 3.33Å; L172-F174 PolarHBondContact O-N 2.79Å; F174-H178 VanDerWaalsContact O-CA 3.25Å; F174-H178 WeakPolarHBondContact O-CA 3.3Å; F174-H178 PolarHBondContact O-N 3.3Å; F174-A179 VanDerWaalsContact CA-O 3.29Å; F174-A179 WeakPolarHBondContact CA-O 3.28Å; F174-A179 PolarHBondContact N-O 3.48Å; F174-Y180 HydrophobicContact CD2-CD1 4.29Å; F174-Y180 HydrophobicContact CD2-CE1 4.1Å; F174-Y180 HydrophobicContact CE2-CD1 4.45Å; F174-Y180 AromaticContact CE2-CE1 3.81Å; F174-Y180 HydrophobicContact CE2-CE1 3.81Å; F174-Y180 HydrophobicContact CE2-CE2 4.36Å; F174-Y180 AromaticContact CE2-CZ 3.76Å; F174-R283 PolarHBondContact O-NH1 3.32Å; F174-R283 PolarHBondContact O-NH2 2.98Å; F174-E291 HydrophobicContact CZ-CB 4.35Å; F174-T294 HydrophobicContact CD1-CG2 4.01Å; F174-T294 HydrophobicContact CD2-CG2 4.32Å; F174-T294 HydrophobicContact CE1-CG2 3.69Å; F174-T294 HydrophobicContact CE2-CG2 4.02Å; F174-T294 HydrophobicContact CG-CG2 4.32Å; F174-T294 HydrophobicContact CZ-CG2 3.7Å; F174-V295 HydrophobicContact CE1-CB 4.45Å; F174-V295 HydrophobicContact CE1-CG2 3.74Å; F174-V295 HydrophobicContact CZ-CG2 4.04Å; F174-S298 WeakPolarHBondContact CD1-OG 3.29Å
175L94.8Very high92.9Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-64.7-45.2-173.6-66.1173.5000112.6P171 L172 V279 R283 V295 M299 V302P171-L175 VanDerWaalsContact O-CG 3.32Å; P171-L175 WeakPolarHBondContact O-CG 3.37Å; P171-L175 PolarHBondContact O-N 3.48Å; P171-L175 VanDerWaalsContact O-N 3.1Å; L172-L175 PolarHBondContact O-N 3.49Å; L175-V279 WeakPolarHBondContact O-CG1 3.32Å; L175-R283 PolarHBondContact O-NE 3.24Å; L175-R283 PolarHBondContact O-NH2 3.08Å; L175-V295 HydrophobicContact CD2-CG1 4.35Å; L175-M299 HydrophobicContact CD1-SD 4.29Å; L175-V302 HydrophobicContact CD1-CG2 3.69Å
176L95.3Very high92.4Very high56 Ų5660.4 Ų60.429%0.29332%0.317SS..Hα-helixtrans-89.4-40.9-174.9-54.8-178000112.6L172 L272 V275 V279L172-L176 HydrophobicContact CB-CD1 3.99Å; L172-L176 HydrophobicContact CB-CG 4.22Å; L172-L176 WeakPolarHBondContact O-CA 3.33Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 2.59Å; L176-L272 HydrophobicContact CD1-CD1 4.29Å; L176-V275 HydrophobicContact CD2-CG1 3.87Å; L176-V279 HydrophobicContact CD2-CB 3.9Å; L176-V279 HydrophobicContact CD2-CG1 4.33Å; L176-V279 HydrophobicContact CD2-CG2 3.71Å
177L94.5Very high92.1Very high139 Ų13961.4 Ų61.473%0.72832%0.323SS*.Hα-helixtrans-108.4-1.2-169.6-51.9176.2000113.6A173 A179A173-L177 CarbonylContact O-C 3.47Å; A173-L177 WeakPolarHBondContact O-CA 3.28Å; A173-L177 VanDerWaalsContact O-CB 3.29Å; A173-L177 WeakPolarHBondContact O-CB 3.32Å; A173-L177 PolarHBondContact O-N 3.04Å; L177-A179 HydrophobicContact CB-CB 4.26Å; L177-A179 PolarHBondContact O-N 3.46Å
178H92.4Very high92Very high87 Ų8760.8 Ų60.840%0.40332%0.323SS..  trans56.527.7-171.5-152.686.8000112.8A173 F174 Y180 R283 E291A173-H178 PolarHBondContact O-N 2.94Å; F174-H178 VanDerWaalsContact O-CA 3.25Å; F174-H178 WeakPolarHBondContact O-CA 3.3Å; F174-H178 PolarHBondContact O-N 3.3Å; H178-Y180 AromaticContact CD2-CE2 3.99Å; H178-Y180 AromaticContact NE2-CE2 3.77Å; H178-R283 VanDerWaalsContact CA-NH2 3.26Å; H178-R283 PolarHBondContact ND1-NH1 2.73Å; H178-R283 PolarHBondContact ND1-NH2 3.43Å; H178-R283 VanDerWaalsContact ND1-NH2 3.18Å; H178-E291 IonicContact CE1-OE1 3.92Å; H178-E291 PolarHBondContact CE1-OE1 3.13Å; H178-E291 IonicContact CE1-OE2 3.14Å; H178-E291 PolarHBondContact CE1-OE2 2.98Å; H178-E291 IonicContact ND1-OE2 3.99Å; H178-E291 IonicContact NE2-OE1 3.18Å; H178-E291 PolarHBondContact NE2-OE1 3.39Å
179A93.2Very high91.7Very high43 Ų4362.3 Ų62.336%0.35533%0.331SS..  trans-95.2114.8-178.700000110.7A173 F174 L177 I181A173-A179 CarbonylContact C-O 3.33Å; A173-A179 HydrophobicContact CB-CB 4.26Å; A173-A179 PolarHBondContact O-N 3.48Å; F174-A179 VanDerWaalsContact CA-O 3.29Å; F174-A179 WeakPolarHBondContact CA-O 3.28Å; F174-A179 PolarHBondContact N-O 3.48Å; L177-A179 HydrophobicContact CB-CB 4.26Å; L177-A179 PolarHBondContact O-N 3.46Å; A179-I181 PolarHBondContact O-N 3.22Å
180Y89.1Confident91.3Very high75 Ų7561.4 Ų61.429%0.29433%0.329SS..  trans-75.6111.6176.1-70.4-92.2000110.5F174 H178 Y183 E291F174-Y180 HydrophobicContact CD2-CD1 4.29Å; F174-Y180 HydrophobicContact CD2-CE1 4.1Å; F174-Y180 HydrophobicContact CE2-CD1 4.45Å; F174-Y180 AromaticContact CE2-CE1 3.81Å; F174-Y180 HydrophobicContact CE2-CE1 3.81Å; F174-Y180 HydrophobicContact CE2-CE2 4.36Å; F174-Y180 AromaticContact CE2-CZ 3.76Å; H178-Y180 AromaticContact CD2-CE2 3.99Å; H178-Y180 AromaticContact NE2-CE2 3.77Å; Y180-Y183 HydrophobicContact CG-CE1 4.45Å; Y180-E291 WeakPolarHBondContact OH-CG 3.41Å; Y180-E291 PolarHBondContact OH-OE1 3.44Å
181I86.8Confident91.2Very high101 Ų10165.8 Ų65.852%0.51835%0.348SS..SBendtrans-79.4-35.7172.1-59.3-179.9000110.7A170 A173 A179A170-I181 HydrophobicContact CB-CD1 3.8Å; A170-I181 WeakPolarHBondContact O-CD1 3.46Å; A173-I181 HydrophobicContact CB-CD1 3.69Å; A173-I181 HydrophobicContact CB-CG1 3.91Å; A179-I181 PolarHBondContact O-N 3.22Å
182I87.3Confident91.1Very high103 Ų10372 Ų7253%0.52837%0.374SS..SBendtrans-123.8117.4-178.5-56.3176.5000108.3A184 I189I182-A184 HydrophobicContact CG2-CB 4.11Å; I182-A184 PolarHBondContact O-N 3.38Å; I182-I189 HydrophobicContact CB-CD1 4.24Å; I182-I189 HydrophobicContact CG2-CD1 3.81Å; I182-I189 HydrophobicContact CG2-CG1 4.22Å
183Y87Confident90.9Very high200 Ų20074.3 Ų74.378%0.78439%0.389SS*.  trans-88.275.8175.8-69.8-90.8000110.3Y180Y180-Y183 HydrophobicContact CG-CE1 4.45Å
184A87.7Confident90.8Very high34 Ų3478 Ų7828%0.28140%0.404SS..SBendtrans-150.8150.4174.500000110.9I182 A186 I189I182-A184 HydrophobicContact CG2-CB 4.11Å; I182-A184 PolarHBondContact O-N 3.38Å; A184-A186 PolarHBondContact O-N 3.28Å; A184-I189 HydrophobicContact CB-CD1 4.21Å; A184-I189 HydrophobicContact CB-CG1 3.83Å
185P87.2Confident90.8Very high89 Ų8981.2 Ų81.258%0.57843%0.426SS*.  trans-57.5138.1171.7-22.833.3000111.1L187 M188 I189P185-L187 PolarHBondContact O-N 3.48Å; P185-L187 VanDerWaalsContact O-N 3.13Å; P185-M188 HydrophobicContact CB-CB 4.36Å; P185-M188 WeakPolarHBondContact O-CA 3.43Å; P185-M188 WeakPolarHBondContact O-CB 3.36Å; P185-M188 PolarHBondContact O-N 3.49Å; P185-I189 PolarHBondContact O-N 3.38Å
186A86.9Confident90.9Very high10 Ų1087.4 Ų87.48%0.08346%0.455CS..Hα-helixtrans-53.8-36.9-178.300000113.4A184 I189 A190 L293 V297A184-A186 PolarHBondContact O-N 3.28Å; A186-I189 PolarHBondContact O-N 3.21Å; A186-A190 PolarHBondContact O-N 2.88Å; A186-L293 HydrophobicContact CB-CB 3.61Å; A186-V297 HydrophobicContact CB-CG2 4.12Å
187L89.6Confident90.7Very high115 Ų11588 Ų8860%0.60246%0.457SS*.Hα-helixtrans-64.1-41175.7-177.462.4000112.2P185 A190 L191P185-L187 PolarHBondContact O-N 3.48Å; P185-L187 VanDerWaalsContact O-N 3.13Å; L187-A190 PolarHBondContact O-N 3.29Å; L187-L191 HydrophobicContact CG-CD1 4.18Å; L187-L191 WeakPolarHBondContact O-CB 3.28Å; L187-L191 VanDerWaalsContact O-CG 3.29Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.42Å
188M92.1Very high90.6Very high97 Ų9786.3 Ų86.348%0.47845%0.447SS..Hα-helixtrans-63.8-45.4176.3-169.4178.2-174.800110.1P185 A190 L191 F192P185-M188 HydrophobicContact CB-CB 4.36Å; P185-M188 WeakPolarHBondContact O-CA 3.43Å; P185-M188 WeakPolarHBondContact O-CB 3.36Å; P185-M188 PolarHBondContact O-N 3.49Å; M188-A190 VanDerWaalsContact C-N 3.33Å; M188-A190 PolarHBondContact O-N 2.68Å; M188-L191 PolarHBondContact O-N 3.29Å; M188-F192 HydrophobicContact CE-CD2 4.45Å; M188-F192 HydrophobicContact CE-CE2 3.67Å; M188-F192 HydrophobicContact CE-CZ 4.37Å; M188-F192 HydrophobicContact CG-CD2 3.87Å; M188-F192 HydrophobicContact CG-CE2 3.74Å; M188-F192 VanDerWaalsContact O-CD2 3.27Å; M188-F192 WeakPolarHBondContact O-CD2 3.49Å; M188-F192 PolarHBondContact O-N 2.81Å; M188-F192 VanDerWaalsContact O-N 3.13Å
189I89.1Confident90.6Very high37 Ų3788.3 Ų88.319%0.1946%0.457CS..Hα-helixtrans-55.6-49.9175.4-61.5174.5000110.1I182 A184 P185 A186 L191 F192 V193I182-I189 HydrophobicContact CB-CD1 4.24Å; I182-I189 HydrophobicContact CG2-CD1 3.81Å; I182-I189 HydrophobicContact CG2-CG1 4.22Å; A184-I189 HydrophobicContact CB-CD1 4.21Å; A184-I189 HydrophobicContact CB-CG1 3.83Å; P185-I189 PolarHBondContact O-N 3.38Å; A186-I189 PolarHBondContact O-N 3.21Å; I189-L191 VanDerWaalsContact C-N 3.35Å; I189-L191 PolarHBondContact O-N 2.91Å; I189-F192 PolarHBondContact O-N 3.44Å; I189-V193 HydrophobicContact CG2-CG2 3.79Å; I189-V193 WeakPolarHBondContact O-CB 3.48Å; I189-V193 WeakPolarHBondContact O-CG2 3.37Å; I189-V193 PolarHBondContact O-N 3.26Å
190A88.8Confident90.6Very high31 Ų3187.8 Ų87.826%0.25645%0.452SS..Hα-helixtrans-59.9-42.3179.100000112.8A186 L187 M188 F192 L194A186-A190 PolarHBondContact O-N 2.88Å; L187-A190 PolarHBondContact O-N 3.29Å; M188-A190 VanDerWaalsContact C-N 3.33Å; M188-A190 PolarHBondContact O-N 2.68Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 3.31Å; A190-L194 HydrophobicContact CB-CD1 4.23Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.4Å; A190-L194 WeakPolarHBondContact O-CG 3.5Å; A190-L194 PolarHBondContact O-N 3.16Å
191L93.1Very high90.6Very high115 Ų11585.6 Ų85.660%0.60245%0.448SS*.Hα-helixtrans-64.2-31.8179.8-75.5170.7000113.6L187 M188 I189 P195L187-L191 HydrophobicContact CG-CD1 4.18Å; L187-L191 WeakPolarHBondContact O-CB 3.28Å; L187-L191 VanDerWaalsContact O-CG 3.29Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.42Å; M188-L191 PolarHBondContact O-N 3.29Å; I189-L191 VanDerWaalsContact C-N 3.35Å; I189-L191 PolarHBondContact O-N 2.91Å; L191-P195 WeakPolarHBondContact O-CD 3.4Å; L191-P195 WeakPolarHBondContact O-CG 3.45Å
192F93Very high90.8Very high142 Ų14285.6 Ų85.662%0.62345%0.449SS*.Hα-helixtrans-90.3-41.4176.4-75.6-80.7000112.6M188 I189 A190 H196M188-F192 HydrophobicContact CE-CD2 4.45Å; M188-F192 HydrophobicContact CE-CE2 3.67Å; M188-F192 HydrophobicContact CE-CZ 4.37Å; M188-F192 HydrophobicContact CG-CD2 3.87Å; M188-F192 HydrophobicContact CG-CE2 3.74Å; M188-F192 VanDerWaalsContact O-CD2 3.27Å; M188-F192 WeakPolarHBondContact O-CD2 3.49Å; M188-F192 PolarHBondContact O-N 2.81Å; M188-F192 VanDerWaalsContact O-N 3.13Å; I189-F192 PolarHBondContact O-N 3.44Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 3.31Å; F192-H196 WeakPolarHBondContact O-CB 3.31Å; F192-H196 PolarHBondContact O-N 3.33Å
193V91.9Very high91.1Very high55 Ų5583.2 Ų83.233%0.33344%0.439SS..Hα-helixtrans-74.1-43.5-173172.80000111.6I189 H196 M197I189-V193 HydrophobicContact CG2-CG2 3.79Å; I189-V193 WeakPolarHBondContact O-CB 3.48Å; I189-V193 WeakPolarHBondContact O-CG2 3.37Å; I189-V193 PolarHBondContact O-N 3.26Å; V193-H196 PolarHBondContact O-N 3.07Å; V193-M197 HydrophobicContact CG1-CG 3.96Å; V193-M197 HydrophobicContact CG1-SD 3.51Å; V193-M197 VanDerWaalsContact CG1-SD 3.51Å; V193-M197 WeakPolarHBondContact O-CB 3.38Å; V193-M197 VanDerWaalsContact O-CG 3.31Å; V193-M197 WeakPolarHBondContact O-CG 3.47Å; V193-M197 PolarHBondContact O-N 3.28Å
194L92.1Very high91.3Very high100 Ų10077.3 Ų77.352%0.52442%0.421SS..Hα-helixtrans-64.5-49.4-176-65.5173.9000112.5A190 H196 M197 I198A190-L194 HydrophobicContact CB-CD1 4.23Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.4Å; A190-L194 WeakPolarHBondContact O-CG 3.5Å; A190-L194 PolarHBondContact O-N 3.16Å; L194-H196 VanDerWaalsContact C-N 3.3Å; L194-H196 PolarHBondContact O-N 3.16Å; L194-M197 PolarHBondContact O-N 3.25Å; L194-I198 WeakPolarHBondContact O-CB 3.27Å; L194-I198 VanDerWaalsContact O-CG1 3.26Å; L194-I198 WeakPolarHBondContact O-CG1 3.41Å; L194-I198 PolarHBondContact O-N 3.01Å
195P95.6Very high91.4Very high76 Ų7676.6 Ų76.649%0.49441%0.414SS..Hα-helixtrans-61.3-39.1176-24.737000112.5L191 I198 H199L191-P195 WeakPolarHBondContact O-CD 3.4Å; L191-P195 WeakPolarHBondContact O-CG 3.45Å; P195-I198 PolarHBondContact O-N 3.06Å; P195-H199 VanDerWaalsContact O-CB 3.26Å; P195-H199 WeakPolarHBondContact O-CB 3.23Å; P195-H199 PolarHBondContact O-N 3.09Å
196H95.1Very high91.6Very high130 Ų13081.3 Ų81.360%0.60243%0.425SS*.Hα-helixtrans-61.8-48.8176.3176.267.9000112F192 V193 L194 I198 H199 A200F192-H196 WeakPolarHBondContact O-CB 3.31Å; F192-H196 PolarHBondContact O-N 3.33Å; V193-H196 PolarHBondContact O-N 3.07Å; L194-H196 VanDerWaalsContact C-N 3.3Å; L194-H196 PolarHBondContact O-N 3.16Å; H196-I198 PolarHBondContact O-N 3.47Å; H196-H199 PolarHBondContact O-N 3.15Å; H196-A200 VanDerWaalsContact O-CB 3.24Å; H196-A200 WeakPolarHBondContact O-CB 3.12Å; H196-A200 PolarHBondContact O-N 3.48Å
197M91.6Very high91.7Very high70 Ų7085.9 Ų85.935%0.34545%0.448SS..Hα-helixtrans-62.5-43.2178.5-74.8-179.668.700112V193 L194 A200 S201 W301V193-M197 HydrophobicContact CG1-CG 3.96Å; V193-M197 HydrophobicContact CG1-SD 3.51Å; V193-M197 VanDerWaalsContact CG1-SD 3.51Å; V193-M197 WeakPolarHBondContact O-CB 3.38Å; V193-M197 VanDerWaalsContact O-CG 3.31Å; V193-M197 WeakPolarHBondContact O-CG 3.47Å; V193-M197 PolarHBondContact O-N 3.28Å; L194-M197 PolarHBondContact O-N 3.25Å; M197-A200 PolarHBondContact O-N 2.98Å; M197-S201 WeakPolarHBondContact O-CB 3.29Å; M197-S201 PolarHBondContact O-N 3.49Å; M197-W301 HydrophobicContact CE-CH2 3.85Å; M197-W301 HydrophobicContact CE-CZ3 3.88Å; M197-W301 HydrophobicContact SD-CH2 4Å; M197-W301 HydrophobicContact SD-CZ3 3.91Å
198I92.1Very high91.8Very high102 Ų10282.1 Ų82.152%0.52343%0.427SS..Hα-helixtrans-62.4-50.2177.3-68.4166.3000109.7L194 P195 H196 A200 S201 L202L194-I198 WeakPolarHBondContact O-CB 3.27Å; L194-I198 VanDerWaalsContact O-CG1 3.26Å; L194-I198 WeakPolarHBondContact O-CG1 3.41Å; L194-I198 PolarHBondContact O-N 3.01Å; P195-I198 PolarHBondContact O-N 3.06Å; H196-I198 PolarHBondContact O-N 3.47Å; I198-A200 PolarHBondContact O-N 2.8Å; I198-S201 PolarHBondContact O-N 3.37Å; I198-L202 HydrophobicContact CG2-CD1 3.76Å; I198-L202 HydrophobicContact CG2-CG 4.32Å; I198-L202 WeakPolarHBondContact O-CB 3.37Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.5Å; I198-L202 PolarHBondContact O-N 2.69Å
199H94.4Very high91.5Very high129 Ų12977.6 Ų77.660%0.59741%0.405SS*.Hα-helixtrans-61.6-44.7179.8-174.9-86.8000111.8P195 H196 L202 T203P195-H199 VanDerWaalsContact O-CB 3.26Å; P195-H199 WeakPolarHBondContact O-CB 3.23Å; P195-H199 PolarHBondContact O-N 3.09Å; H196-H199 PolarHBondContact O-N 3.15Å; H199-L202 PolarHBondContact O-N 2.69Å; H199-T203 PolarHBondContact CE1-OG1 3.29Å; H199-T203 VanDerWaalsContact O-CB 3.25Å; H199-T203 WeakPolarHBondContact O-CB 3.34Å; H199-T203 PolarHBondContact O-N 2.83Å; H199-T203 PolarHBondContact O-OG1 3.26Å
200A92.5Very high91.3Very high32 Ų3282.1 Ų82.126%0.26442%0.424SS..Hα-helixtrans-63.2-44.5177.400000111.8H196 M197 I198 T203 N204H196-A200 VanDerWaalsContact O-CB 3.24Å; H196-A200 WeakPolarHBondContact O-CB 3.12Å; H196-A200 PolarHBondContact O-N 3.48Å; M197-A200 PolarHBondContact O-N 2.98Å; I198-A200 PolarHBondContact O-N 2.8Å; A200-T203 PolarHBondContact O-N 2.98Å; A200-N204 VanDerWaalsContact O-CB 3.25Å; A200-N204 WeakPolarHBondContact O-CB 3.31Å; A200-N204 VanDerWaalsContact O-CG 3.24Å; A200-N204 PolarHBondContact O-N 3.36Å; A200-N204 PolarHBondContact O-ND2 2.86Å
201S89Confident91.3Very high30 Ų3082.9 Ų82.921%0.2142%0.42CS..Hα-helixtrans-64-43.7177.8-1730000112M197 I198 S205M197-S201 WeakPolarHBondContact O-CB 3.29Å; M197-S201 PolarHBondContact O-N 3.49Å; I198-S201 PolarHBondContact O-N 3.37Å; S201-S205 VanDerWaalsContact O-CB 3.32Å; S201-S205 WeakPolarHBondContact O-CB 3.26Å; S201-S205 PolarHBondContact O-N 3.22Å
202L91.2Very high91.1Very high100 Ų10078.7 Ų78.752%0.52440%0.396SS..Hα-helixtrans-67.4-42.2178.1-70.3175.4000111.6I198 H199 S205 K206I198-L202 HydrophobicContact CG2-CD1 3.76Å; I198-L202 HydrophobicContact CG2-CG 4.32Å; I198-L202 WeakPolarHBondContact O-CB 3.37Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.5Å; I198-L202 PolarHBondContact O-N 2.69Å; H199-L202 PolarHBondContact O-N 2.69Å; L202-S205 PolarHBondContact O-N 2.85Å; L202-K206 WeakPolarHBondContact O-CB 3.24Å; L202-K206 PolarHBondContact O-N 2.84Å
203T93.3Very high90.9Very high53 Ų5372.6 Ų72.633%0.32537%0.37SS..Hα-helixtrans-61.9-47.3176.5-59.10000110.6H199 A200 K206 I207H199-T203 PolarHBondContact CE1-OG1 3.29Å; H199-T203 VanDerWaalsContact O-CB 3.25Å; H199-T203 WeakPolarHBondContact O-CB 3.34Å; H199-T203 PolarHBondContact O-N 2.83Å; H199-T203 PolarHBondContact O-OG1 3.26Å; A200-T203 PolarHBondContact O-N 2.98Å; T203-K206 PolarHBondContact O-N 3.23Å; T203-I207 HydrophobicContact CG2-CD1 3.67Å; T203-I207 HydrophobicContact CG2-CG1 4.46Å; T203-I207 WeakPolarHBondContact O-CB 3.32Å; T203-I207 WeakPolarHBondContact O-CG1 3.49Å; T203-I207 PolarHBondContact O-N 2.89Å
204N91Very high90.7Very high76 Ų7670.4 Ų70.441%0.40636%0.357SS..Hα-helixtrans-60.5-50.1176.2-78.5-23.7000111.2A200 K206 I207 Q208A200-N204 VanDerWaalsContact O-CB 3.25Å; A200-N204 WeakPolarHBondContact O-CB 3.31Å; A200-N204 VanDerWaalsContact O-CG 3.24Å; A200-N204 PolarHBondContact O-N 3.36Å; A200-N204 PolarHBondContact O-ND2 2.86Å; N204-K206 VanDerWaalsContact C-N 3.27Å; N204-K206 PolarHBondContact O-N 3.18Å; N204-I207 PolarHBondContact O-N 3.15Å; N204-Q208 WeakPolarHBondContact O-CG 3.36Å; N204-Q208 PolarHBondContact O-N 3.41Å
205S90Very high90.4Very high20 Ų2067.4 Ų67.414%0.1434%0.34CS..Hα-helixtrans-56.7-41.2176.9-174.70000112S201 L202 G209 D433 P435S201-S205 VanDerWaalsContact O-CB 3.32Å; S201-S205 WeakPolarHBondContact O-CB 3.26Å; S201-S205 PolarHBondContact O-N 3.22Å; L202-S205 PolarHBondContact O-N 2.85Å; S205-G209 WeakPolarHBondContact O-CA 3.46Å; S205-G209 PolarHBondContact O-N 2.94Å; S205-D433 WeakPolarHBondContact CB-OD2 3.48Å; S205-D433 PolarHBondContact OG-OD2 3.07Å; S205-P435 WeakPolarHBondContact OG-CG 3.29Å
206K90.6Very high90.1Very high187 Ų18764.2 Ų64.281%0.81332%0.318SS*.Hα-helixtrans-67.2-41.5178.7-173.162.2174.2-1780113.3L202 T203 N204L202-K206 WeakPolarHBondContact O-CB 3.24Å; L202-K206 PolarHBondContact O-N 2.84Å; T203-K206 PolarHBondContact O-N 3.23Å; N204-K206 VanDerWaalsContact C-N 3.27Å; N204-K206 PolarHBondContact O-N 3.18Å
207I89.9Confident89.8Confident107 Ų10758.9 Ų58.955%0.54930%0.295SS..Hα-helixtrans-80.5-43.6-176.2-67.1173.9000111.1L45 T203 N204L45-I207 HydrophobicContact CD2-CG2 3.99Å; T203-I207 HydrophobicContact CG2-CD1 3.67Å; T203-I207 HydrophobicContact CG2-CG1 4.46Å; T203-I207 WeakPolarHBondContact O-CB 3.32Å; T203-I207 WeakPolarHBondContact O-CG1 3.49Å; T203-I207 PolarHBondContact O-N 2.89Å; N204-I207 PolarHBondContact O-N 3.15Å
208Q90.6Very high89.8Confident35 Ų3557.4 Ų57.416%0.16429%0.287CS..Hα-helixtrans-115.2-6.3-167.194.1-167.2-15.700114.2L41 L45 N204 K210 Y211 R212L41-Q208 HydrophobicContact CD1-CB 3.75Å; L41-Q208 HydrophobicContact CD1-CG 4.31Å; L45-Q208 HydrophobicContact CD2-CB 3.96Å; N204-Q208 WeakPolarHBondContact O-CG 3.36Å; N204-Q208 PolarHBondContact O-N 3.41Å; Q208-K210 PolarHBondContact O-N 3.19Å; Q208-Y211 CarbonylContact O-C 3.56Å; Q208-Y211 WeakPolarHBondContact O-CA 3.38Å; Q208-Y211 PolarHBondContact O-N 3.3Å; Q208-R212 HydrophobicContact CG-CB 4.28Å; Q208-R212 PolarHBondContact O-N 3.32Å
209G86.5Confident89.9Confident3 Ų352.6 Ų52.63%0.03126%0.262CS..THydrogen-bonded Turntrans-58-24-170.600000115.5S205 Y211 R212 H213 D433S205-G209 WeakPolarHBondContact O-CA 3.46Å; S205-G209 PolarHBondContact O-N 2.94Å; G209-Y211 VanDerWaalsContact C-N 3.3Å; G209-R212 WeakPolarHBondContact CA-O 3.44Å; G209-H213 PolarHBondContact O-CD2 2.76Å; G209-D433 WeakPolarHBondContact O-CB 3.33Å
210K86Confident89.8Confident132 Ų13246.8 Ų46.857%0.57424%0.236SC*.THydrogen-bonded Turntrans-69.7-27.2172.5-63.5-171.4178-170.60113.3Q208Q208-K210 PolarHBondContact O-N 3.19Å
211Y86.8Confident89.8Confident46 Ų4647.4 Ų47.418%0.1823%0.233CC..THydrogen-bonded Turntrans-113.1-18.4-172.7-52.5-72.8000113.7P36 T40 L45 R102 Q208 G209P36-Y211 WeakPolarHBondContact CB-O 3.47Å; T40-Y211 HydrophobicContact CG2-CD1 3.85Å; T40-Y211 HydrophobicContact CG2-CG 4.48Å; L45-Y211 HydrophobicContact CB-CD2 3.74Å; L45-Y211 HydrophobicContact CB-CE2 3.97Å; L45-Y211 HydrophobicContact CB-CG 4.38Å; L45-Y211 HydrophobicContact CD1-CE2 4.33Å; L45-Y211 HydrophobicContact CD2-CD2 4.45Å; R102-Y211 PolarHBondContact NH1-OH 3.39Å; Q208-Y211 CarbonylContact O-C 3.56Å; Q208-Y211 WeakPolarHBondContact O-CA 3.38Å; Q208-Y211 PolarHBondContact O-N 3.3Å; G209-Y211 VanDerWaalsContact C-N 3.3Å
212R89Confident90.1Very high28 Ų2846.1 Ų46.111%0.10622%0.224CC..SBendtrans-155.7120.9175.3-168.4165.7-61.5176.1-3110.8E38 L41 Q208 G209 S217E38-R212 PolarHBondContact O-NH2 3.22Å; L41-R212 HydrophobicContact CB-CB 4.33Å; L41-R212 VanDerWaalsContact CB-NH2 3.29Å; L41-R212 HydrophobicContact CD1-CB 4.4Å; L41-R212 VanDerWaalsContact CD2-NH1 3.29Å; Q208-R212 HydrophobicContact CG-CB 4.28Å; Q208-R212 PolarHBondContact O-N 3.32Å; G209-R212 WeakPolarHBondContact CA-O 3.44Å; R212-S217 WeakPolarHBondContact CD-OG 3.03Å
213H89.4Confident90.2Very high14 Ų1441.4 Ų41.47%0.06520%0.199CC..  trans-71.3153.2176.3-69-179.2000111.5G209 W216 P431 D433G209-H213 PolarHBondContact O-CD2 2.76Å; H213-W216 HydrophobicContact CB-CG 4.45Å; H213-P431 PolarHBondContact NE2-O 2.92Å; H213-D433 WeakPolarHBondContact CA-OD1 3.21Å; H213-D433 WeakPolarHBondContact CB-OD1 3.39Å; H213-D433 IonicContact CG-OD1 3.22Å
214S87.3Confident90.2Very high8 Ų839.5 Ų39.56%0.05619%0.187CC..THydrogen-bonded Turntrans-60.1146.2-179-67.20000111.7W216 D433 S438S214-W216 PolarHBondContact O-N 3.04Å; S214-D433 WeakPolarHBondContact CB-OD2 3.46Å; S214-D433 VanDerWaalsContact N-CG 3.32Å; S214-D433 PolarHBondContact N-OD1 3.33Å; S214-D433 PolarHBondContact N-OD2 3.02Å; S214-D433 PolarHBondContact OG-OD2 3.38Å; S214-S438 WeakPolarHBondContact O-CB 3.12Å
215F87.1Confident90.4Very high38 Ų3835.9 Ų35.917%0.16717%0.167CC..THydrogen-bonded Turntrans67.2-8.1177.9-51.3-72.1000117.2E218 L439 I442F215-E218 WeakPolarHBondContact CA-OE2 3.07Å; F215-E218 VanDerWaalsContact O-OE2 3.12Å; F215-L439 HydrophobicContact CD2-CB 3.91Å; F215-L439 HydrophobicContact CD2-CD1 4.06Å; F215-L439 HydrophobicContact CE2-CB 3.86Å; F215-L439 HydrophobicContact CE2-CD1 4.08Å; F215-L439 HydrophobicContact CE2-CG 4.42Å; F215-L439 HydrophobicContact CG-CD1 4.28Å; F215-L439 HydrophobicContact CZ-CD1 4.3Å; F215-I442 HydrophobicContact CB-CG1 3.71Å
216W88.9Confident90.7Very high9 Ų939.7 Ų39.73%0.03418%0.179CC..Hα-helixtrans-72.3-35.3177.2-8388.1000112.7L29 R31 T35 H213 S214 E218 I219 Y220 I442 L445L29-W216 HydrophobicContact CD1-CH2 3.77Å; L29-W216 HydrophobicContact CD1-CZ3 3.51Å; R31-W216 HydrophobicContact CB-CH2 4.49Å; R31-W216 HydrophobicContact CG-CH2 3.97Å; R31-W216 HydrophobicContact CG-CZ2 4.35Å; T35-W216 HydrophobicContact CG2-CZ2 4.45Å; H213-W216 HydrophobicContact CB-CG 4.45Å; S214-W216 PolarHBondContact O-N 3.04Å; W216-E218 PolarHBondContact O-N 2.69Å; W216-I219 PolarHBondContact O-N 3.45Å; W216-Y220 HydrophobicContact CB-CD2 4.41Å; W216-Y220 HydrophobicContact CB-CE2 4.14Å; W216-Y220 HydrophobicContact CE3-CE2 4.03Å; W216-Y220 WeakPolarHBondContact O-CD2 3.34Å; W216-Y220 PolarHBondContact O-N 3.31Å; W216-Y220 VanDerWaalsContact O-N 3.13Å; W216-I442 HydrophobicContact CD2-CD1 3.9Å; W216-I442 HydrophobicContact CG-CD1 4.06Å; W216-I442 HydrophobicContact CZ2-CD1 4.18Å; W216-L445 HydrophobicContact CH2-CD2 4.27Å
217S89Confident90.8Very high18 Ų1832.9 Ų32.913%0.12615%0.148CC..Hα-helixtrans-54-37.7176.5-62.10000111.5R212 I219 Y220 E221R212-S217 WeakPolarHBondContact CD-OG 3.03Å; S217-I219 VanDerWaalsContact C-N 3.32Å; S217-I219 PolarHBondContact O-N 3.45Å; S217-Y220 PolarHBondContact O-N 3.26Å; S217-E221 VanDerWaalsContact O-CB 3.29Å; S217-E221 WeakPolarHBondContact O-CB 3.37Å; S217-E221 VanDerWaalsContact O-CG 3.3Å; S217-E221 WeakPolarHBondContact O-CG 3.09Å; S217-E221 PolarHBondContact O-N 2.78Å
218E91.7Very high91Very high39 Ų3928.2 Ų28.218%0.18212%0.124CC..Hα-helixtrans-66.1-35.4-178.1-67.182.7159.400111.3F215 W216 T222 V308F215-E218 WeakPolarHBondContact CA-OE2 3.07Å; F215-E218 VanDerWaalsContact O-OE2 3.12Å; W216-E218 PolarHBondContact O-N 2.69Å; E218-T222 WeakPolarHBondContact O-CB 3.38Å; E218-T222 PolarHBondContact O-N 2.67Å; E218-T222 PolarHBondContact O-OG1 3.2Å; E218-V308 HydrophobicContact CB-CG1 4.19Å; E218-V308 HydrophobicContact CB-CG2 4.36Å; E218-V308 WeakPolarHBondContact O-CG1 3.46Å
219I92.8Very high91.1Very high0 Ų027 Ų270%012%0.12CC..Hα-helixtrans-71.1-50.9173.7-60.3-173.9000110.4F25 W216 S217 E221 T222 V223 V315 I442 L445F25-I219 HydrophobicContact CE1-CG2 4.48Å; W216-I219 PolarHBondContact O-N 3.45Å; S217-I219 VanDerWaalsContact C-N 3.32Å; S217-I219 PolarHBondContact O-N 3.45Å; I219-E221 VanDerWaalsContact C-N 3.32Å; I219-E221 PolarHBondContact O-N 2.93Å; I219-T222 PolarHBondContact O-N 3.02Å; I219-V223 HydrophobicContact CG2-CG2 4.47Å; I219-V223 WeakPolarHBondContact O-CG2 3.34Å; I219-V223 PolarHBondContact O-N 3.2Å; I219-V315 HydrophobicContact CG2-CG2 4.12Å; I219-I442 HydrophobicContact CD1-CD1 3.58Å; I219-I442 HydrophobicContact CD1-CG1 4.32Å; I219-I442 HydrophobicContact CD1-CG2 4.16Å; I219-L445 HydrophobicContact CD1-CD2 3.52Å
220Y92.1Very high91.5Very high8 Ų830.2 Ų30.23%0.03114%0.14CC..Hα-helixtrans-54.8-49.5178.3-72.2-70000111.2F25 E38 W216 S217 V223 L224F25-Y220 HydrophobicContact CB-CD1 4.47Å; F25-Y220 HydrophobicContact CB-CE1 3.6Å; F25-Y220 AromaticContact CD1-CD1 3.44Å; F25-Y220 HydrophobicContact CD1-CD1 3.44Å; F25-Y220 VanDerWaalsContact CD1-CD1 3.44Å; F25-Y220 AromaticContact CD1-CE1 3.42Å; F25-Y220 HydrophobicContact CD1-CE1 3.42Å; F25-Y220 VanDerWaalsContact CD1-CE1 3.42Å; F25-Y220 HydrophobicContact CD1-CG 4.36Å; F25-Y220 AromaticContact CD2-CD1 3.82Å; F25-Y220 HydrophobicContact CD2-CD1 3.82Å; F25-Y220 AromaticContact CD2-CE1 3.59Å; F25-Y220 HydrophobicContact CD2-CE1 3.59Å; F25-Y220 AromaticContact CE1-CD1 3.39Å; F25-Y220 HydrophobicContact CE1-CD1 3.39Å; F25-Y220 AromaticContact CE1-CE1 3.9Å; F25-Y220 HydrophobicContact CE1-CE1 3.9Å; F25-Y220 HydrophobicContact CE1-CG 4.17Å; F25-Y220 AromaticContact CE2-CD1 3.78Å; F25-Y220 HydrophobicContact CE2-CD1 3.78Å; F25-Y220 HydrophobicContact CE2-CE1 4.05Å; F25-Y220 AromaticContact CG-CD1 3.67Å; F25-Y220 HydrophobicContact CG-CD1 3.67Å; F25-Y220 AromaticContact CG-CE1 3.26Å; F25-Y220 HydrophobicContact CG-CE1 3.26Å; F25-Y220 AromaticContact CZ-CD1 3.57Å; F25-Y220 HydrophobicContact CZ-CD1 3.57Å; F25-Y220 HydrophobicContact CZ-CE1 4.19Å; E38-Y220 HydrophobicContact CB-CD1 3.99Å; E38-Y220 HydrophobicContact CB-CE1 3.73Å; E38-Y220 HydrophobicContact CB-CE2 4.49Å; E38-Y220 HydrophobicContact CB-CG 4.5Å; E38-Y220 HydrophobicContact CG-CD1 4.03Å; E38-Y220 HydrophobicContact CG-CE1 4.29Å; E38-Y220 HydrophobicContact CG-CG 4.23Å; W216-Y220 HydrophobicContact CB-CD2 4.41Å; W216-Y220 HydrophobicContact CB-CE2 4.14Å; W216-Y220 HydrophobicContact CE3-CE2 4.03Å; W216-Y220 WeakPolarHBondContact O-CD2 3.34Å; W216-Y220 PolarHBondContact O-N 3.31Å; W216-Y220 VanDerWaalsContact O-N 3.13Å; S217-Y220 PolarHBondContact O-N 3.26Å; Y220-V223 PolarHBondContact O-N 3.09Å; Y220-L224 WeakPolarHBondContact O-CG 3.45Å; Y220-L224 PolarHBondContact O-N 2.96Å; Y220-L224 VanDerWaalsContact O-N 3.14Å
221E93.1Very high91.8Very high45 Ų4525.4 Ų25.421%0.2112%0.123CC..Hα-helixtrans-66.1-39.7178.9-73.3178.8-156.700112.3R164 S217 I219 V223 L224 A225R164-E221 HydrophobicContact CG-CB 4.3Å; R164-E221 IonicContact CZ-OE2 3.46Å; R164-E221 VanDerWaalsContact CZ-OE2 3.27Å; R164-E221 IonicContact NE-OE2 3.59Å; R164-E221 PolarHBondContact NE-OE2 3.27Å; R164-E221 VanDerWaalsContact NE-OE2 3.08Å; R164-E221 IonicContact NH2-OE2 2.82Å; R164-E221 PolarHBondContact NH2-OE2 2.88Å; S217-E221 VanDerWaalsContact O-CB 3.29Å; S217-E221 WeakPolarHBondContact O-CB 3.37Å; S217-E221 VanDerWaalsContact O-CG 3.3Å; S217-E221 WeakPolarHBondContact O-CG 3.09Å; S217-E221 PolarHBondContact O-N 2.78Å; I219-E221 VanDerWaalsContact C-N 3.32Å; I219-E221 PolarHBondContact O-N 2.93Å; E221-V223 PolarHBondContact O-N 3.3Å; E221-L224 PolarHBondContact O-N 2.68Å; E221-A225 WeakPolarHBondContact O-CA 3.44Å; E221-A225 WeakPolarHBondContact O-CB 3.37Å; E221-A225 PolarHBondContact O-N 3.45Å
222T95.4Very high92.1Very high3 Ų323.2 Ų23.22%0.01811%0.114CC..Hα-helixtrans-64.5-40.8179.1-64.20000112L168 E218 I219 L224 V308 L309 A312L168-T222 HydrophobicContact CD1-CG2 3.83Å; E218-T222 WeakPolarHBondContact O-CB 3.38Å; E218-T222 PolarHBondContact O-N 2.67Å; E218-T222 PolarHBondContact O-OG1 3.2Å; I219-T222 PolarHBondContact O-N 3.02Å; T222-L224 VanDerWaalsContact C-N 3.31Å; T222-L224 PolarHBondContact O-N 3.22Å; T222-V308 HydrophobicContact CG2-CG1 4.26Å; T222-V308 WeakPolarHBondContact OG1-CG1 3.27Å; T222-L309 HydrophobicContact CG2-CD2 3.9Å; T222-A312 HydrophobicContact CG2-CB 3.89Å
223V93.8Very high92.4Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-61.2-42.3174.1170.90000110.3F25 L114 I118 I219 Y220 E221 Y227 Y266 A312 V315F25-V223 HydrophobicContact CE1-CB 3.93Å; F25-V223 HydrophobicContact CE1-CG1 4.1Å; F25-V223 HydrophobicContact CE1-CG2 3.79Å; F25-V223 HydrophobicContact CZ-CB 3.85Å; F25-V223 HydrophobicContact CZ-CG1 3.66Å; F25-V223 HydrophobicContact CZ-CG2 4.2Å; L114-V223 HydrophobicContact CD1-CG1 3.95Å; I118-V223 HydrophobicContact CD1-CG1 4.23Å; I118-V223 HydrophobicContact CG1-CG1 4.48Å; I219-V223 HydrophobicContact CG2-CG2 4.47Å; I219-V223 WeakPolarHBondContact O-CG2 3.34Å; I219-V223 PolarHBondContact O-N 3.2Å; Y220-V223 PolarHBondContact O-N 3.09Å; E221-V223 PolarHBondContact O-N 3.3Å; V223-Y227 WeakPolarHBondContact O-CD2 3.5Å; V223-Y266 WeakPolarHBondContact CA-OH 3.31Å; V223-Y266 WeakPolarHBondContact CG1-OH 3.22Å; V223-Y266 PolarHBondContact O-OH 3.15Å; V223-A312 HydrophobicContact CG2-CB 3.56Å; V223-V315 HydrophobicContact CG2-CB 4.32Å; V223-V315 HydrophobicContact CG2-CG1 4.46Å
224L93.9Very high92.5Very high13 Ų1328.3 Ų28.37%0.06815%0.146CC..Hα-helixtrans-81.4-28.3-177.3-63.3177.8000114I118 R121 Y220 E221 T222 W226 Y227 I228I118-L224 HydrophobicContact CG1-CD2 4.1Å; R121-L224 HydrophobicContact CB-CD1 4.14Å; R121-L224 HydrophobicContact CB-CD2 3.75Å; R121-L224 HydrophobicContact CG-CD1 3.93Å; R121-L224 HydrophobicContact CG-CD2 3.89Å; Y220-L224 WeakPolarHBondContact O-CG 3.45Å; Y220-L224 PolarHBondContact O-N 2.96Å; Y220-L224 VanDerWaalsContact O-N 3.14Å; E221-L224 PolarHBondContact O-N 2.68Å; T222-L224 VanDerWaalsContact C-N 3.31Å; T222-L224 PolarHBondContact O-N 3.22Å; L224-W226 PolarHBondContact O-N 3.36Å; L224-Y227 PolarHBondContact O-N 3.17Å; L224-I228 HydrophobicContact CB-CD1 4.32Å; L224-I228 HydrophobicContact CB-CG2 4.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.25Å; L224-I228 PolarHBondContact O-N 3.49Å
225A95.5Very high92.8Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-53.9-50.6-163.300000114R164 L165 E221 Y227 A229R164-A225 HydrophobicContact CB-CB 3.83Å; R164-A225 HydrophobicContact CG-CB 3.78Å; L165-A225 HydrophobicContact CD2-CB 4.22Å; L165-A225 HydrophobicContact CG-CB 4.14Å; E221-A225 WeakPolarHBondContact O-CA 3.44Å; E221-A225 WeakPolarHBondContact O-CB 3.37Å; E221-A225 PolarHBondContact O-N 3.45Å; A225-Y227 VanDerWaalsContact C-N 3.26Å; A225-Y227 PolarHBondContact O-N 2.81Å; A225-A229 WeakPolarHBondContact O-CB 3.36Å; A225-A229 PolarHBondContact O-N 3.08Å; A225-A229 VanDerWaalsContact O-N 3.11Å
226W94.3Very high93.1Very high100 Ų10029 Ų2938%0.37915%0.151SC..Hα-helixtrans-61.9-36180-172.9-86.8000112.6L165 L224 P230 P265L165-W226 HydrophobicContact CD1-CE3 4.4Å; L165-W226 HydrophobicContact CD2-CB 4.41Å; L165-W226 HydrophobicContact CD2-CE3 3.87Å; L224-W226 PolarHBondContact O-N 3.36Å; W226-P230 WeakPolarHBondContact O-CD 3.46Å; W226-P265 HydrophobicContact CB-CB 3.85Å; W226-P265 HydrophobicContact CB-CG 4.3Å; W226-P265 HydrophobicContact CD2-CB 3.52Å; W226-P265 HydrophobicContact CD2-CG 4.04Å; W226-P265 HydrophobicContact CE3-CB 4.08Å; W226-P265 HydrophobicContact CG-CB 3.37Å; W226-P265 HydrophobicContact CG-CG 3.62Å
227Y93.4Very high93.4Very high45 Ų4534.6 Ų34.618%0.17618%0.18CC..Hα-helixtrans-83.3-34.6-173.5-70-71.1000113.3I118 V223 L224 A225 P231 I262 P265 Y266I118-Y227 HydrophobicContact CD1-CD2 3.91Å; I118-Y227 HydrophobicContact CD1-CE2 3.96Å; I118-Y227 HydrophobicContact CG2-CD1 4.04Å; I118-Y227 HydrophobicContact CG2-CD2 3.89Å; I118-Y227 HydrophobicContact CG2-CG 3.55Å; V223-Y227 WeakPolarHBondContact O-CD2 3.5Å; L224-Y227 PolarHBondContact O-N 3.17Å; A225-Y227 VanDerWaalsContact C-N 3.26Å; A225-Y227 PolarHBondContact O-N 2.81Å; Y227-P231 WeakPolarHBondContact O-CD 3.46Å; Y227-P231 WeakPolarHBondContact O-CG 3.3Å; Y227-I262 HydrophobicContact CE2-CG2 4.23Å; Y227-I262 VanDerWaalsContact OH-C 3.26Å; Y227-I262 WeakPolarHBondContact OH-CA 3.37Å; Y227-I262 PolarHBondContact OH-O 3.02Å; Y227-P265 HydrophobicContact CE2-CG 4.34Å; Y227-P265 VanDerWaalsContact OH-CD 3.32Å; Y227-P265 WeakPolarHBondContact OH-CD 3.32Å; Y227-P265 WeakPolarHBondContact OH-CG 3.41Å; Y227-Y266 HydrophobicContact CE2-CE1 4.26Å; Y227-Y266 AromaticContact CE2-CZ 3.91Å; Y227-Y266 VanDerWaalsContact CE2-OH 3.31Å; Y227-Y266 WeakPolarHBondContact CE2-OH 3.44Å
228I93.6Very high93.6Very high8 Ų836.3 Ų36.34%0.04119%0.187CC..Hα-helixtrans-85.6-25.7-179.970179.8000112.7I122 A125 L224 P231 T232I122-I228 HydrophobicContact CG1-CG2 4.42Å; A125-I228 HydrophobicContact CB-CB 4Å; A125-I228 HydrophobicContact CB-CG2 4.03Å; L224-I228 HydrophobicContact CB-CD1 4.32Å; L224-I228 HydrophobicContact CB-CG2 4.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.25Å; L224-I228 PolarHBondContact O-N 3.49Å; I228-P231 WeakPolarHBondContact O-CD 3.49Å; I228-T232 WeakPolarHBondContact O-CB 3.21Å; I228-T232 WeakPolarHBondContact O-CG2 3.35Å; I228-T232 PolarHBondContact O-N 2.8Å; I228-T232 PolarHBondContact O-OG1 3.49Å
229A94.5Very high93.5Very high9 Ų935.1 Ų35.17%0.07418%0.183CC..Hα-helixtrans-60.2-48.3-176.600000113.7I162 L165 A225 T232 L233I162-A229 HydrophobicContact CG1-CB 3.81Å; L165-A229 HydrophobicContact CD1-CB 3.99Å; A225-A229 WeakPolarHBondContact O-CB 3.36Å; A225-A229 PolarHBondContact O-N 3.08Å; A225-A229 VanDerWaalsContact O-N 3.11Å; A229-T232 PolarHBondContact O-OG1 3.3Å; A229-L233 VanDerWaalsContact O-CB 3.31Å; A229-L233 WeakPolarHBondContact O-CB 3.39Å; A229-L233 PolarHBondContact O-N 3.07Å
230P93.2Very high93.2Very high71 Ų7142 Ų4246%0.46122%0.215SC..Hα-helixtrans-65.9-48.6178.3-15.626.7000113.7W226 T232 L233 V234W226-P230 WeakPolarHBondContact O-CD 3.46Å; P230-T232 VanDerWaalsContact C-N 3.33Å; P230-T232 PolarHBondContact O-N 3.23Å; P230-L233 PolarHBondContact O-N 2.71Å; P230-V234 WeakPolarHBondContact O-CB 3.4Å; P230-V234 VanDerWaalsContact O-CG2 3.3Å; P230-V234 WeakPolarHBondContact O-CG2 3.31Å; P230-V234 PolarHBondContact O-N 3.22Å
231P92.3Very high92.6Very high32 Ų3247.8 Ų47.821%0.20824%0.24CC..Hα-helixtrans-60.3-38.6178.1-26.636.3000113.8I122 R126 Y227 I228 A235I122-P231 HydrophobicContact CG2-CB 4.13Å; I122-P231 HydrophobicContact CG2-CG 3.82Å; R126-P231 HydrophobicContact CB-CB 4.41Å; Y227-P231 WeakPolarHBondContact O-CD 3.46Å; Y227-P231 WeakPolarHBondContact O-CG 3.3Å; I228-P231 WeakPolarHBondContact O-CD 3.49Å; P231-A235 VanDerWaalsContact O-CB 3.32Å; P231-A235 WeakPolarHBondContact O-CB 3.3Å; P231-A235 PolarHBondContact O-N 3.07Å
232T94.3Very high91.5Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-70.4-41.5177.9530000111.8A125 V129 I228 A229 P230 A235 L236A125-T232 HydrophobicContact CB-CG2 3.64Å; V129-T232 HydrophobicContact CG2-CG2 3.96Å; I228-T232 WeakPolarHBondContact O-CB 3.21Å; I228-T232 WeakPolarHBondContact O-CG2 3.35Å; I228-T232 PolarHBondContact O-N 2.8Å; I228-T232 PolarHBondContact O-OG1 3.49Å; A229-T232 PolarHBondContact O-OG1 3.3Å; P230-T232 VanDerWaalsContact C-N 3.33Å; P230-T232 PolarHBondContact O-N 3.23Å; T232-A235 PolarHBondContact O-N 3.43Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 PolarHBondContact O-N 2.85Å
233L93.9Very high90Very high82 Ų8257 Ų5743%0.42929%0.292SS..Hα-helixtrans-62.5-43.8174.5-176.962.1000111.9A229 P230 L236 I237A229-L233 VanDerWaalsContact O-CB 3.31Å; A229-L233 WeakPolarHBondContact O-CB 3.39Å; A229-L233 PolarHBondContact O-N 3.07Å; P230-L233 PolarHBondContact O-N 2.71Å; L233-L236 WeakPolarHBondContact O-CB 3.23Å; L233-L236 PolarHBondContact O-N 3.39Å; L233-I237 HydrophobicContact CD1-CD1 4.05Å; L233-I237 HydrophobicContact CG-CD1 4.15Å; L233-I237 WeakPolarHBondContact O-CG1 3.29Å; L233-I237 PolarHBondContact O-N 3.1Å; L233-I237 VanDerWaalsContact O-N 3.09Å
234V93.1Very high88.2Confident66 Ų6660.2 Ų60.240%0.431%0.306SS..Hα-helixtrans-61.3-45.9175.2171.30000110.6P230 L236 I237 N238 K241P230-V234 WeakPolarHBondContact O-CB 3.4Å; P230-V234 VanDerWaalsContact O-CG2 3.3Å; P230-V234 WeakPolarHBondContact O-CG2 3.31Å; P230-V234 PolarHBondContact O-N 3.22Å; V234-L236 VanDerWaalsContact C-N 3.28Å; V234-L236 PolarHBondContact O-N 3.46Å; V234-I237 PolarHBondContact O-N 3.25Å; V234-N238 CarbonylContact O-C 3.52Å; V234-N238 WeakPolarHBondContact O-CA 3.27Å; V234-N238 PolarHBondContact O-N 3.46Å; V234-N238 VanDerWaalsContact O-O 3.13Å; V234-K241 HydrophobicContact CG1-CB 4.19Å
235A93.6Very high86.4Confident1 Ų165.9 Ų65.91%0.00834%0.337CS..Hα-helixtrans-63.4-34.5177.800000112.6R126 V129 Q130 P231 T232 P239R126-A235 HydrophobicContact CG-CB 4.18Å; V129-A235 HydrophobicContact CB-CB 4.02Å; V129-A235 HydrophobicContact CG1-CB 3.82Å; Q130-A235 HydrophobicContact CG-CB 4.07Å; P231-A235 VanDerWaalsContact O-CB 3.32Å; P231-A235 WeakPolarHBondContact O-CB 3.3Å; P231-A235 PolarHBondContact O-N 3.07Å; T232-A235 PolarHBondContact O-N 3.43Å; A235-P239 VanDerWaalsContact O-CA 3.28Å; A235-P239 WeakPolarHBondContact O-CA 3.19Å; A235-P239 WeakPolarHBondContact O-CB 3.4Å
236L93.3Very high84.2Confident60 Ų6071 Ų7131%0.31437%0.368SS..Hα-helixtrans-65.5-43.8177.1-167.472.6000111.5V129 F132 R133 T232 L233 V234V129-L236 HydrophobicContact CG1-CB 3.96Å; V129-L236 HydrophobicContact CG1-CD1 4.08Å; F132-L236 HydrophobicContact CD1-CD1 4.3Å; F132-L236 HydrophobicContact CE1-CD1 4.49Å; R133-L236 VanDerWaalsContact CD-O 3.3Å; R133-L236 WeakPolarHBondContact CD-O 3.24Å; R133-L236 HydrophobicContact CG-CD1 4.23Å; R133-L236 PolarHBondContact NE-O 2.94Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 PolarHBondContact O-N 2.85Å; L233-L236 WeakPolarHBondContact O-CB 3.23Å; L233-L236 PolarHBondContact O-N 3.39Å; V234-L236 VanDerWaalsContact C-N 3.28Å; V234-L236 PolarHBondContact O-N 3.46Å
237I94Very high82Confident127 Ų12770 Ų7065%0.65137%0.373SS*.Hα-helixtrans-80.6-45.9-178.1-62.5169.9000111.3L233 V234L233-I237 HydrophobicContact CD1-CD1 4.05Å; L233-I237 HydrophobicContact CG-CD1 4.15Å; L233-I237 WeakPolarHBondContact O-CG1 3.29Å; L233-I237 PolarHBondContact O-N 3.1Å; L233-I237 VanDerWaalsContact O-N 3.09Å; V234-I237 PolarHBondContact O-N 3.25Å
238N92.8Very high79.5Confident53 Ų5372.2 Ų72.228%0.28340%0.4SS..  trans-140.288.7-177.4-166.8-35.7000110.9V234 H240 K241V234-N238 CarbonylContact O-C 3.52Å; V234-N238 WeakPolarHBondContact O-CA 3.27Å; V234-N238 PolarHBondContact O-N 3.46Å; V234-N238 VanDerWaalsContact O-O 3.13Å; N238-H240 PolarHBondContact O-N 2.96Å; N238-H240 VanDerWaalsContact O-N 3.16Å; N238-H240 PolarHBondContact OD1-N 2.99Å; N238-K241 HydrophobicContact CB-CB 4.1Å; N238-K241 HydrophobicContact CB-CD 4.08Å; N238-K241 HydrophobicContact CB-CG 4.17Å; N238-K241 VanDerWaalsContact CG-CG 3.48Å; N238-K241 VanDerWaalsContact ND2-CD 3.32Å; N238-K241 WeakPolarHBondContact ND2-CD 3.44Å; N238-K241 VanDerWaalsContact ND2-CE 3.28Å; N238-K241 WeakPolarHBondContact ND2-CE 3.28Å; N238-K241 PolarHBondContact O-N 3.11Å; N238-K241 PolarHBondContact OD1-N 3.23Å
239P90.1Very high77Confident14 Ų1480.4 Ų80.49%0.09144%0.436CS..THydrogen-bonded Turntrans-63.2-25.6-172.223.8-34.5000113.7Q130 R133 L134 A235Q130-P239 HydrophobicContact CG-CB 4.23Å; Q130-P239 WeakPolarHBondContact CG-O 3.28Å; Q130-P239 PolarHBondContact NE2-O 3.16Å; R133-P239 HydrophobicContact CB-CB 4.13Å; R133-P239 HydrophobicContact CB-CG 4.12Å; L134-P239 HydrophobicContact CD1-CB 4.16Å; L134-P239 HydrophobicContact CD2-CB 3.97Å; L134-P239 HydrophobicContact CD2-CG 3.55Å; L134-P239 HydrophobicContact CG-CB 3.86Å; L134-P239 HydrophobicContact CG-CG 3.99Å; A235-P239 VanDerWaalsContact O-CA 3.28Å; A235-P239 WeakPolarHBondContact O-CA 3.19Å; A235-P239 WeakPolarHBondContact O-CB 3.4Å
240H87.1Confident74.9Confident144 Ų14482.2 Ų82.267%0.66746%0.455SS*.THydrogen-bonded Turntrans-82.4-14178.3-59.1-68.9000113.2L134 N238L134-H240 WeakPolarHBondContact CD2-NE2 3.28Å; N238-H240 PolarHBondContact O-N 2.96Å; N238-H240 VanDerWaalsContact O-N 3.16Å; N238-H240 PolarHBondContact OD1-N 2.99Å
241K80.1Confident73Confident131 Ų13181 Ų8157%0.5746%0.456SS*.  trans-84.3150.4178.3-78.8-173.4-178.1-178.20112.3R126 V234 N238R126-K241 PolarHBondContact NH2-O 3.5Å; V234-K241 HydrophobicContact CG1-CB 4.19Å; N238-K241 HydrophobicContact CB-CB 4.1Å; N238-K241 HydrophobicContact CB-CD 4.08Å; N238-K241 HydrophobicContact CB-CG 4.17Å; N238-K241 VanDerWaalsContact CG-CG 3.48Å; N238-K241 VanDerWaalsContact ND2-CD 3.32Å; N238-K241 WeakPolarHBondContact ND2-CD 3.44Å; N238-K241 VanDerWaalsContact ND2-CE 3.28Å; N238-K241 WeakPolarHBondContact ND2-CE 3.28Å; N238-K241 PolarHBondContact O-N 3.11Å; N238-K241 PolarHBondContact OD1-N 3.23Å
242G68.9Low71.4Confident45 Ų4582.7 Ų82.746%0.46446%0.463SS..  trans110.5138.9-179.700000111.7R126R126-G242 VanDerWaalsContact CZ-O 3.25Å; R126-G242 PolarHBondContact NH1-O 2.92Å; R126-G242 VanDerWaalsContact NH2-C 3.32Å; R126-G242 PolarHBondContact NH2-O 2.83Å
243K63.8Low70Confident196 Ų19683.3 Ų83.385%0.85247%0.466SS*.  trans-111.6142.6169.3-68-174.5179.6-177.70108.3
244F57.3Low68.5Low68 Ų6886.1 Ų86.130%0.29848%0.477SS..  trans-90.3113.7169.1177.8-102.8000107.1R123 V246R123-F244 HydrophobicContact CB-CD2 4.45Å; R123-F244 HydrophobicContact CB-CE2 4.29Å; R123-F244 VanDerWaalsContact NH2-CE1 3.27Å; F244-V246 HydrophobicContact CD1-CG2 4.06Å; F244-V246 HydrophobicContact CE1-CB 4.26Å; F244-V246 HydrophobicContact CE1-CG2 3.84Å
245N56.4Low67.3Low131 Ų13190.3 Ų90.370%0.70149%0.493SS*.  trans-81.6122.3165.4-81-0.9000107.4T247N245-T247 PolarHBondContact O-N 3.3Å
246V48.1Very low66.5Low109 Ų10995.4 Ų95.466%0.66152%0.516SS*.  trans-6799.3170.2-176.30000106.7F244 A248F244-V246 HydrophobicContact CD1-CG2 4.06Å; F244-V246 HydrophobicContact CE1-CB 4.26Å; F244-V246 HydrophobicContact CE1-CG2 3.84Å; V246-A248 PolarHBondContact O-N 3.11Å
247T48.6Very low65.8Low79 Ų7997 Ų9749%0.48552%0.519SS..PPolyproline II helixtrans-62.8135.8168.8-41.70000108.1N245 K249N245-T247 PolarHBondContact O-N 3.3Å; T247-K249 PolarHBondContact O-N 2.88Å
248A40.6Very low64.8Low91 Ų9191.4 Ų91.475%0.75249%0.49SS*.PPolyproline II helixtrans-52.8125.8-179.500000110.1V246V246-A248 PolarHBondContact O-N 3.11Å
249K40.6Very low64.2Low180 Ų18090 Ų9078%0.78348%0.483SS*.PPolyproline II helixtrans-81.1123.2-178.3-70.1-176.6175.9-177.10109.5T247T247-K249 PolarHBondContact O-N 2.88Å
250G51Low63.7Low46 Ų4693.8 Ų93.847%0.47450%0.495SS..  trans69.4152146.900000117E112E112-G250 WeakPolarHBondContact OE2-CA 3.19Å
251G54.2Low63.4Low47 Ų4791.5 Ų91.549%0.48549%0.491SS..  trans171.2150.3-174.700000110E112 V253E112-G251 PolarHBondContact OE2-N 3.4Å; G251-V253 PolarHBondContact O-N 2.89Å
252L58.6Low63.6Low66 Ų6685.8 Ų85.835%0.34647%0.467SS..  trans-64.8125.2175.2-77.4171.9000110E254 R324L252-E254 PolarHBondContact O-N 2.85Å; L252-R324 HydrophobicContact CD1-CG 3.58Å; L252-R324 VanDerWaalsContact CD1-NE 3.29Å; L252-R324 HydrophobicContact CD2-CB 4.42Å; L252-R324 HydrophobicContact CD2-CG 3.65Å; L252-R324 HydrophobicContact CG-CG 3.8Å
253V63.1Low64.4Low13 Ų1383.7 Ų83.78%0.07945%0.445CS..  trans-88.396.1170.9178.90000107.7G251 E255 Y257 Q321G251-V253 PolarHBondContact O-N 2.89Å; V253-E255 WeakPolarHBondContact CG1-O 3.24Å; V253-Y257 HydrophobicContact CB-CE1 4.47Å; V253-Y257 HydrophobicContact CG1-CD1 3.86Å; V253-Y257 HydrophobicContact CG1-CE1 3.64Å; V253-Y257 HydrophobicContact CG2-CE1 4.07Å; V253-Q321 HydrophobicContact CB-CB 4.14Å; V253-Q321 PolarHBondContact O-N 2.94Å
254E63.1Low65.6Low142 Ų14282.4 Ų82.466%0.66444%0.435SS*.  trans-75.5-27.8-176.4-65.3-170.3170.800113.4L252 K320L252-E254 PolarHBondContact O-N 2.85Å; E254-K320 WeakPolarHBondContact O-CD 3.42Å; E254-K320 WeakPolarHBondContact O-CE 3.14Å; E254-K320 WeakPolarHBondContact O-CG 3.32Å; E254-K320 PolarHBondContact O-NZ 3.39Å
255E68.8Low67.3Low154 Ų15479.6 Ų79.672%0.7242%0.423SS*.SBendtrans-133150.9-179.8-63.6-170.716400110.5V253 Y257V253-E255 WeakPolarHBondContact CG1-O 3.24Å; E255-Y257 PolarHBondContact O-N 3.01Å
256E76Confident69Low108 Ų10873.4 Ų73.451%0.50539%0.39SS..  trans-69.4130.3173.3-58.5-170160.800109.7E318 K320E256-E318 VanDerWaalsContact CA-O 3.28Å; E256-E318 WeakPolarHBondContact CA-O 3.3Å; E256-K320 HydrophobicContact CG-CB 4.09Å
257Y78.5Confident71Confident94 Ų9469.4 Ų69.437%0.36937%0.365SS..EExtended strand (participates in β ladder)trans-142.7157.2179.572.9-87.9000111.4V253 E255 D259 E318V253-Y257 HydrophobicContact CB-CE1 4.47Å; V253-Y257 HydrophobicContact CG1-CD1 3.86Å; V253-Y257 HydrophobicContact CG1-CE1 3.64Å; V253-Y257 HydrophobicContact CG2-CE1 4.07Å; E255-Y257 PolarHBondContact O-N 3.01Å; Y257-D259 HydrophobicContact CE2-CB 4.18Å; Y257-E318 HydrophobicContact CD1-CB 4.09Å; Y257-E318 HydrophobicContact CE1-CB 3.75Å; Y257-E318 HydrophobicContact CE1-CG 4.2Å; Y257-E318 HydrophobicContact CE2-CB 4.32Å; Y257-E318 HydrophobicContact CE2-CG 4.1Å; Y257-E318 PolarHBondContact N-O 3.23Å; Y257-E318 PolarHBondContact O-N 2.81Å
258V73.8Confident73.2Confident8 Ų871 Ų715%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-93.5123.6171.7-177.70000108.6W260 V317 F456V258-W260 VanDerWaalsContact C-N 3.26Å; V258-W260 HydrophobicContact CB-CD2 4.47Å; V258-W260 HydrophobicContact CB-CZ2 4.15Å; V258-W260 HydrophobicContact CG1-CD2 4.15Å; V258-W260 HydrophobicContact CG1-CE3 4.36Å; V258-W260 HydrophobicContact CG1-CH2 4.46Å; V258-W260 HydrophobicContact CG1-CZ2 4.27Å; V258-W260 VanDerWaalsContact O-CD1 3.27Å; V258-W260 PolarHBondContact O-N 3.31Å; V258-V317 HydrophobicContact CG2-CG1 4.43Å; V258-V317 HydrophobicContact CG2-CG2 4.17Å; V258-F456 HydrophobicContact CG2-CB 3.55Å; V258-F456 HydrophobicContact CG2-CD1 4.35Å; V258-F456 HydrophobicContact CG2-CD2 3.55Å; V258-F456 HydrophobicContact CG2-CE2 4.36Å; V258-F456 HydrophobicContact CG2-CG 3.57Å
259D80.4Confident75.8Confident23 Ų2366.9 Ų66.912%0.12333%0.33CS..  trans-73.984.5170.6-171-30.5000109.5Y257 V261 I262 S263 S316Y257-D259 HydrophobicContact CE2-CB 4.18Å; D259-V261 PolarHBondContact O-N 3.41Å; D259-V261 VanDerWaalsContact O-N 3.11Å; D259-V261 WeakPolarHBondContact OD1-CB 3.5Å; D259-V261 PolarHBondContact OD1-N 3.37Å; D259-V261 VanDerWaalsContact OD1-N 3.09Å; D259-I262 HydrophobicContact CB-CB 4.12Å; D259-I262 HydrophobicContact CB-CD1 4.39Å; D259-I262 HydrophobicContact CB-CG1 4.42Å; D259-I262 PolarHBondContact O-N 2.65Å; D259-I262 PolarHBondContact OD1-N 3.38Å; D259-I262 WeakPolarHBondContact OD2-CD1 3.31Å; D259-I262 WeakPolarHBondContact OD2-CG1 3.1Å; D259-S263 PolarHBondContact O-N 3.42Å; D259-S263 PolarHBondContact O-OG 3.44Å; D259-S316 PolarHBondContact N-O 3.18Å
260W78.7Confident78.3Confident94 Ų9458.3 Ų58.336%0.35629%0.293SS..Hα-helixtrans-57.9-26.2-178.8-68.8105000113.8V258 R264 I267 L453 F456V258-W260 VanDerWaalsContact C-N 3.26Å; V258-W260 HydrophobicContact CB-CD2 4.47Å; V258-W260 HydrophobicContact CB-CZ2 4.15Å; V258-W260 HydrophobicContact CG1-CD2 4.15Å; V258-W260 HydrophobicContact CG1-CE3 4.36Å; V258-W260 HydrophobicContact CG1-CH2 4.46Å; V258-W260 HydrophobicContact CG1-CZ2 4.27Å; V258-W260 VanDerWaalsContact O-CD1 3.27Å; V258-W260 PolarHBondContact O-N 3.31Å; W260-R264 VanDerWaalsContact O-CG 3.28Å; W260-R264 WeakPolarHBondContact O-CG 3.47Å; W260-R264 PolarHBondContact O-N 3.31Å; W260-I267 HydrophobicContact CE3-CD1 3.88Å; W260-I267 HydrophobicContact CZ3-CD1 3.69Å; W260-L453 HydrophobicContact CH2-CD1 3.95Å; W260-L453 HydrophobicContact CZ3-CD1 3.89Å; W260-F456 HydrophobicContact CZ2-CB 4.1Å; W260-F456 VanDerWaalsContact CZ2-O 3.29Å; W260-F456 WeakPolarHBondContact CZ2-O 3.39Å
261V81.3Confident80.4Confident96 Ų9659 Ų5958%0.58229%0.286SS*.Hα-helixtrans-70.8-43.6177.3-179.80000109D259D259-V261 PolarHBondContact O-N 3.41Å; D259-V261 VanDerWaalsContact O-N 3.11Å; D259-V261 WeakPolarHBondContact OD1-CB 3.5Å; D259-V261 PolarHBondContact OD1-N 3.37Å; D259-V261 VanDerWaalsContact OD1-N 3.09Å
262I84.3Confident82.3Confident12 Ų1259.2 Ų59.26%0.06228%0.276CS..Hα-helixtrans-74.4-35.3178.9-67.2178.9000112.7L114 I118 Y227 D259 R264 P265 Y266L114-I262 HydrophobicContact CD2-CG2 3.79Å; L114-I262 HydrophobicContact CG-CD1 4.43Å; L114-I262 HydrophobicContact CG-CG2 4.27Å; I118-I262 HydrophobicContact CD1-CD1 4.25Å; I118-I262 HydrophobicContact CD1-CG2 3.51Å; Y227-I262 HydrophobicContact CE2-CG2 4.23Å; Y227-I262 VanDerWaalsContact OH-C 3.26Å; Y227-I262 WeakPolarHBondContact OH-CA 3.37Å; Y227-I262 PolarHBondContact OH-O 3.02Å; D259-I262 HydrophobicContact CB-CB 4.12Å; D259-I262 HydrophobicContact CB-CD1 4.39Å; D259-I262 HydrophobicContact CB-CG1 4.42Å; D259-I262 PolarHBondContact O-N 2.65Å; D259-I262 PolarHBondContact OD1-N 3.38Å; D259-I262 WeakPolarHBondContact OD2-CD1 3.31Å; D259-I262 WeakPolarHBondContact OD2-CG1 3.1Å; I262-R264 VanDerWaalsContact C-N 3.3Å; I262-R264 PolarHBondContact O-N 3.24Å; I262-P265 VanDerWaalsContact O-CD 3.28Å; I262-P265 WeakPolarHBondContact O-CD 3.43Å; I262-Y266 HydrophobicContact CG2-CE2 4.07Å; I262-Y266 WeakPolarHBondContact O-CE2 3.1Å
263S86Confident84.1Confident0 Ų056.1 Ų56.10%026%0.259CS..Hα-helixtrans-75-17.7-177-49.60000113.6D259 Y266 I267 S316D259-S263 PolarHBondContact O-N 3.42Å; D259-S263 PolarHBondContact O-OG 3.44Å; S263-Y266 PolarHBondContact O-N 3.29Å; S263-I267 WeakPolarHBondContact O-CG1 3.41Å; S263-I267 PolarHBondContact O-N 2.8Å; S263-S316 WeakPolarHBondContact OG-CB 3.45Å; S263-S316 PolarHBondContact OG-OG 3.17Å
264R89.1Confident85.6Confident170 Ų17056.9 Ų56.964%0.64226%0.263SS*.Hα-helixtrans-46.7-51-176.5-92.3163.5-173.1-172.72.3114.1W260 I262 Y266 I267 F268W260-R264 VanDerWaalsContact O-CG 3.28Å; W260-R264 WeakPolarHBondContact O-CG 3.47Å; W260-R264 PolarHBondContact O-N 3.31Å; I262-R264 VanDerWaalsContact C-N 3.3Å; I262-R264 PolarHBondContact O-N 3.24Å; R264-Y266 PolarHBondContact O-N 3.34Å; R264-I267 PolarHBondContact O-N 3.34Å; R264-F268 WeakPolarHBondContact O-CB 3.11Å; R264-F268 PolarHBondContact O-N 2.98Å
265P92.2Very high87.2Confident9 Ų953.9 Ų53.96%0.05825%0.254CS..Hα-helixtrans-64.4-40.2179.6-24.437.4000113.5W226 Y227 I262 F268 L269W226-P265 HydrophobicContact CB-CB 3.85Å; W226-P265 HydrophobicContact CB-CG 4.3Å; W226-P265 HydrophobicContact CD2-CB 3.52Å; W226-P265 HydrophobicContact CD2-CG 4.04Å; W226-P265 HydrophobicContact CE3-CB 4.08Å; W226-P265 HydrophobicContact CG-CB 3.37Å; W226-P265 HydrophobicContact CG-CG 3.62Å; Y227-P265 HydrophobicContact CE2-CG 4.34Å; Y227-P265 VanDerWaalsContact OH-CD 3.32Å; Y227-P265 WeakPolarHBondContact OH-CD 3.32Å; Y227-P265 WeakPolarHBondContact OH-CG 3.41Å; I262-P265 VanDerWaalsContact O-CD 3.28Å; I262-P265 WeakPolarHBondContact O-CD 3.43Å; P265-F268 PolarHBondContact O-N 2.72Å; P265-L269 WeakPolarHBondContact O-CB 3.19Å; P265-L269 WeakPolarHBondContact O-CG 3.44Å; P265-L269 PolarHBondContact O-N 2.9Å
266Y91.6Very high88.5Confident0 Ų046.5 Ų46.50%022%0.22CC..Hα-helixtrans-68.1-41.7179.8-40.1-42.6000110.4V223 Y227 I262 S263 R264 F268 L269 V270 A312V223-Y266 WeakPolarHBondContact CA-OH 3.31Å; V223-Y266 WeakPolarHBondContact CG1-OH 3.22Å; V223-Y266 PolarHBondContact O-OH 3.15Å; Y227-Y266 HydrophobicContact CE2-CE1 4.26Å; Y227-Y266 AromaticContact CE2-CZ 3.91Å; Y227-Y266 VanDerWaalsContact CE2-OH 3.31Å; Y227-Y266 WeakPolarHBondContact CE2-OH 3.44Å; I262-Y266 HydrophobicContact CG2-CE2 4.07Å; I262-Y266 WeakPolarHBondContact O-CE2 3.1Å; S263-Y266 PolarHBondContact O-N 3.29Å; R264-Y266 PolarHBondContact O-N 3.34Å; Y266-F268 VanDerWaalsContact C-N 3.34Å; Y266-F268 PolarHBondContact O-N 3.14Å; Y266-L269 PolarHBondContact O-N 3.11Å; Y266-V270 WeakPolarHBondContact O-CB 3.47Å; Y266-V270 VanDerWaalsContact O-CG2 3.23Å; Y266-V270 WeakPolarHBondContact O-CG2 3.16Å; Y266-V270 PolarHBondContact O-N 3.27Å; Y266-A312 HydrophobicContact CD1-CB 4.46Å; Y266-A312 HydrophobicContact CD2-CB 4.49Å; Y266-A312 HydrophobicContact CG-CB 4.34Å
267I90.5Very high89.5Confident26 Ų2642 Ų4213%0.13320%0.2CC..Hα-helixtrans-60.4-45.3174.8-66.3165.5000110.2W260 S263 R264 L269 V270 L271 L453 F465W260-I267 HydrophobicContact CE3-CD1 3.88Å; W260-I267 HydrophobicContact CZ3-CD1 3.69Å; S263-I267 WeakPolarHBondContact O-CG1 3.41Å; S263-I267 PolarHBondContact O-N 2.8Å; R264-I267 PolarHBondContact O-N 3.34Å; I267-L269 PolarHBondContact O-N 2.96Å; I267-V270 PolarHBondContact O-N 2.76Å; I267-L271 HydrophobicContact CG2-CD1 4.01Å; I267-L271 HydrophobicContact CG2-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CB 3.1Å; I267-L271 VanDerWaalsContact O-CG 3.29Å; I267-L271 WeakPolarHBondContact O-CG 3.05Å; I267-L271 PolarHBondContact O-N 3.36Å; I267-L453 HydrophobicContact CD1-CD1 4.04Å; I267-L453 HydrophobicContact CG1-CD1 4.18Å; I267-L453 HydrophobicContact CG1-CD2 4.25Å; I267-F465 HydrophobicContact CG2-CZ 4.34Å
268F93.9Very high90.3Very high111 Ų11140.4 Ų40.449%0.48721%0.206SC..Hα-helixtrans-58.2-48.5175.1172.5-101.4000111.7R264 P265 Y266 V270 L271 L272R264-F268 WeakPolarHBondContact O-CB 3.11Å; R264-F268 PolarHBondContact O-N 2.98Å; P265-F268 PolarHBondContact O-N 2.72Å; Y266-F268 VanDerWaalsContact C-N 3.34Å; Y266-F268 PolarHBondContact O-N 3.14Å; F268-V270 VanDerWaalsContact C-N 3.35Å; F268-V270 PolarHBondContact O-N 3.33Å; F268-L271 PolarHBondContact O-N 2.87Å; F268-L272 HydrophobicContact CE1-CD2 4.23Å; F268-L272 HydrophobicContact CZ-CD2 4.38Å; F268-L272 VanDerWaalsContact O-CB 3.27Å; F268-L272 WeakPolarHBondContact O-CB 3.37Å; F268-L272 PolarHBondContact O-N 3.02Å
269L95.6Very high91.3Very high5 Ų542 Ų423%0.02622%0.215CC..Hα-helixtrans-64.8-36.3178.5-71.1171.2000112.8L165 L168 T169 P265 Y266 I267 N273 L309L165-L269 HydrophobicContact CD2-CD1 4.08Å; L168-L269 HydrophobicContact CD1-CD1 4.14Å; T169-L269 HydrophobicContact CG2-CD2 4Å; P265-L269 WeakPolarHBondContact O-CB 3.19Å; P265-L269 WeakPolarHBondContact O-CG 3.44Å; P265-L269 PolarHBondContact O-N 2.9Å; Y266-L269 PolarHBondContact O-N 3.11Å; I267-L269 PolarHBondContact O-N 2.96Å; L269-N273 WeakPolarHBondContact O-CB 3.22Å; L269-N273 PolarHBondContact O-N 3.33Å; L269-N273 PolarHBondContact O-ND2 3.21Å; L269-L309 HydrophobicContact CB-CD1 3.96Å; L269-L309 HydrophobicContact CB-CD2 3.74Å; L269-L309 HydrophobicContact CD1-CD2 4.09Å
270V93.8Very high92.1Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-60.8-56.7172165.10000109.3Y266 I267 F268 L272 N273 L274 L306 L309 V313 Y450Y266-V270 WeakPolarHBondContact O-CB 3.47Å; Y266-V270 VanDerWaalsContact O-CG2 3.23Å; Y266-V270 WeakPolarHBondContact O-CG2 3.16Å; Y266-V270 PolarHBondContact O-N 3.27Å; I267-V270 PolarHBondContact O-N 2.76Å; F268-V270 VanDerWaalsContact C-N 3.35Å; F268-V270 PolarHBondContact O-N 3.33Å; V270-L272 PolarHBondContact O-N 3.46Å; V270-N273 PolarHBondContact O-N 3.11Å; V270-N273 VanDerWaalsContact O-N 3.08Å; V270-L274 HydrophobicContact CG1-CD1 3.85Å; V270-L274 HydrophobicContact CG1-CG 4.36Å; V270-L274 VanDerWaalsContact O-CG 3.26Å; V270-L274 WeakPolarHBondContact O-CG 3.07Å; V270-L274 PolarHBondContact O-N 3.48Å; V270-L306 HydrophobicContact CG1-CD2 4.39Å; V270-L309 HydrophobicContact CG2-CB 3.7Å; V270-L309 HydrophobicContact CG2-CD1 4.2Å; V270-L309 HydrophobicContact CG2-CG 4.43Å; V270-V313 HydrophobicContact CG2-CG2 4.45Å; V270-Y450 HydrophobicContact CG1-CE1 3.72Å; V270-Y450 HydrophobicContact CG2-CE1 3.88Å
271L93.9Very high92.9Very high62 Ų6240.5 Ų40.533%0.32521%0.213SC..Hα-helixtrans-56.7-42.1-179.2-69.1173.9000111.4I267 F268 L274 V275 I464I267-L271 HydrophobicContact CG2-CD1 4.01Å; I267-L271 HydrophobicContact CG2-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CB 3.1Å; I267-L271 VanDerWaalsContact O-CG 3.29Å; I267-L271 WeakPolarHBondContact O-CG 3.05Å; I267-L271 PolarHBondContact O-N 3.36Å; F268-L271 PolarHBondContact O-N 2.87Å; L271-L274 PolarHBondContact O-N 3.22Å; L271-V275 WeakPolarHBondContact O-CG2 3.37Å; L271-V275 PolarHBondContact O-N 3.14Å; L271-I464 HydrophobicContact CD2-CG2 4.31Å
272L95.9Very high93.6Very high51 Ų5143 Ų4327%0.26721%0.213SC..Hα-helixtrans-63.4-43177.4-170.967.6000112.1T169 L172 L176 F268 V270 L274 V275 G276T169-L272 HydrophobicContact CG2-CD2 4.24Å; L172-L272 HydrophobicContact CD1-CB 4.43Å; L172-L272 HydrophobicContact CD1-CD2 3.81Å; L172-L272 HydrophobicContact CD1-CG 3.63Å; L176-L272 HydrophobicContact CD1-CD1 4.29Å; F268-L272 HydrophobicContact CE1-CD2 4.23Å; F268-L272 HydrophobicContact CZ-CD2 4.38Å; F268-L272 VanDerWaalsContact O-CB 3.27Å; F268-L272 WeakPolarHBondContact O-CB 3.37Å; F268-L272 PolarHBondContact O-N 3.02Å; V270-L272 PolarHBondContact O-N 3.46Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 PolarHBondContact O-N 3.06Å; L272-V275 PolarHBondContact O-N 3.43Å; L272-G276 PolarHBondContact O-N 2.94Å
273N96.4Very high94Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-66-32.5174.7-86.6-89.2000112L168 L269 V270 G276 V277 V302 L306L168-N273 PolarHBondContact O-ND2 2.69Å; L168-N273 VanDerWaalsContact O-ND2 3.11Å; L168-N273 PolarHBondContact O-OD1 3.34Å; L269-N273 WeakPolarHBondContact O-CB 3.22Å; L269-N273 PolarHBondContact O-N 3.33Å; L269-N273 PolarHBondContact O-ND2 3.21Å; V270-N273 PolarHBondContact O-N 3.11Å; V270-N273 VanDerWaalsContact O-N 3.08Å; N273-G276 CarbonylContact O-C 3.46Å; N273-G276 VanDerWaalsContact O-CA 3.28Å; N273-G276 WeakPolarHBondContact O-CA 3.29Å; N273-G276 PolarHBondContact O-N 3.03Å; N273-G276 VanDerWaalsContact O-N 3.12Å; N273-V277 WeakPolarHBondContact O-CG2 3.19Å; N273-V277 PolarHBondContact O-N 3.35Å; N273-V302 HydrophobicContact CB-CG1 4.02Å; N273-V302 WeakPolarHBondContact O-CG1 3.09Å; N273-L306 HydrophobicContact CB-CD2 3.71Å; N273-L306 HydrophobicContact CB-CG 4.03Å
274L94.7Very high94.4Very high30 Ų3048.6 Ų48.616%0.15723%0.234CC..Hα-helixtrans-71.3-36.6176-65174.7000113.9V270 L271 L272 G276 V277 A278 L306 L468V270-L274 HydrophobicContact CG1-CD1 3.85Å; V270-L274 HydrophobicContact CG1-CG 4.36Å; V270-L274 VanDerWaalsContact O-CG 3.26Å; V270-L274 WeakPolarHBondContact O-CG 3.07Å; V270-L274 PolarHBondContact O-N 3.48Å; L271-L274 PolarHBondContact O-N 3.22Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 PolarHBondContact O-N 3.06Å; L274-G276 PolarHBondContact O-N 2.92Å; L274-V277 PolarHBondContact O-N 2.92Å; L274-A278 PolarHBondContact O-N 2.85Å; L274-L306 HydrophobicContact CD2-CD1 3.7Å; L274-L306 HydrophobicContact CD2-CD2 3.76Å; L274-L306 HydrophobicContact CD2-CG 4.41Å; L274-L306 HydrophobicContact CG-CD2 4.04Å; L274-L468 HydrophobicContact CD1-CD1 3.25Å; L274-L468 HydrophobicContact CD1-CD2 3.5Å; L274-L468 VanDerWaalsContact CD1-CD2 3.5Å; L274-L468 HydrophobicContact CD1-CG 3.83Å; L274-L468 HydrophobicContact CD2-CD2 3.23Å; L274-L468 HydrophobicContact CD2-CG 4.42Å; L274-L468 HydrophobicContact CG-CD1 4.48Å; L274-L468 HydrophobicContact CG-CD2 3.94Å
275V96.1Very high94.6Very high78 Ų7847.5 Ų47.547%0.47323%0.234SC..Hα-helixtrans-59.6-41.1166.5177.80000109.3L176 L271 L272 V277 A278 V279L176-V275 HydrophobicContact CD2-CG1 3.87Å; L271-V275 WeakPolarHBondContact O-CG2 3.37Å; L271-V275 PolarHBondContact O-N 3.14Å; L272-V275 PolarHBondContact O-N 3.43Å; V275-V277 PolarHBondContact O-N 3.06Å; V275-A278 PolarHBondContact O-N 2.87Å; V275-V279 HydrophobicContact CG1-CG2 4.31Å; V275-V279 WeakPolarHBondContact O-CG2 3.48Å; V275-V279 PolarHBondContact O-N 2.8Å
276G96.5Very high94.7Very high0 Ų055.6 Ų55.60%026%0.264CS..Hα-helixtrans-54.3-48.2170.800000113.8L272 N273 L274 G280L272-G276 PolarHBondContact O-N 2.94Å; N273-G276 CarbonylContact O-C 3.46Å; N273-G276 VanDerWaalsContact O-CA 3.28Å; N273-G276 WeakPolarHBondContact O-CA 3.29Å; N273-G276 PolarHBondContact O-N 3.03Å; N273-G276 VanDerWaalsContact O-N 3.12Å; L274-G276 PolarHBondContact O-N 2.92Å; G276-G280 PolarHBondContact O-N 2.75Å
277V95.6Very high94.7Very high14 Ų1456.6 Ų56.69%0.08528%0.275CS..Hα-helixtrans-59.8-48.4175.9173.30000111.1N273 L274 V275 V279 G280 I281 M299 V302 F303 L306N273-V277 WeakPolarHBondContact O-CG2 3.19Å; N273-V277 PolarHBondContact O-N 3.35Å; L274-V277 PolarHBondContact O-N 2.92Å; V275-V277 PolarHBondContact O-N 3.06Å; V277-V279 PolarHBondContact O-N 2.89Å; V277-G280 PolarHBondContact O-N 2.95Å; V277-I281 HydrophobicContact CG1-CD1 3.98Å; V277-I281 WeakPolarHBondContact O-CG1 3.34Å; V277-I281 PolarHBondContact O-N 3.43Å; V277-M299 HydrophobicContact CB-CE 4.14Å; V277-M299 HydrophobicContact CG1-CE 3.74Å; V277-M299 HydrophobicContact CG2-CE 4.33Å; V277-V302 HydrophobicContact CG2-CG1 3.47Å; V277-V302 VanDerWaalsContact CG2-CG1 3.47Å; V277-F303 HydrophobicContact CG1-CZ 4.12Å; V277-F303 HydrophobicContact CG2-CE1 4.45Å; V277-F303 HydrophobicContact CG2-CZ 4.49Å; V277-L306 HydrophobicContact CG2-CD1 3.75Å
278A95.5Very high94.7Very high60 Ų6058 Ų5850%0.49629%0.286SS..Hα-helixtrans-61.9-45.9-178.800000112.1L274 V275 G280 I281 W282L274-A278 PolarHBondContact O-N 2.85Å; V275-A278 PolarHBondContact O-N 2.87Å; A278-G280 VanDerWaalsContact C-N 3.35Å; A278-I281 PolarHBondContact O-N 3.49Å; A278-W282 PolarHBondContact O-N 3.07Å
279V96.1Very high94.4Very high40 Ų4057.6 Ų57.624%0.24229%0.294CS..Hα-helixtrans-68.5-35.3177178.40000111.2L175 L176 V275 V277 W282 R283L175-V279 WeakPolarHBondContact O-CG1 3.32Å; L176-V279 HydrophobicContact CD2-CB 3.9Å; L176-V279 HydrophobicContact CD2-CG1 4.33Å; L176-V279 HydrophobicContact CD2-CG2 3.71Å; V275-V279 HydrophobicContact CG1-CG2 4.31Å; V275-V279 WeakPolarHBondContact O-CG2 3.48Å; V275-V279 PolarHBondContact O-N 2.8Å; V277-V279 PolarHBondContact O-N 2.89Å; V279-W282 HydrophobicContact CG1-CE3 4.35Å; V279-W282 PolarHBondContact O-N 2.88Å; V279-R283 HydrophobicContact CG1-CG 4.36Å; V279-R283 WeakPolarHBondContact O-CB 3.15Å; V279-R283 WeakPolarHBondContact O-CG 3.36Å; V279-R283 PolarHBondContact O-N 3.38Å
280G95.8Very high94.1Very high1 Ų163.5 Ų63.51%0.0133%0.33CS..Hα-helixtrans-66-39.4175.300000113.3G276 V277 A278 R283 Y284 V295G276-G280 PolarHBondContact O-N 2.75Å; V277-G280 PolarHBondContact O-N 2.95Å; A278-G280 VanDerWaalsContact C-N 3.35Å; G280-R283 PolarHBondContact O-N 3.49Å; G280-Y284 WeakPolarHBondContact O-CB 3.5Å; G280-Y284 PolarHBondContact O-N 3.09Å; G280-V295 VanDerWaalsContact O-CG1 3.29Å; G280-V295 WeakPolarHBondContact O-CG1 3.47Å
281I95.4Very high94Very high85 Ų8564.5 Ų64.544%0.43634%0.335SS..Hα-helixtrans-61-47.3170.8-68.1166.5000109.9V277 A278 R283 Y284 F285 M299V277-I281 HydrophobicContact CG1-CD1 3.98Å; V277-I281 WeakPolarHBondContact O-CG1 3.34Å; V277-I281 PolarHBondContact O-N 3.43Å; A278-I281 PolarHBondContact O-N 3.49Å; I281-R283 PolarHBondContact O-N 3.37Å; I281-Y284 WeakPolarHBondContact O-CB 3.37Å; I281-Y284 PolarHBondContact O-N 3.2Å; I281-F285 HydrophobicContact CG2-CD2 4.18Å; I281-F285 HydrophobicContact CG2-CE2 4.02Å; I281-F285 VanDerWaalsContact O-CD2 3.25Å; I281-F285 WeakPolarHBondContact O-CD2 3.22Å; I281-F285 PolarHBondContact O-N 2.66Å; I281-M299 HydrophobicContact CG1-CE 4.11Å
282W95.8Very high93.9Very high150 Ų15064.9 Ų64.957%0.56834%0.336SS*.Hα-helixtrans-59.5-45.9177.1174.179.3000112.1A278 V279 Y284 F285 Y286A278-W282 PolarHBondContact O-N 3.07Å; V279-W282 HydrophobicContact CG1-CE3 4.35Å; V279-W282 PolarHBondContact O-N 2.88Å; W282-Y284 VanDerWaalsContact C-N 3.3Å; W282-Y284 PolarHBondContact O-N 3.18Å; W282-F285 PolarHBondContact O-N 3.35Å; W282-Y286 AromaticContact CD1-CD2 3.43Å; W282-Y286 VanDerWaalsContact CD1-CD2 3.43Å; W282-Y286 AromaticContact CD1-CE2 3.99Å; W282-Y286 HydrophobicContact CG-CD2 4.19Å; W282-Y286 AromaticContact NE1-CD2 3.6Å; W282-Y286 AromaticContact NE1-CG 3.95Å; W282-Y286 WeakPolarHBondContact O-CD2 3.5Å; W282-Y286 PolarHBondContact O-N 2.89Å
283R94.3Very high93.7Very high23 Ų2367.8 Ų67.89%0.08735%0.351CS..Hα-helixtrans-63.1-32.5176.3-78.6-173.8171-1320.4113.6F174 L175 H178 V279 G280 I281 F285 G287 E291 V295F174-R283 PolarHBondContact O-NH1 3.32Å; F174-R283 PolarHBondContact O-NH2 2.98Å; L175-R283 PolarHBondContact O-NE 3.24Å; L175-R283 PolarHBondContact O-NH2 3.08Å; H178-R283 VanDerWaalsContact CA-NH2 3.26Å; H178-R283 PolarHBondContact ND1-NH1 2.73Å; H178-R283 PolarHBondContact ND1-NH2 3.43Å; H178-R283 VanDerWaalsContact ND1-NH2 3.18Å; V279-R283 HydrophobicContact CG1-CG 4.36Å; V279-R283 WeakPolarHBondContact O-CB 3.15Å; V279-R283 WeakPolarHBondContact O-CG 3.36Å; V279-R283 PolarHBondContact O-N 3.38Å; G280-R283 PolarHBondContact O-N 3.49Å; I281-R283 PolarHBondContact O-N 3.37Å; R283-F285 VanDerWaalsContact C-N 3.28Å; R283-F285 PolarHBondContact O-N 3.48Å; R283-G287 WeakPolarHBondContact O-CA 3.15Å; R283-G287 PolarHBondContact O-N 3.49Å; R283-E291 IonicContact NH1-OE2 3.98Å; R283-V295 HydrophobicContact CB-CG1 4.32Å; R283-V295 HydrophobicContact CB-CG2 3.99Å
284Y93.7Very high93.5Very high106 Ų10669.3 Ų69.342%0.41636%0.361SS..Hα-helixtrans-63.1-37.7177.3-176.9-94.5000111.8G280 I281 W282 V296G280-Y284 WeakPolarHBondContact O-CB 3.5Å; G280-Y284 PolarHBondContact O-N 3.09Å; I281-Y284 WeakPolarHBondContact O-CB 3.37Å; I281-Y284 PolarHBondContact O-N 3.2Å; W282-Y284 VanDerWaalsContact C-N 3.3Å; W282-Y284 PolarHBondContact O-N 3.18Å; Y284-V296 HydrophobicContact CD2-CG2 4.07Å; Y284-V296 HydrophobicContact CE2-CG2 3.86Å
285F94.5Very high93.4Very high147 Ų14768.1 Ų68.165%0.64535%0.354SS*.Hα-helixtrans-89.6-33.6-179.2-69.6-70.6000114.2I281 W282 R283I281-F285 HydrophobicContact CG2-CD2 4.18Å; I281-F285 HydrophobicContact CG2-CE2 4.02Å; I281-F285 VanDerWaalsContact O-CD2 3.25Å; I281-F285 WeakPolarHBondContact O-CD2 3.22Å; I281-F285 PolarHBondContact O-N 2.66Å; W282-F285 PolarHBondContact O-N 3.35Å; R283-F285 VanDerWaalsContact C-N 3.28Å; R283-F285 PolarHBondContact O-N 3.48Å
286Y93.7Very high93.3Very high179 Ų17967.3 Ų67.370%0.70235%0.349SS*.Hα-helixtrans-116.5-4.1-171.9-61.2-80000114.2W282W282-Y286 AromaticContact CD1-CD2 3.43Å; W282-Y286 VanDerWaalsContact CD1-CD2 3.43Å; W282-Y286 AromaticContact CD1-CE2 3.99Å; W282-Y286 HydrophobicContact CG-CD2 4.19Å; W282-Y286 AromaticContact NE1-CD2 3.6Å; W282-Y286 AromaticContact NE1-CG 3.95Å; W282-Y286 WeakPolarHBondContact O-CD2 3.5Å; W282-Y286 PolarHBondContact O-N 2.89Å
287G90.4Very high93.1Very high21 Ų2170.1 Ų70.122%0.21637%0.367CS..SBendtrans-85.3172.9179.500000113.6R283R283-G287 WeakPolarHBondContact O-CA 3.15Å; R283-G287 PolarHBondContact O-N 3.49Å
288P90.4Very high93Very high56 Ų5670.1 Ų70.136%0.36437%0.367SS..  trans-59.4133.5178.5-23.334.3000112T290 E291P288-T290 PolarHBondContact O-N 2.98Å; P288-T290 VanDerWaalsContact O-N 3.12Å; P288-E291 HydrophobicContact CB-CG 4.17Å; P288-E291 HydrophobicContact CG-CG 4.45Å; P288-E291 PolarHBondContact O-N 2.62Å
289P89.2Confident92.9Very high102 Ų10268.3 Ų68.366%0.66235%0.349SS*.G310 helixtrans-57.3-30.5179.2-2734.8000113.9E291 M292P289-E291 PolarHBondContact O-N 3.2Å; P289-M292 HydrophobicContact CB-CE 4.36Å; P289-M292 WeakPolarHBondContact O-CG 3.3Å; P289-M292 PolarHBondContact O-N 3.06Å
290T89.1Confident92.8Very high128 Ų12870.7 Ų70.779%0.78536%0.363SS*.G310 helixtrans-64.5-20.7177.549.20000113.5P288P288-T290 PolarHBondContact O-N 2.98Å; P288-T290 VanDerWaalsContact O-N 3.12Å
291E90.8Very high92.7Very high21 Ų2174.6 Ų74.610%0.09838%0.378CS..G310 helixtrans-102.2-4.6-175.9-63.5-180-170.700113.4F174 H178 Y180 R283 P288 P289 L293 T294 V295F174-E291 HydrophobicContact CZ-CB 4.35Å; H178-E291 IonicContact CE1-OE1 3.92Å; H178-E291 PolarHBondContact CE1-OE1 3.13Å; H178-E291 IonicContact CE1-OE2 3.14Å; H178-E291 PolarHBondContact CE1-OE2 2.98Å; H178-E291 IonicContact ND1-OE2 3.99Å; H178-E291 IonicContact NE2-OE1 3.18Å; H178-E291 PolarHBondContact NE2-OE1 3.39Å; Y180-E291 WeakPolarHBondContact OH-CG 3.41Å; Y180-E291 PolarHBondContact OH-OE1 3.44Å; R283-E291 IonicContact NH1-OE2 3.98Å; P288-E291 HydrophobicContact CB-CG 4.17Å; P288-E291 HydrophobicContact CG-CG 4.45Å; P288-E291 PolarHBondContact O-N 2.62Å; P289-E291 PolarHBondContact O-N 3.2Å; E291-L293 VanDerWaalsContact C-N 3.27Å; E291-L293 PolarHBondContact O-N 2.97Å; E291-T294 WeakPolarHBondContact O-CA 3.49Å; E291-T294 WeakPolarHBondContact O-CB 3.34Å; E291-T294 PolarHBondContact O-N 3.35Å; E291-V295 PolarHBondContact O-N 2.96Å
292M91.7Very high92.8Very high71 Ų7170.5 Ų70.535%0.3536%0.357SS..Hα-helixtrans-53.2-43.7-174.3-74.4179.2170.800112.3P289 T294 V295 V296P289-M292 HydrophobicContact CB-CE 4.36Å; P289-M292 WeakPolarHBondContact O-CG 3.3Å; P289-M292 PolarHBondContact O-N 3.06Å; M292-T294 PolarHBondContact O-N 2.74Å; M292-V295 PolarHBondContact O-N 3.34Å; M292-V296 WeakPolarHBondContact O-CG2 3.32Å; M292-V296 PolarHBondContact O-N 3.28Å
293L91.8Very high92.7Very high112 Ų11267.2 Ų67.259%0.58635%0.347SS*.Hα-helixtrans-66.1-36.9177.2-67.4176.5000112.6A186 E291 V296 V297A186-L293 HydrophobicContact CB-CB 3.61Å; E291-L293 VanDerWaalsContact C-N 3.27Å; E291-L293 PolarHBondContact O-N 2.97Å; L293-V296 PolarHBondContact O-N 2.82Å; L293-V297 WeakPolarHBondContact O-CG2 3.41Å; L293-V297 PolarHBondContact O-N 3.04Å
294T92.2Very high92.6Very high32 Ų3268.5 Ų68.520%0.19635%0.352CS..Hα-helixtrans-66.1-39.7176.2-530000111.2F174 E291 M292 S298F174-T294 HydrophobicContact CD1-CG2 4.01Å; F174-T294 HydrophobicContact CD2-CG2 4.32Å; F174-T294 HydrophobicContact CE1-CG2 3.69Å; F174-T294 HydrophobicContact CE2-CG2 4.02Å; F174-T294 HydrophobicContact CG-CG2 4.32Å; F174-T294 HydrophobicContact CZ-CG2 3.7Å; E291-T294 WeakPolarHBondContact O-CA 3.49Å; E291-T294 WeakPolarHBondContact O-CB 3.34Å; E291-T294 PolarHBondContact O-N 3.35Å; M292-T294 PolarHBondContact O-N 2.74Å; T294-S298 VanDerWaalsContact O-CB 3.31Å; T294-S298 WeakPolarHBondContact O-CB 3.34Å; T294-S298 PolarHBondContact O-N 3.08Å; T294-S298 PolarHBondContact O-OG 3.25Å
295V93.8Very high92.7Very high4 Ų463.7 Ų63.72%0.02433%0.333CS..Hα-helixtrans-60.7-48.6172176.60000110.1F174 L175 G280 R283 E291 M292 S298 M299F174-V295 HydrophobicContact CE1-CB 4.45Å; F174-V295 HydrophobicContact CE1-CG2 3.74Å; F174-V295 HydrophobicContact CZ-CG2 4.04Å; L175-V295 HydrophobicContact CD2-CG1 4.35Å; G280-V295 VanDerWaalsContact O-CG1 3.29Å; G280-V295 WeakPolarHBondContact O-CG1 3.47Å; R283-V295 HydrophobicContact CB-CG1 4.32Å; R283-V295 HydrophobicContact CB-CG2 3.99Å; E291-V295 PolarHBondContact O-N 2.96Å; M292-V295 PolarHBondContact O-N 3.34Å; V295-S298 PolarHBondContact O-N 2.65Å; V295-M299 HydrophobicContact CG1-CG 4.19Å; V295-M299 WeakPolarHBondContact O-CB 3.29Å; V295-M299 WeakPolarHBondContact O-CG 3.47Å; V295-M299 PolarHBondContact O-N 3.08Å
296V93.3Very high92.7Very high61 Ų6157.3 Ų57.337%0.3731%0.306SS..Hα-helixtrans-59.7-49.4178.8171.40000111.7Y284 M292 L293 S298 M299 V300Y284-V296 HydrophobicContact CD2-CG2 4.07Å; Y284-V296 HydrophobicContact CE2-CG2 3.86Å; M292-V296 WeakPolarHBondContact O-CG2 3.32Å; M292-V296 PolarHBondContact O-N 3.28Å; L293-V296 PolarHBondContact O-N 2.82Å; V296-S298 VanDerWaalsContact C-N 3.33Å; V296-S298 PolarHBondContact O-N 3.19Å; V296-M299 PolarHBondContact O-N 2.94Å; V296-V300 WeakPolarHBondContact O-CG2 3.45Å; V296-V300 PolarHBondContact O-N 3.03Å
297V91.9Very high92.7Very high59 Ų5950.9 Ų50.936%0.35828%0.283SS..Hα-helixtrans-61.1-42.6178.6171.30000111.3A186 L293 V300 W301A186-V297 HydrophobicContact CB-CG2 4.12Å; L293-V297 WeakPolarHBondContact O-CG2 3.41Å; L293-V297 PolarHBondContact O-N 3.04Å; V297-V300 PolarHBondContact O-N 3.41Å; V297-W301 PolarHBondContact O-N 3.49Å; V297-W301 VanDerWaalsContact O-N 3.11Å
298S93.9Very high92.9Very high15 Ų1550 Ų5011%0.10527%0.274CS..Hα-helixtrans-64.5-41.2177.2-57.90000111.7F174 T294 V295 V296 W301 V302F174-S298 WeakPolarHBondContact CD1-OG 3.29Å; T294-S298 VanDerWaalsContact O-CB 3.31Å; T294-S298 WeakPolarHBondContact O-CB 3.34Å; T294-S298 PolarHBondContact O-N 3.08Å; T294-S298 PolarHBondContact O-OG 3.25Å; V295-S298 PolarHBondContact O-N 2.65Å; V296-S298 VanDerWaalsContact C-N 3.33Å; V296-S298 PolarHBondContact O-N 3.19Å; S298-W301 PolarHBondContact O-N 2.78Å; S298-V302 WeakPolarHBondContact O-CG2 3.34Å; S298-V302 PolarHBondContact O-N 2.85Å
299M94.4Very high93.1Very high21 Ų2147.3 Ų47.310%0.10326%0.256CS..Hα-helixtrans-63.1-43.3176.2-75.1-68.4-67.500111.8L175 V277 I281 V295 V296 W301 V302 F303L175-M299 HydrophobicContact CD1-SD 4.29Å; V277-M299 HydrophobicContact CB-CE 4.14Å; V277-M299 HydrophobicContact CG1-CE 3.74Å; V277-M299 HydrophobicContact CG2-CE 4.33Å; I281-M299 HydrophobicContact CG1-CE 4.11Å; V295-M299 HydrophobicContact CG1-CG 4.19Å; V295-M299 WeakPolarHBondContact O-CB 3.29Å; V295-M299 WeakPolarHBondContact O-CG 3.47Å; V295-M299 PolarHBondContact O-N 3.08Å; V296-M299 PolarHBondContact O-N 2.94Å; M299-W301 VanDerWaalsContact C-N 3.27Å; M299-W301 PolarHBondContact O-N 3.23Å; M299-V302 PolarHBondContact O-N 2.96Å; M299-F303 HydrophobicContact CE-CE2 3.73Å; M299-F303 HydrophobicContact CE-CZ 4.17Å; M299-F303 WeakPolarHBondContact O-CD2 3.25Å; M299-F303 PolarHBondContact O-N 2.97Å
300V93.4Very high93.2Very high90 Ų9042.5 Ų42.555%0.54523%0.225SC..Hα-helixtrans-57.2-43.5174.1170.20000110.7V296 V297 F303 Y304V296-V300 WeakPolarHBondContact O-CG2 3.45Å; V296-V300 PolarHBondContact O-N 3.03Å; V297-V300 PolarHBondContact O-N 3.41Å; V300-F303 PolarHBondContact O-N 3.25Å; V300-Y304 PolarHBondContact O-N 3.03Å
301W93.8Very high93.4Very high83 Ų8336.4 Ų36.431%0.31419%0.187SC..Hα-helixtrans-67.4-39.9177.4-153.1-100.2000113P171 M197 V297 S298 M299 F303 Y304 N305P171-W301 HydrophobicContact CB-CB 4.39Å; P171-W301 HydrophobicContact CG-CB 4.41Å; M197-W301 HydrophobicContact CE-CH2 3.85Å; M197-W301 HydrophobicContact CE-CZ3 3.88Å; M197-W301 HydrophobicContact SD-CH2 4Å; M197-W301 HydrophobicContact SD-CZ3 3.91Å; V297-W301 PolarHBondContact O-N 3.49Å; V297-W301 VanDerWaalsContact O-N 3.11Å; S298-W301 PolarHBondContact O-N 2.78Å; M299-W301 VanDerWaalsContact C-N 3.27Å; M299-W301 PolarHBondContact O-N 3.23Å; W301-F303 VanDerWaalsContact C-N 3.35Å; W301-Y304 WeakPolarHBondContact O-CB 3.36Å; W301-Y304 PolarHBondContact O-N 3.3Å; W301-N305 VanDerWaalsContact O-CG 3.31Å; W301-N305 PolarHBondContact O-N 2.88Å
302V96.2Very high93.5Very high0 Ų035.4 Ų35.40%018%0.183CC..Hα-helixtrans-62.5-41.5173.8171.30000111.2P171 L172 L175 N273 V277 S298 M299 Y304 N305 L306P171-V302 HydrophobicContact CB-CG2 3.75Å; P171-V302 HydrophobicContact CG-CG2 3.55Å; L172-V302 HydrophobicContact CD2-CG2 3.79Å; L175-V302 HydrophobicContact CD1-CG2 3.69Å; N273-V302 HydrophobicContact CB-CG1 4.02Å; N273-V302 WeakPolarHBondContact O-CG1 3.09Å; V277-V302 HydrophobicContact CG2-CG1 3.47Å; V277-V302 VanDerWaalsContact CG2-CG1 3.47Å; S298-V302 WeakPolarHBondContact O-CG2 3.34Å; S298-V302 PolarHBondContact O-N 2.85Å; M299-V302 PolarHBondContact O-N 2.96Å; V302-Y304 VanDerWaalsContact C-N 3.35Å; V302-Y304 PolarHBondContact O-N 3.28Å; V302-N305 WeakPolarHBondContact O-CB 3.21Å; V302-N305 PolarHBondContact O-N 2.89Å; V302-L306 HydrophobicContact CG1-CD1 4.22Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 2.93Å
303F94.5Very high93.4Very high80 Ų8032 Ų3235%0.35117%0.166SC..Hα-helixtrans-62.8-41.9174.4-80.4-64000111.9V277 M299 V300 W301 L306 I307 L471V277-F303 HydrophobicContact CG1-CZ 4.12Å; V277-F303 HydrophobicContact CG2-CE1 4.45Å; V277-F303 HydrophobicContact CG2-CZ 4.49Å; M299-F303 HydrophobicContact CE-CE2 3.73Å; M299-F303 HydrophobicContact CE-CZ 4.17Å; M299-F303 WeakPolarHBondContact O-CD2 3.25Å; M299-F303 PolarHBondContact O-N 2.97Å; V300-F303 PolarHBondContact O-N 3.25Å; W301-F303 VanDerWaalsContact C-N 3.35Å; F303-L306 HydrophobicContact CD1-CD1 4.32Å; F303-L306 WeakPolarHBondContact O-CB 3.39Å; F303-L306 PolarHBondContact O-N 3.06Å; F303-I307 WeakPolarHBondContact O-CD1 3Å; F303-I307 WeakPolarHBondContact O-CG1 3.48Å; F303-I307 PolarHBondContact O-N 3.29Å; F303-L471 HydrophobicContact CE1-CD2 4.24Å
304Y93.1Very high93.4Very high50 Ų5026.9 Ų26.920%0.19614%0.14CC..Hα-helixtrans-60-45.2172.7178.4-101.6000112V300 W301 V302 L306 I307 V308V300-Y304 PolarHBondContact O-N 3.03Å; W301-Y304 WeakPolarHBondContact O-CB 3.36Å; W301-Y304 PolarHBondContact O-N 3.3Å; V302-Y304 VanDerWaalsContact C-N 3.35Å; V302-Y304 PolarHBondContact O-N 3.28Å; Y304-L306 VanDerWaalsContact C-N 3.31Å; Y304-L306 PolarHBondContact O-N 2.96Å; Y304-I307 WeakPolarHBondContact O-CB 3.35Å; Y304-I307 PolarHBondContact O-N 3.13Å; Y304-I307 VanDerWaalsContact O-N 3.11Å; Y304-V308 HydrophobicContact CE1-CG2 4.04Å; Y304-V308 HydrophobicContact CE2-CG2 4.35Å; Y304-V308 PolarHBondContact O-N 3.43Å; Y304-V308 VanDerWaalsContact O-N 3.11Å
305N95.6Very high93.2Very high5 Ų525.3 Ų25.33%0.02713%0.13CC..Hα-helixtrans-58.6-42.4174.4-72.7-13.8000111.7F167 L168 W301 V302 I307 V308 L309F167-N305 PolarHBondContact O-ND2 3.06Å; F167-N305 VanDerWaalsContact O-ND2 3.07Å; L168-N305 WeakPolarHBondContact CA-ND2 3.5Å; L168-N305 HydrophobicContact CD2-CB 4.03Å; L168-N305 PolarHBondContact O-ND2 3.46Å; W301-N305 VanDerWaalsContact O-CG 3.31Å; W301-N305 PolarHBondContact O-N 2.88Å; V302-N305 WeakPolarHBondContact O-CB 3.21Å; V302-N305 PolarHBondContact O-N 2.89Å; N305-I307 VanDerWaalsContact C-N 3.32Å; N305-I307 PolarHBondContact O-N 2.96Å; N305-V308 PolarHBondContact O-N 2.92Å; N305-L309 VanDerWaalsContact O-CB 3.3Å; N305-L309 WeakPolarHBondContact O-CB 3.49Å; N305-L309 VanDerWaalsContact O-CG 3.26Å; N305-L309 WeakPolarHBondContact O-CG 3.42Å; N305-L309 PolarHBondContact O-N 2.92Å
306L94.9Very high92.9Very high13 Ų1325.1 Ų25.17%0.06813%0.129CC..Hα-helixtrans-62.6-37.8175.6-72.4168000111.7V270 N273 L274 V277 V302 F303 Y304 G310 Y450V270-L306 HydrophobicContact CG1-CD2 4.39Å; N273-L306 HydrophobicContact CB-CD2 3.71Å; N273-L306 HydrophobicContact CB-CG 4.03Å; L274-L306 HydrophobicContact CD2-CD1 3.7Å; L274-L306 HydrophobicContact CD2-CD2 3.76Å; L274-L306 HydrophobicContact CD2-CG 4.41Å; L274-L306 HydrophobicContact CG-CD2 4.04Å; V277-L306 HydrophobicContact CG2-CD1 3.75Å; V302-L306 HydrophobicContact CG1-CD1 4.22Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 2.93Å; F303-L306 HydrophobicContact CD1-CD1 4.32Å; F303-L306 WeakPolarHBondContact O-CB 3.39Å; F303-L306 PolarHBondContact O-N 3.06Å; Y304-L306 VanDerWaalsContact C-N 3.31Å; Y304-L306 PolarHBondContact O-N 2.96Å; L306-G310 PolarHBondContact O-N 3.46Å; L306-Y450 VanDerWaalsContact C-OH 3.3Å; L306-Y450 WeakPolarHBondContact CA-OH 3.44Å; L306-Y450 WeakPolarHBondContact O-CE2 3.41Å; L306-Y450 VanDerWaalsContact O-CZ 3.24Å; L306-Y450 PolarHBondContact O-OH 3.07Å
307I93.1Very high92.5Very high44 Ų4422.6 Ų22.623%0.22611%0.114CC..Hα-helixtrans-62.2-48.8175.9-68.8154.4000110.7F303 Y304 N305 G310 G311 I442 L443F303-I307 WeakPolarHBondContact O-CD1 3Å; F303-I307 WeakPolarHBondContact O-CG1 3.48Å; F303-I307 PolarHBondContact O-N 3.29Å; Y304-I307 WeakPolarHBondContact O-CB 3.35Å; Y304-I307 PolarHBondContact O-N 3.13Å; Y304-I307 VanDerWaalsContact O-N 3.11Å; N305-I307 VanDerWaalsContact C-N 3.32Å; N305-I307 PolarHBondContact O-N 2.96Å; I307-G310 PolarHBondContact O-N 3.49Å; I307-G311 PolarHBondContact O-N 3.43Å; I307-G311 VanDerWaalsContact O-N 3.08Å; I307-I442 HydrophobicContact CG2-CG2 3.87Å; I307-L443 HydrophobicContact CB-CD2 4.4Å; I307-L443 HydrophobicContact CD1-CD2 3.24Å; I307-L443 HydrophobicContact CG1-CD2 3.69Å; I307-L443 HydrophobicContact CG2-CD2 3.85Å; I307-L443 HydrophobicContact CG2-CG 4.39Å
308V93.6Very high92Very high3 Ų319.8 Ų19.82%0.01810%0.097CC..Hα-helixtrans-64.6-44.2-1801780000111.4E218 T222 Y304 N305 G310 G311 A312E218-V308 HydrophobicContact CB-CG1 4.19Å; E218-V308 HydrophobicContact CB-CG2 4.36Å; E218-V308 WeakPolarHBondContact O-CG1 3.46Å; T222-V308 HydrophobicContact CG2-CG1 4.26Å; T222-V308 WeakPolarHBondContact OG1-CG1 3.27Å; Y304-V308 HydrophobicContact CE1-CG2 4.04Å; Y304-V308 HydrophobicContact CE2-CG2 4.35Å; Y304-V308 PolarHBondContact O-N 3.43Å; Y304-V308 VanDerWaalsContact O-N 3.11Å; N305-V308 PolarHBondContact O-N 2.92Å; V308-G310 VanDerWaalsContact C-N 3.31Å; V308-G310 PolarHBondContact O-N 3.26Å; V308-G311 WeakPolarHBondContact O-CA 3.42Å; V308-G311 PolarHBondContact O-N 3.45Å; V308-A312 PolarHBondContact O-N 3.32Å
309L94.7Very high91.4Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-62.9-37.2175.8-75.4167.4000112L168 T222 L269 V270 N305 G311 A312 V313L168-L309 HydrophobicContact CD1-CD2 4.33Å; L168-L309 HydrophobicContact CD2-CD1 4.37Å; L168-L309 HydrophobicContact CD2-CD2 4.38Å; L168-L309 HydrophobicContact CD2-CG 4.08Å; T222-L309 HydrophobicContact CG2-CD2 3.9Å; L269-L309 HydrophobicContact CB-CD1 3.96Å; L269-L309 HydrophobicContact CB-CD2 3.74Å; L269-L309 HydrophobicContact CD1-CD2 4.09Å; V270-L309 HydrophobicContact CG2-CB 3.7Å; V270-L309 HydrophobicContact CG2-CD1 4.2Å; V270-L309 HydrophobicContact CG2-CG 4.43Å; N305-L309 VanDerWaalsContact O-CB 3.3Å; N305-L309 WeakPolarHBondContact O-CB 3.49Å; N305-L309 VanDerWaalsContact O-CG 3.26Å; N305-L309 WeakPolarHBondContact O-CG 3.42Å; N305-L309 PolarHBondContact O-N 2.92Å; L309-G311 VanDerWaalsContact C-N 3.27Å; L309-G311 PolarHBondContact O-N 2.82Å; L309-A312 PolarHBondContact O-N 3.46Å; L309-V313 WeakPolarHBondContact O-CG2 3.23Å; L309-V313 PolarHBondContact O-N 3.33Å
310G92.6Very high90.4Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-60-40.2171.700000111.5L306 I307 V308 V313 A314 G449 Y450L306-G310 PolarHBondContact O-N 3.46Å; I307-G310 PolarHBondContact O-N 3.49Å; V308-G310 VanDerWaalsContact C-N 3.31Å; V308-G310 PolarHBondContact O-N 3.26Å; G310-V313 PolarHBondContact O-N 2.8Å; G310-A314 WeakPolarHBondContact O-CB 3.42Å; G310-A314 PolarHBondContact O-N 2.95Å; G310-G449 WeakPolarHBondContact O-CA 3.21Å; G310-Y450 PolarHBondContact N-OH 2.88Å
311G92.3Very high89.4Confident0 Ų021.6 Ų21.60%010%0.098CC..Hα-helixtrans-62.9-44174.100000112.4I307 V308 L309 V313 A314 V315I307-G311 PolarHBondContact O-N 3.43Å; I307-G311 VanDerWaalsContact O-N 3.08Å; V308-G311 WeakPolarHBondContact O-CA 3.42Å; V308-G311 PolarHBondContact O-N 3.45Å; L309-G311 VanDerWaalsContact C-N 3.27Å; L309-G311 PolarHBondContact O-N 2.82Å; G311-V313 PolarHBondContact O-N 2.89Å; G311-A314 WeakPolarHBondContact O-CB 3.33Å; G311-A314 PolarHBondContact O-N 3.25Å; G311-V315 WeakPolarHBondContact O-CG2 3.5Å; G311-V315 PolarHBondContact O-N 3.26Å; G311-V315 VanDerWaalsContact O-N 3.08Å
312A92.5Very high88.1Confident0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-63.1-40.1175.600000112.5T222 V223 Y266 V308 L309 V315 S316T222-A312 HydrophobicContact CG2-CB 3.89Å; V223-A312 HydrophobicContact CG2-CB 3.56Å; Y266-A312 HydrophobicContact CD1-CB 4.46Å; Y266-A312 HydrophobicContact CD2-CB 4.49Å; Y266-A312 HydrophobicContact CG-CB 4.34Å; V308-A312 PolarHBondContact O-N 3.32Å; L309-A312 PolarHBondContact O-N 3.46Å; A312-V315 PolarHBondContact O-N 3.48Å; A312-S316 PolarHBondContact O-N 3.39Å
313V91Very high86.7Confident1 Ų129.3 Ų29.31%0.00614%0.139CC..Hα-helixtrans-63.2-42.2172.5169.70000110.8V270 L309 G310 G311 V315 S316 G449 L453V270-V313 HydrophobicContact CG2-CG2 4.45Å; L309-V313 WeakPolarHBondContact O-CG2 3.23Å; L309-V313 PolarHBondContact O-N 3.33Å; G310-V313 PolarHBondContact O-N 2.8Å; G311-V313 PolarHBondContact O-N 2.89Å; V313-V315 VanDerWaalsContact C-N 3.28Å; V313-V315 PolarHBondContact O-N 3.47Å; V313-S316 PolarHBondContact O-N 3.34Å; V313-S316 PolarHBondContact O-OG 3.44Å; V313-G449 WeakPolarHBondContact CG1-O 3.27Å; V313-L453 HydrophobicContact CG1-CB 3.86Å; V313-L453 HydrophobicContact CG1-CD1 4.24Å; V313-L453 HydrophobicContact CG1-CD2 3.92Å; V313-L453 HydrophobicContact CG1-CG 4.24Å; V313-L453 HydrophobicContact CG2-CD2 4.47Å
314A90.2Very high85.5Confident3 Ų335.3 Ų35.33%0.02516%0.159CC..Hα-helixtrans-58.6-40.5177.300000112.1L29 G310 G311 S316 V317 L445L29-A314 HydrophobicContact CD2-CB 3.73Å; G310-A314 WeakPolarHBondContact O-CB 3.42Å; G310-A314 PolarHBondContact O-N 2.95Å; G311-A314 WeakPolarHBondContact O-CB 3.33Å; G311-A314 PolarHBondContact O-N 3.25Å; A314-S316 VanDerWaalsContact C-N 3.26Å; A314-S316 PolarHBondContact O-N 2.92Å; A314-V317 PolarHBondContact O-N 3.28Å; A314-L445 HydrophobicContact CB-CD1 4.1Å; A314-L445 HydrophobicContact CB-CG 4.19Å
315V88.8Confident84.5Confident0 Ų035.1 Ų35.10%017%0.165CC..Hα-helixtrans-65.2-31.3176.11760000111.7F25 N28 L29 L114 I219 V223 G311 A312 V313 V317F25-V315 HydrophobicContact CD1-CB 4.29Å; F25-V315 HydrophobicContact CD1-CG1 3.67Å; F25-V315 HydrophobicContact CD1-CG2 3.6Å; F25-V315 HydrophobicContact CD2-CG1 4.43Å; F25-V315 HydrophobicContact CE1-CG1 3.86Å; F25-V315 HydrophobicContact CE1-CG2 4.1Å; F25-V315 HydrophobicContact CG-CG1 3.96Å; F25-V315 HydrophobicContact CG-CG2 4.39Å; F25-V315 HydrophobicContact CZ-CG1 4.33Å; N28-V315 PolarHBondContact ND2-O 3.2Å; L29-V315 HydrophobicContact CD1-CG2 3.63Å; L29-V315 HydrophobicContact CD2-CB 4.46Å; L29-V315 HydrophobicContact CD2-CG2 3.66Å; L29-V315 HydrophobicContact CG-CG2 3.85Å; L114-V315 HydrophobicContact CD1-CG1 3.81Å; L114-V315 HydrophobicContact CD2-CG1 4.11Å; I219-V315 HydrophobicContact CG2-CG2 4.12Å; V223-V315 HydrophobicContact CG2-CB 4.32Å; V223-V315 HydrophobicContact CG2-CG1 4.46Å; G311-V315 WeakPolarHBondContact O-CG2 3.5Å; G311-V315 PolarHBondContact O-N 3.26Å; G311-V315 VanDerWaalsContact O-N 3.08Å; A312-V315 PolarHBondContact O-N 3.48Å; V313-V315 VanDerWaalsContact C-N 3.28Å; V313-V315 PolarHBondContact O-N 3.47Å; V315-V317 PolarHBondContact O-N 3.45Å
316S86.9Confident83.8Confident0 Ų036.3 Ų36.30%017%0.171CC..THydrogen-bonded Turntrans-74.4-6.5179.273.90000115.5D259 S263 A312 V313 A314 E318D259-S316 PolarHBondContact N-O 3.18Å; S263-S316 WeakPolarHBondContact OG-CB 3.45Å; S263-S316 PolarHBondContact OG-OG 3.17Å; A312-S316 PolarHBondContact O-N 3.39Å; V313-S316 PolarHBondContact O-N 3.34Å; V313-S316 PolarHBondContact O-OG 3.44Å; A314-S316 VanDerWaalsContact C-N 3.26Å; A314-S316 PolarHBondContact O-N 2.92Å; S316-E318 PolarHBondContact O-N 2.97Å
317V84.9Confident83.3Confident7 Ų738.9 Ų38.94%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-85.3103.6170.6-172.20000107.6N28 V258 A314 V315 S319 H452 F456N28-V317 VanDerWaalsContact CB-O 3.24Å; N28-V317 WeakPolarHBondContact CB-O 3.26Å; N28-V317 PolarHBondContact ND2-O 2.88Å; V258-V317 HydrophobicContact CG2-CG1 4.43Å; V258-V317 HydrophobicContact CG2-CG2 4.17Å; A314-V317 PolarHBondContact O-N 3.28Å; V315-V317 PolarHBondContact O-N 3.45Å; V317-S319 PolarHBondContact O-N 3.44Å; V317-H452 HydrophobicContact CG2-CB 3.77Å; V317-F456 HydrophobicContact CG1-CE2 4.12Å
318E82.7Confident83Confident0 Ų036.8 Ų36.80%017%0.169CC..EExtended strand (participates in β ladder)trans-72.3121.3179.9-68.3-76.7-156.200109.9R27 N28 S113 L114 E256 Y257 S316R27-E318 IonicContact CZ-OE2 3.75Å; R27-E318 IonicContact NH2-OE2 3.27Å; R27-E318 PolarHBondContact NH2-OE2 2.84Å; N28-E318 PolarHBondContact ND2-OE2 3.06Å; N28-E318 PolarHBondContact OD1-OE2 3.08Å; S113-E318 WeakPolarHBondContact CA-OE1 3.33Å; S113-E318 WeakPolarHBondContact CB-OE1 3.29Å; L114-E318 WeakPolarHBondContact CB-OE1 3.44Å; L114-E318 PolarHBondContact N-OE1 3.48Å; E256-E318 VanDerWaalsContact CA-O 3.28Å; E256-E318 WeakPolarHBondContact CA-O 3.3Å; Y257-E318 HydrophobicContact CD1-CB 4.09Å; Y257-E318 HydrophobicContact CE1-CB 3.75Å; Y257-E318 HydrophobicContact CE1-CG 4.2Å; Y257-E318 HydrophobicContact CE2-CB 4.32Å; Y257-E318 HydrophobicContact CE2-CG 4.1Å; Y257-E318 PolarHBondContact N-O 3.23Å; Y257-E318 PolarHBondContact O-N 2.81Å; S316-E318 PolarHBondContact O-N 2.97Å
319S79.4Confident82.6Confident21 Ų2142.4 Ų42.415%0.14720%0.195CC..PPolyproline II helixtrans-84.9155.3178.462.40000112.1R27 N28 V317 Q321R27-S319 WeakPolarHBondContact CG-OG 3.28Å; R27-S319 PolarHBondContact O-OG 2.83Å; N28-S319 PolarHBondContact OD1-N 2.85Å; N28-S319 VanDerWaalsContact OD1-N 3.15Å; N28-S319 PolarHBondContact OD1-OG 3.33Å; V317-S319 PolarHBondContact O-N 3.44Å; S319-Q321 PolarHBondContact O-N 3.42Å
320K74.9Confident82.1Confident111 Ų11143.7 Ų43.748%0.48320%0.201SC..PPolyproline II helixtrans-62126.7-174.9-179.8173.2179.61360111.7E254 E256 V322E254-K320 WeakPolarHBondContact O-CD 3.42Å; E254-K320 WeakPolarHBondContact O-CE 3.14Å; E254-K320 WeakPolarHBondContact O-CG 3.32Å; E254-K320 PolarHBondContact O-NZ 3.39Å; E256-K320 HydrophobicContact CG-CB 4.09Å; K320-V322 HydrophobicContact CD-CG2 4.04Å; K320-V322 HydrophobicContact CG-CG2 3.88Å
321Q71.6Confident81.9Confident32 Ų3249 Ų4915%0.1523%0.234CC..  trans-106.794.5174.8-176.865.92800109.7V253 S319 R323 H326V253-Q321 HydrophobicContact CB-CB 4.14Å; V253-Q321 PolarHBondContact O-N 2.94Å; S319-Q321 PolarHBondContact O-N 3.42Å; Q321-R323 PolarHBondContact NE2-O 3.27Å; Q321-H326 PolarHBondContact NE2-CE1 2.93Å; Q321-H326 VanDerWaalsContact NE2-CE1 3.3Å
322V66Low81.8Confident113 Ų11349.5 Ų49.569%0.68524%0.236SC*.  trans-75.7-30.7-175.5-173.40000112.9K320K320-V322 HydrophobicContact CD-CG2 4.04Å; K320-V322 HydrophobicContact CG-CG2 3.88Å
323R66.7Low81.8Confident133 Ų13354.7 Ų54.750%0.50227%0.27SS..  trans-106.8133.4-172.9-64.2-179.3179176.5-1.7110.9Q321Q321-R323 PolarHBondContact NE2-O 3.27Å
324R69.3Low82Confident205 Ų20555.2 Ų55.277%0.77427%0.274SS*.SBendtrans-68.6-47.5171.7-70.3-174178.6-176.70.4112L252L252-R324 HydrophobicContact CD1-CG 3.58Å; L252-R324 VanDerWaalsContact CD1-NE 3.29Å; L252-R324 HydrophobicContact CD2-CB 4.42Å; L252-R324 HydrophobicContact CD2-CG 3.65Å; L252-R324 HydrophobicContact CG-CG 3.8Å
325S73.1Confident82.3Confident46 Ų4656.2 Ų56.232%0.32228%0.283SS..SBendtrans-98.4122.4179.6-51.10000109.5
326H80.2Confident82.5Confident31 Ų3156.2 Ų56.214%0.14428%0.283CS..PPolyproline II helixtrans-65.2140.2171.6-72.4-85.8000110F20 S21 L109 Q321 S352F20-H326 HydrophobicContact CD2-CB 3.94Å; F20-H326 HydrophobicContact CE2-CB 3.65Å; S21-H326 VanDerWaalsContact CB-CD2 3.44Å; S21-H326 WeakPolarHBondContact CB-CD2 3.46Å; S21-H326 WeakPolarHBondContact CB-ND1 3.43Å; L109-H326 HydrophobicContact CD2-CB 4.37Å; Q321-H326 PolarHBondContact NE2-CE1 2.93Å; Q321-H326 VanDerWaalsContact NE2-CE1 3.3Å; H326-S352 VanDerWaalsContact O-CB 3.25Å; H326-S352 WeakPolarHBondContact O-CB 3.25Å
327R85.9Confident82.9Confident67 Ų6757 Ų5725%0.25329%0.29SS..PPolyproline II helixtrans-100.8140.2178-56.1-146.8176.1178.6-10.4110.4D350 F351R327-D350 HydrophobicContact CB-CB 4.26Å; R327-D350 WeakPolarHBondContact CD-OD1 3.43Å; R327-D350 IonicContact CZ-OD1 3.78Å; R327-D350 IonicContact NE-OD1 3.18Å; R327-D350 IonicContact NH1-OD1 3.45Å; R327-D350 PolarHBondContact NH1-OD1 3.48Å; R327-D350 IonicContact NH1-OD2 2.69Å; R327-F351 CarbonylContact C-O 3.43Å; R327-F351 WeakPolarHBondContact CA-O 3.29Å
328V86.1Confident83.1Confident0 Ų059.3 Ų59.30%030%0.297CS..EExtended strand (participates in β ladder)trans-98.5115.5174.8-177.80000106.7F20 M330 D350 F351 F417 T422 W423 W426F20-V328 HydrophobicContact CB-CG2 4.2Å; F20-V328 HydrophobicContact CD2-CG2 3.69Å; F20-V328 HydrophobicContact CE2-CG2 4.22Å; F20-V328 HydrophobicContact CG-CG2 4Å; V328-M330 PolarHBondContact O-N 3.44Å; V328-D350 CarbonylContact O-C 3.54Å; V328-D350 WeakPolarHBondContact O-CA 3.48Å; V328-F351 HydrophobicContact CB-CD1 4.29Å; V328-F351 HydrophobicContact CB-CD2 4.22Å; V328-F351 HydrophobicContact CB-CE1 3.87Å; V328-F351 HydrophobicContact CB-CE2 3.77Å; V328-F351 HydrophobicContact CB-CG 4.46Å; V328-F351 HydrophobicContact CB-CZ 3.6Å; V328-F351 HydrophobicContact CG1-CE1 3.8Å; V328-F351 HydrophobicContact CG1-CE2 4.24Å; V328-F351 HydrophobicContact CG1-CZ 3.58Å; V328-F351 HydrophobicContact CG2-CD2 4.45Å; V328-F351 HydrophobicContact CG2-CE2 3.85Å; V328-F351 HydrophobicContact CG2-CZ 4.06Å; V328-F351 PolarHBondContact N-O 2.89Å; V328-F351 PolarHBondContact O-N 3.33Å; V328-F417 HydrophobicContact CG2-CE1 4Å; V328-T422 HydrophobicContact CG1-CG2 3.74Å; V328-W423 HydrophobicContact CG1-CH2 3.88Å; V328-W423 HydrophobicContact CG1-CZ3 3.84Å; V328-W423 HydrophobicContact CG2-CH2 3.78Å; V328-W423 HydrophobicContact CG2-CZ3 4.25Å; V328-W426 HydrophobicContact CG1-CZ2 3.84Å
329E85.5Confident83.3Confident120 Ų12066 Ų6656%0.56133%0.329SS*.EExtended strand (participates in β ladder)trans-72126172-64.8175-166.700109.7R33 Q349R33-E329 IonicContact CZ-OE2 3.02Å; R33-E329 IonicContact NH1-OE1 3.59Å; R33-E329 IonicContact NH1-OE2 3.2Å; R33-E329 PolarHBondContact NH1-OE2 3.11Å; E329-Q349 WeakPolarHBondContact CA-O 3.42Å
330M84.3Confident83.6Confident28 Ų2869 Ų6914%0.13834%0.343CS..EExtended strand (participates in β ladder)trans-160.5132.6-180179.966.2178.600108.8V328 V348 Q349 F351 D421V328-M330 PolarHBondContact O-N 3.44Å; M330-V348 CarbonylContact O-C 3.43Å; M330-Q349 CarbonylContact C-O 3.57Å; M330-Q349 PolarHBondContact N-O 2.9Å; M330-Q349 CarbonylContact O-C 3.21Å; M330-Q349 VanDerWaalsContact O-C 3.23Å; M330-Q349 WeakPolarHBondContact O-CA 3.32Å; M330-Q349 VanDerWaalsContact O-O 3.09Å; M330-F351 HydrophobicContact CB-CD1 4.22Å; M330-F351 HydrophobicContact CB-CE1 3.81Å; M330-F351 HydrophobicContact CG-CE1 4.38Å; M330-D421 WeakPolarHBondContact CE-OD2 3.33Å
331T87.7Confident84Confident112 Ų11266.3 Ų66.369%0.68735%0.347SS*.EExtended strand (participates in β ladder)trans-90.5111172.5-55.70000109.1T347 V348T331-T347 HydrophobicContact CG2-CG2 3.48Å; T331-T347 VanDerWaalsContact CG2-CG2 3.48Å; T331-V348 VanDerWaalsContact CA-O 3.3Å; T331-V348 WeakPolarHBondContact CA-O 3.23Å
332M90.1Very high84.9Confident9 Ų970.3 Ų70.34%0.04437%0.366CS..EExtended strand (participates in β ladder)trans-140.9144.1173.864.4175.5-178.600112.8T347 V348 F351 L376 T416M332-T347 CarbonylContact O-C 3.33Å; M332-T347 WeakPolarHBondContact O-CA 3.28Å; M332-V348 HydrophobicContact CE-CB 3.98Å; M332-V348 HydrophobicContact CE-CG1 3.83Å; M332-V348 HydrophobicContact CE-CG2 3.92Å; M332-V348 HydrophobicContact CG-CB 3.67Å; M332-V348 HydrophobicContact CG-CG1 4.23Å; M332-V348 HydrophobicContact CG-CG2 4.18Å; M332-V348 PolarHBondContact N-O 2.87Å; M332-V348 VanDerWaalsContact N-O 3.11Å; M332-V348 PolarHBondContact O-N 2.89Å; M332-F351 HydrophobicContact CE-CD1 4.42Å; M332-L376 HydrophobicContact CE-CD1 4.18Å; M332-L376 HydrophobicContact CE-CD2 3.9Å; M332-T416 HydrophobicContact CE-CG2 4.03Å
333P93Very high86.1Confident110 Ų11070.3 Ų70.371%0.71436%0.361SS*.EExtended strand (participates in β ladder)trans-68.1138.9177.828.6-34.6000110.9
334A95.2Very high87.4Confident11 Ų1165.9 Ų65.99%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-145.6174.9175.900000110C346 V348 L374 L375 L376A334-C346 CarbonylContact C-O 3.57Å; A334-C346 PolarHBondContact N-O 3.43Å; A334-C346 PolarHBondContact O-N 3.4Å; A334-V348 HydrophobicContact CB-CG2 3.74Å; A334-L374 HydrophobicContact CB-CD1 4.07Å; A334-L375 WeakPolarHBondContact CA-O 3.4Å; A334-L376 HydrophobicContact CB-CD2 3.73Å
335A94.9Very high88.6Confident24 Ų2459.4 Ų59.420%0.19833%0.332CS..EExtended strand (participates in β ladder)trans-137157.7165.600000109.7F344 L375A335-F344 CarbonylContact C-O 3.5Å; A335-F344 VanDerWaalsContact CA-O 3.24Å; A335-F344 WeakPolarHBondContact CA-O 3.36Å; A335-L375 HydrophobicContact CB-CB 4.24Å; A335-L375 PolarHBondContact N-O 2.89Å; A335-L375 VanDerWaalsContact N-O 3.1Å; A335-L375 PolarHBondContact O-N 3.44Å
336I94.7Very high89.6Confident0 Ų057.2 Ų57.20%032%0.317CS..EExtended strand (participates in β ladder)trans-119.5131.4171.452.2176.3000109.1L343 F344 I358 I360 I366 N373 L374 L399I336-L343 WeakPolarHBondContact O-CA 3.49Å; I336-F344 HydrophobicContact CD1-CB 4.28Å; I336-F344 HydrophobicContact CG1-CB 3.83Å; I336-F344 HydrophobicContact CG1-CD2 4.37Å; I336-F344 PolarHBondContact N-O 3.29Å; I336-F344 PolarHBondContact O-N 3.23Å; I336-I358 HydrophobicContact CD1-CD1 4.04Å; I336-I358 HydrophobicContact CG2-CD1 3.68Å; I336-I360 HydrophobicContact CD1-CD1 3.78Å; I336-I360 HydrophobicContact CD1-CG1 4.06Å; I336-I366 HydrophobicContact CD1-CD1 3.17Å; I336-I366 HydrophobicContact CG1-CD1 4.45Å; I336-N373 CarbonylContact C-O 3.55Å; I336-N373 WeakPolarHBondContact CA-O 3.36Å; I336-L374 HydrophobicContact CG2-CD1 4.13Å; I336-L399 HydrophobicContact CG2-CD1 4.2Å
337A93.7Very high90.3Very high18 Ų1857.5 Ų57.515%0.14932%0.321CS..EExtended strand (participates in β ladder)trans-101.7121.8170.400000109H342 L343 V372 N373 L375A337-H342 WeakPolarHBondContact CA-O 3.29Å; A337-L343 HydrophobicContact CB-CD2 3.64Å; A337-V372 WeakPolarHBondContact O-CA 3.26Å; A337-N373 HydrophobicContact CB-CB 4.13Å; A337-N373 PolarHBondContact N-O 2.73Å; A337-N373 PolarHBondContact O-N 3.47Å; A337-L375 HydrophobicContact CB-CD1 3.78Å
338R90.5Very high90.8Very high54 Ų5454.3 Ų54.320%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-74.2162.7168.2-78.5176.858.1175.8-12.7110.2D340 G341 H342 F344 Q365 V372R338-D340 WeakPolarHBondContact CB-OD1 3.44Å; R338-D340 IonicContact CZ-OD2 2.72Å; R338-D340 IonicContact NE-OD1 3.58Å; R338-D340 IonicContact NE-OD2 3.51Å; R338-D340 PolarHBondContact NE-OD2 3.32Å; R338-D340 IonicContact NH1-OD2 2.92Å; R338-D340 IonicContact NH2-OD2 3.51Å; R338-D340 PolarHBondContact NH2-OD2 3.33Å; R338-D340 PolarHBondContact O-N 3.37Å; R338-G341 PolarHBondContact O-N 3.5Å; R338-H342 PolarHBondContact N-O 3.08Å; R338-F344 VanDerWaalsContact CD-CE2 3.47Å; R338-F344 HydrophobicContact CG-CD2 4.5Å; R338-F344 HydrophobicContact CG-CE2 4Å; R338-Q365 PolarHBondContact NH1-O 3.24Å; R338-V372 HydrophobicContact CG-CG1 4.32Å
339E86.3Confident91.1Very high142 Ų14257.3 Ų57.366%0.66432%0.323SS*.THydrogen-bonded Turntrans-62.3-21.9175.4-69.9-178.2151.100113.2G341 K371E339-G341 PolarHBondContact O-N 3Å; E339-K371 HydrophobicContact CG-CB 4.5Å; E339-K371 WeakPolarHBondContact OE1-CB 3.42Å
340D85.2Confident91.4Very high82 Ų8253 Ų5344%0.43930%0.303SS..THydrogen-bonded Turntrans-80.81.117458.918000114R338 H342R338-D340 WeakPolarHBondContact CB-OD1 3.44Å; R338-D340 IonicContact CZ-OD2 2.72Å; R338-D340 IonicContact NE-OD1 3.58Å; R338-D340 IonicContact NE-OD2 3.51Å; R338-D340 PolarHBondContact NE-OD2 3.32Å; R338-D340 IonicContact NH1-OD2 2.92Å; R338-D340 IonicContact NH2-OD2 3.51Å; R338-D340 PolarHBondContact NH2-OD2 3.33Å; R338-D340 PolarHBondContact O-N 3.37Å; D340-H342 VanDerWaalsContact C-N 3.35Å; D340-H342 WeakPolarHBondContact OD1-CB 3.02Å; D340-H342 IonicContact OD1-CD2 2.7Å; D340-H342 PolarHBondContact OD1-CD2 3.47Å; D340-H342 IonicContact OD1-CG 3.49Å; D340-H342 PolarHBondContact OD1-N 3.2Å; D340-H342 IonicContact OD2-CD2 3.62Å
341G84.5Confident91.8Very high56 Ų5651.7 Ų51.758%0.57730%0.297SS*.SBendtrans86.1-3.2179.100000114.8R338 E339 L343R338-G341 PolarHBondContact O-N 3.5Å; E339-G341 PolarHBondContact O-N 3Å; G341-L343 PolarHBondContact O-N 3.11Å
342H90.1Very high92.1Very high116 Ų11646.5 Ų46.554%0.53727%0.265SS..  trans-71.1130175.2-72.9-66.2000111.5A337 R338 D340 F344A337-H342 WeakPolarHBondContact CA-O 3.29Å; R338-H342 PolarHBondContact N-O 3.08Å; D340-H342 VanDerWaalsContact C-N 3.35Å; D340-H342 WeakPolarHBondContact OD1-CB 3.02Å; D340-H342 IonicContact OD1-CD2 2.7Å; D340-H342 PolarHBondContact OD1-CD2 3.47Å; D340-H342 IonicContact OD1-CG 3.49Å; D340-H342 PolarHBondContact OD1-N 3.2Å; D340-H342 IonicContact OD2-CD2 3.62Å; H342-F344 HydrophobicContact CB-CE2 3.57Å; H342-F344 HydrophobicContact CB-CZ 3.8Å
343L92Very high92Very high113 Ų11350.6 Ų50.659%0.59229%0.287SS*.EExtended strand (participates in β ladder)trans-100.9129.2176.4-76165.4000110.4I336 A337 G341 L375I336-L343 WeakPolarHBondContact O-CA 3.49Å; A337-L343 HydrophobicContact CB-CD2 3.64Å; G341-L343 PolarHBondContact O-N 3.11Å; L343-L375 HydrophobicContact CD2-CD1 3.96Å; L343-L375 HydrophobicContact CD2-CD2 4.26Å
344F92.3Very high91.9Very high40 Ų4047 Ų4718%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-117.9130.8173.5-54.9-92.2000109.4A335 I336 R338 H342 I360 A364A335-F344 CarbonylContact C-O 3.5Å; A335-F344 VanDerWaalsContact CA-O 3.24Å; A335-F344 WeakPolarHBondContact CA-O 3.36Å; I336-F344 HydrophobicContact CD1-CB 4.28Å; I336-F344 HydrophobicContact CG1-CB 3.83Å; I336-F344 HydrophobicContact CG1-CD2 4.37Å; I336-F344 PolarHBondContact N-O 3.29Å; I336-F344 PolarHBondContact O-N 3.23Å; R338-F344 VanDerWaalsContact CD-CE2 3.47Å; R338-F344 HydrophobicContact CG-CD2 4.5Å; R338-F344 HydrophobicContact CG-CE2 4Å; H342-F344 HydrophobicContact CB-CE2 3.57Å; H342-F344 HydrophobicContact CB-CZ 3.8Å; F344-I360 HydrophobicContact CB-CG2 4.23Å; F344-A364 HydrophobicContact CB-CB 4.45Å; F344-A364 HydrophobicContact CD1-CB 3.38Å; F344-A364 HydrophobicContact CD2-CB 4.43Å; F344-A364 HydrophobicContact CE1-CB 3.63Å; F344-A364 HydrophobicContact CG-CB 3.81Å; F344-A364 HydrophobicContact CZ-CB 4.29Å
345S94.3Very high91.8Very high69 Ų6946.5 Ų46.548%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-68.3136.3169.9178.80000109.3N361S345-N361 WeakPolarHBondContact O-CB 3.4Å; S345-N361 PolarHBondContact O-N 2.94Å; S345-N361 PolarHBondContact OG-ND2 2.86Å
346C94.7Very high91.8Very high0 Ų045.4 Ų45.40%026%0.257CS..EExtended strand (participates in β ladder)trans-144.9164.7174.962.80000110.9A334 I358 K359 I360A334-C346 CarbonylContact C-O 3.57Å; A334-C346 PolarHBondContact N-O 3.43Å; A334-C346 PolarHBondContact O-N 3.4Å; C346-I358 HydrophobicContact CB-CB 4.43Å; C346-I358 HydrophobicContact CB-CD1 4.11Å; C346-K359 CarbonylContact C-O 3.46Å; C346-K359 VanDerWaalsContact CA-O 3.24Å; C346-K359 WeakPolarHBondContact CA-O 3.46Å; C346-K359 WeakPolarHBondContact CB-O 3.35Å; C346-I360 HydrophobicContact CB-CG1 4.29Å
347T95.7Very high91.9Very high37 Ų3745.7 Ų45.723%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-116.3121.9174.6-57.40000107.9T331 M332 Q349 I358 K359T331-T347 HydrophobicContact CG2-CG2 3.48Å; T331-T347 VanDerWaalsContact CG2-CG2 3.48Å; M332-T347 CarbonylContact O-C 3.33Å; M332-T347 WeakPolarHBondContact O-CA 3.28Å; T347-Q349 PolarHBondContact O-N 3.16Å; T347-I358 CarbonylContact O-C 3.58Å; T347-I358 WeakPolarHBondContact O-CA 3.39Å; T347-K359 PolarHBondContact N-O 3.24Å; T347-K359 PolarHBondContact O-N 3.27Å
348V94.9Very high92Very high0 Ų044.8 Ų44.80%025%0.253CS..EExtended strand (participates in β ladder)trans-66.7130.5168.3175.80000107.4M330 T331 M332 A334 D350 L356 I358 L376M330-V348 CarbonylContact O-C 3.43Å; T331-V348 VanDerWaalsContact CA-O 3.3Å; T331-V348 WeakPolarHBondContact CA-O 3.23Å; M332-V348 HydrophobicContact CE-CB 3.98Å; M332-V348 HydrophobicContact CE-CG1 3.83Å; M332-V348 HydrophobicContact CE-CG2 3.92Å; M332-V348 HydrophobicContact CG-CB 3.67Å; M332-V348 HydrophobicContact CG-CG1 4.23Å; M332-V348 HydrophobicContact CG-CG2 4.18Å; M332-V348 PolarHBondContact N-O 2.87Å; M332-V348 VanDerWaalsContact N-O 3.11Å; M332-V348 PolarHBondContact O-N 2.89Å; A334-V348 HydrophobicContact CB-CG2 3.74Å; V348-D350 WeakPolarHBondContact CG1-O 3.24Å; V348-L356 HydrophobicContact CG1-CD2 4.07Å; V348-L356 HydrophobicContact CG2-CD2 4.08Å; V348-I358 HydrophobicContact CB-CG2 4.49Å; V348-I358 HydrophobicContact CG2-CG2 3.87Å; V348-L376 HydrophobicContact CG2-CD2 4.16Å
349Q93.1Very high92.2Very high63 Ų6346.9 Ų46.929%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-102.4-35.6175.4-68.6175.9-38.600110.9E329 M330 T347 G357 K359 E396E329-Q349 WeakPolarHBondContact CA-O 3.42Å; M330-Q349 CarbonylContact C-O 3.57Å; M330-Q349 PolarHBondContact N-O 2.9Å; M330-Q349 CarbonylContact O-C 3.21Å; M330-Q349 VanDerWaalsContact O-C 3.23Å; M330-Q349 WeakPolarHBondContact O-CA 3.32Å; M330-Q349 VanDerWaalsContact O-O 3.09Å; T347-Q349 PolarHBondContact O-N 3.16Å; Q349-G357 PolarHBondContact N-O 3.45Å; Q349-K359 HydrophobicContact CG-CB 4.21Å; Q349-E396 PolarHBondContact NE2-OE1 3.39Å; Q349-E396 VanDerWaalsContact NE2-OE1 3.14Å
350D92.4Very high92.6Very high29 Ų2940.4 Ų40.416%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-149.5157.2175.670.353.9000111.9R327 V328 V348 L356 G357R327-D350 HydrophobicContact CB-CB 4.26Å; R327-D350 WeakPolarHBondContact CD-OD1 3.43Å; R327-D350 IonicContact CZ-OD1 3.78Å; R327-D350 IonicContact NE-OD1 3.18Å; R327-D350 IonicContact NH1-OD1 3.45Å; R327-D350 PolarHBondContact NH1-OD1 3.48Å; R327-D350 IonicContact NH1-OD2 2.69Å; V328-D350 CarbonylContact O-C 3.54Å; V328-D350 WeakPolarHBondContact O-CA 3.48Å; V348-D350 WeakPolarHBondContact CG1-O 3.24Å; D350-L356 CarbonylContact O-C 3.58Å; D350-L356 WeakPolarHBondContact O-CA 3.35Å; D350-G357 PolarHBondContact N-O 2.99Å; D350-G357 PolarHBondContact O-N 2.9Å; D350-G357 WeakPolarHBondContact OD1-CA 3.47Å; D350-G357 PolarHBondContact OD1-N 2.67Å
351F93.3Very high92.7Very high0 Ų040.5 Ų40.50%023%0.234CC..EExtended strand (participates in β ladder)trans-143.5158.8174.466.9-95.1000112.3R327 V328 M330 M332 G355 L356 T416 F417 T422R327-F351 CarbonylContact C-O 3.43Å; R327-F351 WeakPolarHBondContact CA-O 3.29Å; V328-F351 HydrophobicContact CB-CD1 4.29Å; V328-F351 HydrophobicContact CB-CD2 4.22Å; V328-F351 HydrophobicContact CB-CE1 3.87Å; V328-F351 HydrophobicContact CB-CE2 3.77Å; V328-F351 HydrophobicContact CB-CG 4.46Å; V328-F351 HydrophobicContact CB-CZ 3.6Å; V328-F351 HydrophobicContact CG1-CE1 3.8Å; V328-F351 HydrophobicContact CG1-CE2 4.24Å; V328-F351 HydrophobicContact CG1-CZ 3.58Å; V328-F351 HydrophobicContact CG2-CD2 4.45Å; V328-F351 HydrophobicContact CG2-CE2 3.85Å; V328-F351 HydrophobicContact CG2-CZ 4.06Å; V328-F351 PolarHBondContact N-O 2.89Å; V328-F351 PolarHBondContact O-N 3.33Å; M330-F351 HydrophobicContact CB-CD1 4.22Å; M330-F351 HydrophobicContact CB-CE1 3.81Å; M330-F351 HydrophobicContact CG-CE1 4.38Å; M332-F351 HydrophobicContact CE-CD1 4.42Å; F351-G355 CarbonylContact C-O 3.51Å; F351-L356 HydrophobicContact CB-CD2 3.89Å; F351-L356 HydrophobicContact CB-CG 3.89Å; F351-T416 HydrophobicContact CD2-CG2 4.02Å; F351-T416 HydrophobicContact CE2-CG2 4.35Å; F351-T416 HydrophobicContact CG-CG2 4.11Å; F351-F417 HydrophobicContact CD2-CE1 4.37Å; F351-F417 HydrophobicContact CD2-CE2 4.08Å; F351-F417 AromaticContact CD2-CZ 3.99Å; F351-F417 HydrophobicContact CD2-CZ 3.99Å; F351-F417 AromaticContact CE2-CD1 3.89Å; F351-F417 HydrophobicContact CE2-CD1 3.89Å; F351-F417 HydrophobicContact CE2-CD2 4.07Å; F351-F417 AromaticContact CE2-CE1 3.79Å; F351-F417 HydrophobicContact CE2-CE1 3.79Å; F351-F417 AromaticContact CE2-CE2 3.97Å; F351-F417 HydrophobicContact CE2-CE2 3.97Å; F351-F417 HydrophobicContact CE2-CG 4.03Å; F351-F417 AromaticContact CE2-CZ 3.83Å; F351-F417 HydrophobicContact CE2-CZ 3.83Å; F351-T422 HydrophobicContact CE1-CG2 4.44Å; F351-T422 HydrophobicContact CZ-CG2 4.02Å
352S92.6Very high92.7Very high4 Ų440 Ų403%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-150.1172.1173.461.20000109.3H326 G354 G355H326-S352 VanDerWaalsContact O-CB 3.25Å; H326-S352 WeakPolarHBondContact O-CB 3.25Å; S352-G354 PolarHBondContact O-N 2.92Å; S352-G354 VanDerWaalsContact O-N 3.14Å; S352-G354 PolarHBondContact OG-N 3.25Å; S352-G355 PolarHBondContact N-O 2.69Å; S352-G355 PolarHBondContact O-N 2.62Å; S352-G355 PolarHBondContact OG-N 3.23Å; S352-G355 PolarHBondContact OG-O 3.01Å
353D88.4Confident92Very high94 Ų9443.9 Ų43.950%0.50325%0.247SC..THydrogen-bonded Turntrans-58.9-23.3173-167.737.6000113.2L401 H409D353-L401 WeakPolarHBondContact O-CD1 3.22Å; D353-H409 IonicContact OD1-NE2 2.74Å
354G90.2Very high91.2Very high35 Ų3539.8 Ų39.836%0.36123%0.23SC..THydrogen-bonded Turntrans-99.9-10-17900000116S352 L401S352-G354 PolarHBondContact O-N 2.92Å; S352-G354 VanDerWaalsContact O-N 3.14Å; S352-G354 PolarHBondContact OG-N 3.25Å; G354-L401 PolarHBondContact O-N 3.12Å
355G93.2Very high90.6Very high1 Ų145.8 Ų45.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans162.4175.4-170.100000114.7F351 S352 L399F351-G355 CarbonylContact C-O 3.51Å; S352-G355 PolarHBondContact N-O 2.69Å; S352-G355 PolarHBondContact O-N 2.62Å; S352-G355 PolarHBondContact OG-N 3.23Å; S352-G355 PolarHBondContact OG-O 3.01Å; G355-L399 CarbonylContact C-O 3.42Å; G355-L399 WeakPolarHBondContact CA-O 3.32Å
356L95.6Very high90.1Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-132.8152.3-173.8-56.389.7000111.7V348 D350 F351 I358 L374 L399 L401 F412V348-L356 HydrophobicContact CG1-CD2 4.07Å; V348-L356 HydrophobicContact CG2-CD2 4.08Å; D350-L356 CarbonylContact O-C 3.58Å; D350-L356 WeakPolarHBondContact O-CA 3.35Å; F351-L356 HydrophobicContact CB-CD2 3.89Å; F351-L356 HydrophobicContact CB-CG 3.89Å; L356-I358 HydrophobicContact CB-CG2 4.44Å; L356-L374 HydrophobicContact CD1-CD2 3.63Å; L356-L374 HydrophobicContact CD2-CD2 3.53Å; L356-L374 HydrophobicContact CG-CD2 4.17Å; L356-L399 PolarHBondContact N-O 2.71Å; L356-L399 PolarHBondContact O-N 2.96Å; L356-L401 HydrophobicContact CD1-CD1 4.34Å; L356-L401 HydrophobicContact CD1-CD2 4.05Å; L356-L401 HydrophobicContact CD1-CG 4.07Å; L356-F412 HydrophobicContact CD1-CE2 3.96Å; L356-F412 HydrophobicContact CD1-CZ 4.1Å; L356-F412 HydrophobicContact CD2-CE2 4.24Å; L356-F412 HydrophobicContact CG-CE2 4.45Å; L356-F412 HydrophobicContact CG-CZ 4.4Å
357G95.7Very high89.8Confident6 Ų649.3 Ų49.36%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-102.6125.616300000109.2Q349 D350Q349-G357 PolarHBondContact N-O 3.45Å; D350-G357 PolarHBondContact N-O 2.99Å; D350-G357 PolarHBondContact O-N 2.9Å; D350-G357 WeakPolarHBondContact OD1-CA 3.47Å; D350-G357 PolarHBondContact OD1-N 2.67Å
358I96.1Very high89.6Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-124.615317967.1166.4000110.9I336 C346 T347 V348 L356 I360 E396 V397 L399I336-I358 HydrophobicContact CD1-CD1 4.04Å; I336-I358 HydrophobicContact CG2-CD1 3.68Å; C346-I358 HydrophobicContact CB-CB 4.43Å; C346-I358 HydrophobicContact CB-CD1 4.11Å; T347-I358 CarbonylContact O-C 3.58Å; T347-I358 WeakPolarHBondContact O-CA 3.39Å; V348-I358 HydrophobicContact CB-CG2 4.49Å; V348-I358 HydrophobicContact CG2-CG2 3.87Å; L356-I358 HydrophobicContact CB-CG2 4.44Å; I358-I360 HydrophobicContact CD1-CG1 4.27Å; I358-E396 CarbonylContact O-C 3.38Å; I358-E396 WeakPolarHBondContact O-CA 3.28Å; I358-V397 HydrophobicContact CD1-CB 4.34Å; I358-V397 HydrophobicContact CG1-CB 3.85Å; I358-V397 WeakPolarHBondContact CG1-O 3.49Å; I358-V397 PolarHBondContact N-O 2.87Å; I358-V397 PolarHBondContact O-N 3.25Å; I358-L399 HydrophobicContact CD1-CD1 3.8Å; I358-L399 HydrophobicContact CD1-CG 4.21Å; I358-L399 HydrophobicContact CG1-CD1 4.27Å; I358-L399 HydrophobicContact CG1-CG 4.35Å; I358-L399 HydrophobicContact CG2-CD1 4.16Å
359K95.5Very high89.4Confident97 Ų9755.1 Ų55.142%0.42231%0.306SS..EExtended strand (participates in β ladder)trans-115.3120.9168.7-176.8173.6-179.7174.50109.4C346 T347 Q349 N395C346-K359 CarbonylContact C-O 3.46Å; C346-K359 VanDerWaalsContact CA-O 3.24Å; C346-K359 WeakPolarHBondContact CA-O 3.46Å; C346-K359 WeakPolarHBondContact CB-O 3.35Å; T347-K359 PolarHBondContact N-O 3.24Å; T347-K359 PolarHBondContact O-N 3.27Å; Q349-K359 HydrophobicContact CG-CB 4.21Å; K359-N395 CarbonylContact C-O 3.54Å; K359-N395 WeakPolarHBondContact CA-O 3.3Å
360I93.7Very high89.3Confident7 Ų754.1 Ų54.14%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-81.3136-177.9-59.7171.1000109.9I336 F344 C346 I358 A364 I366 N395 V397I336-I360 HydrophobicContact CD1-CD1 3.78Å; I336-I360 HydrophobicContact CD1-CG1 4.06Å; F344-I360 HydrophobicContact CB-CG2 4.23Å; C346-I360 HydrophobicContact CB-CG1 4.29Å; I358-I360 HydrophobicContact CD1-CG1 4.27Å; I360-A364 HydrophobicContact CD1-CB 4.14Å; I360-A364 HydrophobicContact CG2-CB 3.71Å; I360-I366 HydrophobicContact CD1-CD1 3.45Å; I360-I366 VanDerWaalsContact CD1-CD1 3.45Å; I360-I366 HydrophobicContact CD1-CG1 4.24Å; I360-N395 PolarHBondContact N-O 3.11Å; I360-V397 HydrophobicContact CD1-CG2 3.63Å; I360-V397 HydrophobicContact CG1-CG2 4.3Å
361N89.3Confident89.4Confident83 Ų8358 Ų5844%0.44432%0.317SS..SBendtrans-87.2109.2175.1-61.3-32.8000108.6S345S345-N361 WeakPolarHBondContact O-CB 3.4Å; S345-N361 PolarHBondContact O-N 2.94Å; S345-N361 PolarHBondContact OG-ND2 2.86Å
362G83.3Confident89.5Confident47 Ų4758.1 Ų58.149%0.48532%0.318SS..SBendtrans99-164.2179.200000114.1
363Q76.4Confident89.6Confident196 Ų19661.2 Ų61.292%0.91633%0.334SS*.  trans-93.1107.8178.1-67.8-177.2-6.500109.5
364A74.4Confident90Very high27 Ų2756.8 Ų56.822%0.22331%0.31CS..  trans-118.4126.9169.900000109.1F344 I360 I366F344-A364 HydrophobicContact CB-CB 4.45Å; F344-A364 HydrophobicContact CD1-CB 3.38Å; F344-A364 HydrophobicContact CD2-CB 4.43Å; F344-A364 HydrophobicContact CE1-CB 3.63Å; F344-A364 HydrophobicContact CG-CB 3.81Å; F344-A364 HydrophobicContact CZ-CB 4.29Å; I360-A364 HydrophobicContact CD1-CB 4.14Å; I360-A364 HydrophobicContact CG2-CB 3.71Å; A364-I366 HydrophobicContact CB-CD1 4.31Å; A364-I366 HydrophobicContact CB-CG1 4.11Å; A364-I366 PolarHBondContact O-N 3.34Å
365Q79.8Confident90.3Very high166 Ų16656.4 Ų56.478%0.77630%0.3SS*.  trans-81.9104.7169.4-68.3-174.4-5.400108.2R338R338-Q365 PolarHBondContact NH1-O 3.24Å
366I84.8Confident90.4Very high14 Ų1456.6 Ų56.67%0.07230%0.3CS..  trans-126.9133.5176.2-58.9-166.9000108.2I336 I360 A364 V389I336-I366 HydrophobicContact CD1-CD1 3.17Å; I336-I366 HydrophobicContact CG1-CD1 4.45Å; I360-I366 HydrophobicContact CD1-CD1 3.45Å; I360-I366 VanDerWaalsContact CD1-CD1 3.45Å; I360-I366 HydrophobicContact CD1-CG1 4.24Å; A364-I366 HydrophobicContact CB-CD1 4.31Å; A364-I366 HydrophobicContact CB-CG1 4.11Å; A364-I366 PolarHBondContact O-N 3.34Å; I366-V389 HydrophobicContact CG2-CB 4.32Å; I366-V389 HydrophobicContact CG2-CG1 4.08Å; I366-V389 HydrophobicContact CG2-CG2 3.45Å; I366-V389 VanDerWaalsContact CG2-CG2 3.45Å
367L87.6Confident90.2Very high130 Ų13062.5 Ų62.568%0.68133%0.326SS*.  trans-104.1146.1-178.3-61.7168.2000110.5Q370 V389L367-Q370 WeakPolarHBondContact O-CB 3.37Å; L367-Q370 PolarHBondContact O-N 2.89Å; L367-V389 WeakPolarHBondContact O-CB 3.44Å; L367-V389 WeakPolarHBondContact O-CG1 3.37Å
368E90.9Very high89.8Confident120 Ų12066.4 Ų66.456%0.56134%0.339SS*.THydrogen-bonded Turntrans-58.6139.6169.3-67-171.7169.800110.5Q370 R391 V392E368-Q370 VanDerWaalsContact C-N 3.27Å; E368-Q370 PolarHBondContact O-N 3.46Å; E368-R391 VanDerWaalsContact OE1-CA 3.32Å; E368-R391 WeakPolarHBondContact OE1-CA 3.33Å; E368-V392 HydrophobicContact CG-CB 4.17Å; E368-V392 HydrophobicContact CG-CG2 3.87Å; E368-V392 PolarHBondContact OE1-N 3.48Å
369G91Very high89.4Confident39 Ų3969.7 Ų69.740%0.40237%0.373SS..THydrogen-bonded Turntrans84-13.2-175.800000115.2Q388 V389G369-Q388 WeakPolarHBondContact O-CG 3.46Å; G369-Q388 PolarHBondContact O-NE2 3.45Å; G369-V389 WeakPolarHBondContact CA-O 3.29Å; G369-V389 PolarHBondContact N-O 3.27Å
370Q92.1Very high88.9Confident41 Ų4174.4 Ų74.419%0.19240%0.397CS..  trans-64.4138.4179.2-169.5173.31300111.4L367 E368 V372 V389L367-Q370 WeakPolarHBondContact O-CB 3.37Å; L367-Q370 PolarHBondContact O-N 2.89Å; E368-Q370 VanDerWaalsContact C-N 3.27Å; E368-Q370 PolarHBondContact O-N 3.46Å; Q370-V372 HydrophobicContact CG-CG1 4.36Å; Q370-V389 HydrophobicContact CB-CG2 4.31Å; Q370-V389 WeakPolarHBondContact O-CG2 3.33Å; Q370-V389 PolarHBondContact O-N 2.89Å
371K94.3Very high88.9Confident112 Ų11279.2 Ų79.249%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-81.8132.7172-68.3178.2-176.4173.40109.5E339 T387E339-K371 HydrophobicContact CG-CB 4.5Å; E339-K371 WeakPolarHBondContact OE1-CB 3.42Å; K371-T387 WeakPolarHBondContact CA-O 3.43Å
372V94.7Very high89Confident2 Ų280.6 Ų80.61%0.01242%0.423CS..EExtended strand (participates in β ladder)trans-140.9149.2178-600000109.4A337 R338 Q370 T387 V389 L399A337-V372 WeakPolarHBondContact O-CA 3.26Å; R338-V372 HydrophobicContact CG-CG1 4.32Å; Q370-V372 HydrophobicContact CG-CG1 4.36Å; V372-T387 VanDerWaalsContact CG2-OG1 3.25Å; V372-T387 WeakPolarHBondContact CG2-OG1 3.23Å; V372-T387 PolarHBondContact N-O 3.41Å; V372-T387 CarbonylContact O-C 3.46Å; V372-T387 WeakPolarHBondContact O-CA 3.09Å; V372-T387 PolarHBondContact O-N 3.08Å; V372-T387 PolarHBondContact O-OG1 2.9Å; V372-V389 HydrophobicContact CG1-CG2 4.14Å; V372-V389 HydrophobicContact CG2-CG2 4.07Å; V372-L399 HydrophobicContact CG2-CD2 3.73Å
373N95.8Very high89.6Confident69 Ų6979.9 Ų79.937%0.36941%0.406SS..EExtended strand (participates in β ladder)trans-95.9121.6174.9-77.4-33.5000108.7I336 A337 L375 V384I336-N373 CarbonylContact C-O 3.55Å; I336-N373 WeakPolarHBondContact CA-O 3.36Å; A337-N373 HydrophobicContact CB-CB 4.13Å; A337-N373 PolarHBondContact N-O 2.73Å; A337-N373 PolarHBondContact O-N 3.47Å; N373-L375 WeakPolarHBondContact O-CD1 3.34Å; N373-V384 HydrophobicContact CB-CG1 3.67Å
374L96Very high90.5Very high0 Ų074 Ų740%038%0.383CS..EExtended strand (participates in β ladder)trans-85.6126.4173.3174.771.6000109.3A334 I336 L356 L376 V384 F385 T387 L399A334-L374 HydrophobicContact CB-CD1 4.07Å; I336-L374 HydrophobicContact CG2-CD1 4.13Å; L356-L374 HydrophobicContact CD1-CD2 3.63Å; L356-L374 HydrophobicContact CD2-CD2 3.53Å; L356-L374 HydrophobicContact CG-CD2 4.17Å; L374-L376 HydrophobicContact CD1-CD2 4.22Å; L374-L376 HydrophobicContact CD2-CD1 4.18Å; L374-L376 HydrophobicContact CD2-CD2 4.12Å; L374-L376 HydrophobicContact CD2-CG 4.08Å; L374-L376 HydrophobicContact CG-CD2 4.13Å; L374-L376 HydrophobicContact CG-CG 4.13Å; L374-V384 CarbonylContact O-C 3.59Å; L374-V384 WeakPolarHBondContact O-CA 3.44Å; L374-F385 HydrophobicContact CB-CB 4.37Å; L374-F385 PolarHBondContact N-O 2.94Å; L374-F385 PolarHBondContact O-N 3.35Å; L374-T387 HydrophobicContact CB-CG2 3.98Å; L374-L399 HydrophobicContact CB-CD1 4.47Å; L374-L399 HydrophobicContact CD1-CD1 4.21Å
375L96Very high91.6Very high28 Ų2872.7 Ų72.715%0.14737%0.372CS..EExtended strand (participates in β ladder)trans-102.6120.3174.8-67.285.1000109.4A334 A335 A337 L343 N373 Y383 V384A334-L375 WeakPolarHBondContact CA-O 3.4Å; A335-L375 HydrophobicContact CB-CB 4.24Å; A335-L375 PolarHBondContact N-O 2.89Å; A335-L375 VanDerWaalsContact N-O 3.1Å; A335-L375 PolarHBondContact O-N 3.44Å; A337-L375 HydrophobicContact CB-CD1 3.78Å; L343-L375 HydrophobicContact CD2-CD1 3.96Å; L343-L375 HydrophobicContact CD2-CD2 4.26Å; N373-L375 WeakPolarHBondContact O-CD1 3.34Å; L375-Y383 VanDerWaalsContact CA-O 3.31Å; L375-Y383 WeakPolarHBondContact CA-O 3.49Å; L375-V384 HydrophobicContact CG-CG2 4.34Å
376L95.4Very high92.4Very high4 Ų466.4 Ų66.42%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-116.9150.5171.1-55.6175.8000110.3M332 A334 V348 L374 Y383 F385 F412 C415 T416M332-L376 HydrophobicContact CE-CD1 4.18Å; M332-L376 HydrophobicContact CE-CD2 3.9Å; A334-L376 HydrophobicContact CB-CD2 3.73Å; V348-L376 HydrophobicContact CG2-CD2 4.16Å; L374-L376 HydrophobicContact CD1-CD2 4.22Å; L374-L376 HydrophobicContact CD2-CD1 4.18Å; L374-L376 HydrophobicContact CD2-CD2 4.12Å; L374-L376 HydrophobicContact CD2-CG 4.08Å; L374-L376 HydrophobicContact CG-CD2 4.13Å; L374-L376 HydrophobicContact CG-CG 4.13Å; L376-Y383 PolarHBondContact N-O 2.71Å; L376-Y383 PolarHBondContact O-N 3.27Å; L376-F385 HydrophobicContact CB-CD2 4.47Å; L376-F385 HydrophobicContact CB-CE2 3.92Å; L376-F385 HydrophobicContact CD1-CD2 4.01Å; L376-F385 HydrophobicContact CD1-CE2 3.78Å; L376-F385 HydrophobicContact CG-CD2 4.08Å; L376-F385 HydrophobicContact CG-CE2 3.94Å; L376-F412 HydrophobicContact CD1-CD2 4.28Å; L376-F412 HydrophobicContact CD1-CE2 4.22Å; L376-C415 HydrophobicContact CB-CB 4.07Å; L376-C415 HydrophobicContact CD1-CB 3.93Å; L376-T416 HydrophobicContact CD1-CG2 4.18Å
377K91.2Very high92.9Very high125 Ų12565.8 Ų65.854%0.54334%0.343SS..EExtended strand (participates in β ladder)trans-106.9137.6178-68-172.2-177-1440111.3Q381 E382K377-Q381 WeakPolarHBondContact CA-O 3.39Å; K377-E382 HydrophobicContact CD-CG 4.27Å; K377-E382 WeakPolarHBondContact CE-OE1 3.22Å; K377-E382 HydrophobicContact CG-CG 3.77Å; K377-E382 IonicContact NZ-OE1 3.17Å; K377-E382 PolarHBondContact NZ-OE1 3.33Å
378R88.5Confident93.3Very high87 Ų8762.8 Ų62.833%0.32833%0.325SS..EExtended strand (participates in β ladder)trans-126.9105.6164.6-172.7-173.471.9169.6-9.9109.2Q380 Q381 Y383R378-Q380 PolarHBondContact O-N 3.08Å; R378-Q381 PolarHBondContact N-O 3.47Å; R378-Q381 PolarHBondContact O-N 3.12Å; R378-Q381 VanDerWaalsContact O-N 3.08Å; R378-Y383 HydrophobicContact CB-CD2 4.37Å; R378-Y383 HydrophobicContact CB-CE2 3.88Å; R378-Y383 PolarHBondContact NH2-OH 2.94Å
379G85.9Confident93.5Very high70 Ų7057.2 Ų57.272%0.72230%0.299SS*.THydrogen-bonded Turntrans59.7-120.5-171.600000110.4
380Q87Confident93.6Very high196 Ų19658.3 Ų58.392%0.91631%0.305SS*.THydrogen-bonded Turntrans-93.2-0.8178.7-60.3-60.5-25.200113.8R378R378-Q380 PolarHBondContact O-N 3.08Å
381Q92.2Very high93.7Very high107 Ų10763.5 Ų63.550%0.532%0.322SS..EExtended strand (participates in β ladder)trans-100.4137.4-177.8-68.6177.2-30.900110.9K377 R378 Y383K377-Q381 WeakPolarHBondContact CA-O 3.39Å; R378-Q381 PolarHBondContact N-O 3.47Å; R378-Q381 PolarHBondContact O-N 3.12Å; R378-Q381 VanDerWaalsContact O-N 3.08Å; Q381-Y383 HydrophobicContact CB-CD2 4.43Å; Q381-Y383 HydrophobicContact CB-CE2 3.54Å; Q381-Y383 PolarHBondContact OE1-OH 2.92Å
382E92.8Very high93.6Very high113 Ų11360.2 Ų60.253%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-104.6136.8174.4-78.7176.5-165.200110.1K377K377-E382 HydrophobicContact CD-CG 4.27Å; K377-E382 WeakPolarHBondContact CE-OE1 3.22Å; K377-E382 HydrophobicContact CG-CG 3.77Å; K377-E382 IonicContact NZ-OE1 3.17Å; K377-E382 PolarHBondContact NZ-OE1 3.33Å
383Y95.7Very high93.3Very high32 Ų3265.1 Ų65.113%0.12534%0.336CS..EExtended strand (participates in β ladder)trans-125.9142-178.3-63.8-94.5000109.8L375 L376 R378 Q381 F385 D411L375-Y383 VanDerWaalsContact CA-O 3.31Å; L375-Y383 WeakPolarHBondContact CA-O 3.49Å; L376-Y383 PolarHBondContact N-O 2.71Å; L376-Y383 PolarHBondContact O-N 3.27Å; R378-Y383 HydrophobicContact CB-CD2 4.37Å; R378-Y383 HydrophobicContact CB-CE2 3.88Å; R378-Y383 PolarHBondContact NH2-OH 2.94Å; Q381-Y383 HydrophobicContact CB-CD2 4.43Å; Q381-Y383 HydrophobicContact CB-CE2 3.54Å; Q381-Y383 PolarHBondContact OE1-OH 2.92Å; Y383-F385 HydrophobicContact CG-CZ 4.38Å; Y383-D411 HydrophobicContact CD1-CB 3.52Å; Y383-D411 VanDerWaalsContact CD1-CG 3.5Å; Y383-D411 HydrophobicContact CE1-CB 3.83Å; Y383-D411 VanDerWaalsContact CE1-CG 3.42Å; Y383-D411 HydrophobicContact CG-CB 4.28Å
384V95Very high93Very high71 Ų7165 Ų6543%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-114.3126.8-175.9-173.30000110.3N373 L374 L375N373-V384 HydrophobicContact CB-CG1 3.67Å; L374-V384 CarbonylContact O-C 3.59Å; L374-V384 WeakPolarHBondContact O-CA 3.44Å; L375-V384 HydrophobicContact CG-CG2 4.34Å
385F96.5Very high92.7Very high1 Ų169 Ų690%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-121118.9-179.4-53.8-76.4000110.3L374 L376 Y383 T387 L401 Q408 D411 F412L374-F385 HydrophobicContact CB-CB 4.37Å; L374-F385 PolarHBondContact N-O 2.94Å; L374-F385 PolarHBondContact O-N 3.35Å; L376-F385 HydrophobicContact CB-CD2 4.47Å; L376-F385 HydrophobicContact CB-CE2 3.92Å; L376-F385 HydrophobicContact CD1-CD2 4.01Å; L376-F385 HydrophobicContact CD1-CE2 3.78Å; L376-F385 HydrophobicContact CG-CD2 4.08Å; L376-F385 HydrophobicContact CG-CE2 3.94Å; Y383-F385 HydrophobicContact CG-CZ 4.38Å; F385-T387 PolarHBondContact O-N 3.05Å; F385-L401 HydrophobicContact CB-CD2 4.23Å; F385-Q408 VanDerWaalsContact CE1-O 3.28Å; F385-Q408 WeakPolarHBondContact CE1-O 3.43Å; F385-D411 HydrophobicContact CE1-CB 4.07Å; F385-D411 HydrophobicContact CZ-CB 4.12Å; F385-F412 HydrophobicContact CD1-CB 3.91Å; F385-F412 HydrophobicContact CD1-CD2 4.07Å; F385-F412 HydrophobicContact CD1-CG 4.45Å; F385-F412 HydrophobicContact CD2-CD2 4.35Å; F385-F412 VanDerWaalsContact CE1-CA 3.5Å; F385-F412 HydrophobicContact CE1-CB 3.53Å; F385-F412 HydrophobicContact CE1-CD2 4.2Å; F385-F412 HydrophobicContact CE1-CG 4.38Å; F385-F412 HydrophobicContact CE2-CD2 4.46Å; F385-F412 HydrophobicContact CG-CD2 4.15Å; F385-F412 HydrophobicContact CZ-CB 4.09Å; F385-F412 HydrophobicContact CZ-CD2 4.38Å
386P96.3Very high92.6Very high34 Ų3472 Ų7222%0.22139%0.385CS..EExtended strand (participates in β ladder)trans-67.1127.1176.527.2-33.7000110.2M402 L404P386-M402 HydrophobicContact CB-CB 4.07Å; P386-M402 HydrophobicContact CB-CG 4.32Å; P386-M402 HydrophobicContact CG-CB 4.21Å; P386-M402 WeakPolarHBondContact O-CB 3.41Å; P386-M402 PolarHBondContact O-N 3.25Å; P386-L404 HydrophobicContact CG-CD2 3.95Å
387T96.6Very high92.5Very high1 Ų172 Ų721%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-134.3162.2-179.459.20000111.5K371 V372 L374 F385 L399 K400 L401K371-T387 WeakPolarHBondContact CA-O 3.43Å; V372-T387 VanDerWaalsContact CG2-OG1 3.25Å; V372-T387 WeakPolarHBondContact CG2-OG1 3.23Å; V372-T387 PolarHBondContact N-O 3.41Å; V372-T387 CarbonylContact O-C 3.46Å; V372-T387 WeakPolarHBondContact O-CA 3.09Å; V372-T387 PolarHBondContact O-N 3.08Å; V372-T387 PolarHBondContact O-OG1 2.9Å; L374-T387 HydrophobicContact CB-CG2 3.98Å; F385-T387 PolarHBondContact O-N 3.05Å; T387-L399 HydrophobicContact CG2-CB 4.32Å; T387-L399 HydrophobicContact CG2-CD1 4.47Å; T387-K400 CarbonylContact C-O 3.59Å; T387-K400 WeakPolarHBondContact CA-O 3.31Å; T387-K400 WeakPolarHBondContact CB-O 3.33Å; T387-L401 HydrophobicContact CG2-CD2 3.84Å
388Q95.5Very high92.7Very high66 Ų6666.8 Ų66.831%0.30837%0.368SS..EExtended strand (participates in β ladder)trans-122.8137.1170.8-173.1177.332.500109.6G369 A390 L399 K400 M402G369-Q388 WeakPolarHBondContact O-CG 3.46Å; G369-Q388 PolarHBondContact O-NE2 3.45Å; Q388-A390 PolarHBondContact O-N 2.98Å; Q388-L399 WeakPolarHBondContact O-CA 3.44Å; Q388-K400 PolarHBondContact N-O 3.44Å; Q388-K400 PolarHBondContact O-N 3.41Å; Q388-M402 HydrophobicContact CB-SD 3.96Å
389V95.4Very high93Very high3 Ų362.8 Ų62.82%0.01835%0.352CS..EExtended strand (participates in β ladder)trans-68.7114.7175.3-178.80000108.9I366 L367 G369 Q370 V372 V392 V397 L399I366-V389 HydrophobicContact CG2-CB 4.32Å; I366-V389 HydrophobicContact CG2-CG1 4.08Å; I366-V389 HydrophobicContact CG2-CG2 3.45Å; I366-V389 VanDerWaalsContact CG2-CG2 3.45Å; L367-V389 WeakPolarHBondContact O-CB 3.44Å; L367-V389 WeakPolarHBondContact O-CG1 3.37Å; G369-V389 WeakPolarHBondContact CA-O 3.29Å; G369-V389 PolarHBondContact N-O 3.27Å; Q370-V389 HydrophobicContact CB-CG2 4.31Å; Q370-V389 WeakPolarHBondContact O-CG2 3.33Å; Q370-V389 PolarHBondContact O-N 2.89Å; V372-V389 HydrophobicContact CG1-CG2 4.14Å; V372-V389 HydrophobicContact CG2-CG2 4.07Å; V389-V392 HydrophobicContact CG1-CG2 3.56Å; V389-V397 HydrophobicContact CG1-CG1 3.75Å; V389-V397 HydrophobicContact CG2-CG1 4.44Å; V389-L399 HydrophobicContact CG2-CD2 3.99Å
390A93.6Very high93.5Very high63 Ų6365.2 Ų65.252%0.52134%0.343SS..EExtended strand (participates in β ladder)trans-97.5-26.3-177.800000113.1Q388 G398 K400Q388-A390 PolarHBondContact O-N 2.98Å; A390-G398 PolarHBondContact N-O 3.2Å; A390-K400 HydrophobicContact CB-CB 4.26Å
391R93Very high93.9Very high149 Ų14956.7 Ų56.756%0.56230%0.304SS*.EExtended strand (participates in β ladder)trans-158.1141.9179.6-170.5-178.1-172.2-171.25.2110.7E368 M393 V397 G398E368-R391 VanDerWaalsContact OE1-CA 3.32Å; E368-R391 WeakPolarHBondContact OE1-CA 3.33Å; R391-M393 HydrophobicContact CG-CG 4.38Å; R391-M393 PolarHBondContact NE-SD 3.11Å; R391-M393 VanDerWaalsContact NE-SD 3.4Å; R391-M393 PolarHBondContact NH2-SD 2.88Å; R391-V397 WeakPolarHBondContact O-CA 3.37Å; R391-G398 PolarHBondContact N-O 2.9Å; R391-G398 PolarHBondContact O-N 3.07Å
392V92Very high94Very high44 Ų4454.4 Ų54.427%0.26729%0.294SS..EExtended strand (participates in β ladder)trans-124.8126.4171.5-1790000110.1E368 V389 V397E368-V392 HydrophobicContact CG-CB 4.17Å; E368-V392 HydrophobicContact CG-CG2 3.87Å; E368-V392 PolarHBondContact OE1-N 3.48Å; V389-V392 HydrophobicContact CG1-CG2 3.56Å; V392-V397 HydrophobicContact CG1-CG2 4.39Å; V392-V397 HydrophobicContact CG2-CG1 4.38Å; V392-V397 HydrophobicContact CG2-CG2 4.34Å
393M89.8Confident94.1Very high104 Ų10454.9 Ų54.951%0.51231%0.307SS..EExtended strand (participates in β ladder)trans-134.492.3174.4-72.2-172.172.500110R391 N395 E396R391-M393 HydrophobicContact CG-CG 4.38Å; R391-M393 PolarHBondContact NE-SD 3.11Å; R391-M393 VanDerWaalsContact NE-SD 3.4Å; R391-M393 PolarHBondContact NH2-SD 2.88Å; M393-N395 PolarHBondContact O-N 3.45Å; M393-E396 PolarHBondContact N-O 2.99Å; M393-E396 PolarHBondContact O-N 2.55Å
394G87.9Confident94Very high67 Ų6755.4 Ų55.469%0.69131%0.312SS*.THydrogen-bonded Turntrans60.3-119.4-172.300000110.4
395N90.3Very high94Very high83 Ų8355.9 Ų55.944%0.44432%0.315SS..THydrogen-bonded Turntrans-91.5-3.2178.1-65.82.4000113.4K359 I360 M393K359-N395 CarbonylContact C-O 3.54Å; K359-N395 WeakPolarHBondContact CA-O 3.3Å; I360-N395 PolarHBondContact N-O 3.11Å; M393-N395 PolarHBondContact O-N 3.45Å
396E93Very high94Very high91 Ų9161.2 Ų61.243%0.42535%0.347SS..EExtended strand (participates in β ladder)trans-93.1126.4177.4-62.7-171.4163.300110Q349 I358 M393Q349-E396 PolarHBondContact NE2-OE1 3.39Å; Q349-E396 VanDerWaalsContact NE2-OE1 3.14Å; I358-E396 CarbonylContact O-C 3.38Å; I358-E396 WeakPolarHBondContact O-CA 3.28Å; M393-E396 PolarHBondContact N-O 2.99Å; M393-E396 PolarHBondContact O-N 2.55Å
397V94.3Very high94Very high6 Ų664.8 Ų64.84%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-128.4128-174.1-178.70000109.7I358 I360 V389 R391 V392 L399I358-V397 HydrophobicContact CD1-CB 4.34Å; I358-V397 HydrophobicContact CG1-CB 3.85Å; I358-V397 WeakPolarHBondContact CG1-O 3.49Å; I358-V397 PolarHBondContact N-O 2.87Å; I358-V397 PolarHBondContact O-N 3.25Å; I360-V397 HydrophobicContact CD1-CG2 3.63Å; I360-V397 HydrophobicContact CG1-CG2 4.3Å; V389-V397 HydrophobicContact CG1-CG1 3.75Å; V389-V397 HydrophobicContact CG2-CG1 4.44Å; R391-V397 WeakPolarHBondContact O-CA 3.37Å; V392-V397 HydrophobicContact CG1-CG2 4.39Å; V392-V397 HydrophobicContact CG2-CG1 4.38Å; V392-V397 HydrophobicContact CG2-CG2 4.34Å; V397-L399 HydrophobicContact CG1-CD2 3.99Å
398G95Very high93.9Very high15 Ų1567.2 Ų67.216%0.15537%0.372CS..EExtended strand (participates in β ladder)trans-89.1123170.100000110.2A390 R391A390-G398 PolarHBondContact N-O 3.2Å; R391-G398 PolarHBondContact N-O 2.9Å; R391-G398 PolarHBondContact O-N 3.07Å
399L96Very high93.9Very high2 Ų267.9 Ų67.91%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-104.7136.7174.1-61-178.6000110.3I336 G355 L356 I358 V372 L374 T387 Q388 V389 V397I336-L399 HydrophobicContact CG2-CD1 4.2Å; G355-L399 CarbonylContact C-O 3.42Å; G355-L399 WeakPolarHBondContact CA-O 3.32Å; L356-L399 PolarHBondContact N-O 2.71Å; L356-L399 PolarHBondContact O-N 2.96Å; I358-L399 HydrophobicContact CD1-CD1 3.8Å; I358-L399 HydrophobicContact CD1-CG 4.21Å; I358-L399 HydrophobicContact CG1-CD1 4.27Å; I358-L399 HydrophobicContact CG1-CG 4.35Å; I358-L399 HydrophobicContact CG2-CD1 4.16Å; V372-L399 HydrophobicContact CG2-CD2 3.73Å; L374-L399 HydrophobicContact CB-CD1 4.47Å; L374-L399 HydrophobicContact CD1-CD1 4.21Å; T387-L399 HydrophobicContact CG2-CB 4.32Å; T387-L399 HydrophobicContact CG2-CD1 4.47Å; Q388-L399 WeakPolarHBondContact O-CA 3.44Å; V389-L399 HydrophobicContact CG2-CD2 3.99Å; V397-L399 HydrophobicContact CG1-CD2 3.99Å
400K95.6Very high93.8Very high122 Ų12271.3 Ų71.353%0.5339%0.393SS..EExtended strand (participates in β ladder)trans-102.5129.8169-177179.6178.5-1760108.7T387 Q388 A390 M402T387-K400 CarbonylContact C-O 3.59Å; T387-K400 WeakPolarHBondContact CA-O 3.31Å; T387-K400 WeakPolarHBondContact CB-O 3.33Å; Q388-K400 PolarHBondContact N-O 3.44Å; Q388-K400 PolarHBondContact O-N 3.41Å; A390-K400 HydrophobicContact CB-CB 4.26Å; K400-M402 PolarHBondContact O-N 3.07Å
401L95.5Very high93.9Very high17 Ų1769.3 Ų69.39%0.08937%0.373CS..EExtended strand (participates in β ladder)trans-68.5131.8174.1-73.2163.1000109.5D353 G354 L356 F385 T387 L404 F412D353-L401 WeakPolarHBondContact O-CD1 3.22Å; G354-L401 PolarHBondContact O-N 3.12Å; L356-L401 HydrophobicContact CD1-CD1 4.34Å; L356-L401 HydrophobicContact CD1-CD2 4.05Å; L356-L401 HydrophobicContact CD1-CG 4.07Å; F385-L401 HydrophobicContact CB-CD2 4.23Å; T387-L401 HydrophobicContact CG2-CD2 3.84Å; L401-L404 HydrophobicContact CD2-CD1 4.4Å; L401-F412 HydrophobicContact CD1-CD1 4.22Å; L401-F412 HydrophobicContact CD1-CD2 4.49Å; L401-F412 HydrophobicContact CD1-CE1 3.69Å; L401-F412 HydrophobicContact CD1-CE2 4.01Å; L401-F412 HydrophobicContact CD1-CZ 3.58Å; L401-F412 HydrophobicContact CD2-CD2 4.38Å; L401-F412 HydrophobicContact CD2-CE2 4.17Å
402M94.9Very high94Very high59 Ų5962.2 Ų62.229%0.29135%0.347SS..PPolyproline II helixtrans-74.9162.2168.3-63-64.6-71.600109.1P386 Q388 K400 L404P386-M402 HydrophobicContact CB-CB 4.07Å; P386-M402 HydrophobicContact CB-CG 4.32Å; P386-M402 HydrophobicContact CG-CB 4.21Å; P386-M402 WeakPolarHBondContact O-CB 3.41Å; P386-M402 PolarHBondContact O-N 3.25Å; Q388-M402 HydrophobicContact CB-SD 3.96Å; K400-M402 PolarHBondContact O-N 3.07Å; M402-L404 WeakPolarHBondContact O-CD2 3.4Å; M402-L404 WeakPolarHBondContact O-CG 3.27Å; M402-L404 PolarHBondContact O-N 2.85Å
403P94.1Very high94Very high122 Ų12262.4 Ų62.479%0.79235%0.348SS*.PPolyproline II helixtrans-51117174-27.435.9000111.2
404L94.1Very high94.1Very high44 Ų4460.7 Ų60.723%0.2334%0.338CS..PPolyproline II helixtrans-91.5147.2-178.5-59.5-178000110.2P386 L401 M402 Q408 H409 F412P386-L404 HydrophobicContact CG-CD2 3.95Å; L401-L404 HydrophobicContact CD2-CD1 4.4Å; M402-L404 WeakPolarHBondContact O-CD2 3.4Å; M402-L404 WeakPolarHBondContact O-CG 3.27Å; M402-L404 PolarHBondContact O-N 2.85Å; L404-Q408 HydrophobicContact CB-CB 3.97Å; L404-Q408 HydrophobicContact CD2-CB 4.28Å; L404-H409 HydrophobicContact CB-CB 4.37Å; L404-F412 HydrophobicContact CD1-CB 4.16Å; L404-F412 HydrophobicContact CD1-CG 4.43Å
405T95.7Very high94.3Very high80 Ų8057.5 Ų57.549%0.49131%0.306SS..PPolyproline II helixtrans-65.5161.2163.162.30000110.6Q407 Q408 H409T405-Q407 VanDerWaalsContact C-N 3.26Å; T405-Q407 PolarHBondContact O-N 2.99Å; T405-Q408 PolarHBondContact O-N 3.44Å; T405-Q408 WeakPolarHBondContact OG1-CB 3.47Å; T405-Q408 VanDerWaalsContact OG1-CG 3.29Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.26Å; T405-Q408 PolarHBondContact OG1-N 3.24Å; T405-Q408 PolarHBondContact OG1-OE1 3.5Å; T405-H409 PolarHBondContact O-N 2.93Å
406T95.8Very high94.4Very high113 Ų11353.6 Ų53.669%0.69329%0.285SS*.Hα-helixtrans-55.2-41.3177.3-52.90000112.4H409 I410T406-H409 PolarHBondContact O-N 3.27Å; T406-I410 HydrophobicContact CG2-CD1 4.22Å; T406-I410 WeakPolarHBondContact O-CG1 3.34Å; T406-I410 PolarHBondContact O-N 3.46Å
407Q95.6Very high94.2Very high109 Ų10951.1 Ų51.151%0.50927%0.273SS..Hα-helixtrans-66.1-47.2177.9-173.358.54900111.5T405 H409 I410 D411T405-Q407 VanDerWaalsContact C-N 3.26Å; T405-Q407 PolarHBondContact O-N 2.99Å; Q407-H409 PolarHBondContact O-N 2.73Å; Q407-I410 WeakPolarHBondContact O-CB 3.44Å; Q407-I410 PolarHBondContact O-N 3.43Å; Q407-I410 VanDerWaalsContact O-N 3.14Å; Q407-D411 PolarHBondContact NE2-OD1 3.46Å; Q407-D411 WeakPolarHBondContact O-CB 3.41Å; Q407-D411 PolarHBondContact O-N 3.09Å
408Q95.2Very high93.9Very high52 Ų5254 Ų5424%0.24330%0.298CS..Hα-helixtrans-60.2-35.6175-74.9170.7-46.300112F385 L404 T405 D411 F412F385-Q408 VanDerWaalsContact CE1-O 3.28Å; F385-Q408 WeakPolarHBondContact CE1-O 3.43Å; L404-Q408 HydrophobicContact CB-CB 3.97Å; L404-Q408 HydrophobicContact CD2-CB 4.28Å; T405-Q408 PolarHBondContact O-N 3.44Å; T405-Q408 WeakPolarHBondContact OG1-CB 3.47Å; T405-Q408 VanDerWaalsContact OG1-CG 3.29Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.26Å; T405-Q408 PolarHBondContact OG1-N 3.24Å; T405-Q408 PolarHBondContact OG1-OE1 3.5Å; Q408-D411 PolarHBondContact O-N 3.5Å; Q408-F412 VanDerWaalsContact O-CB 3.23Å; Q408-F412 WeakPolarHBondContact O-CB 3.43Å; Q408-F412 PolarHBondContact O-N 2.91Å
409H94.5Very high93.5Very high81 Ų8156.8 Ų56.838%0.37530%0.303SS..Hα-helixtrans-66.8-44.2175.5-176.8-151.7000111.6D353 L404 T405 T406 Q407 D411 F412 V413D353-H409 IonicContact OD1-NE2 2.74Å; L404-H409 HydrophobicContact CB-CB 4.37Å; T405-H409 PolarHBondContact O-N 2.93Å; T406-H409 PolarHBondContact O-N 3.27Å; Q407-H409 PolarHBondContact O-N 2.73Å; H409-D411 VanDerWaalsContact C-N 3.34Å; H409-D411 PolarHBondContact O-N 3.32Å; H409-F412 PolarHBondContact O-N 3.46Å; H409-V413 WeakPolarHBondContact O-CG2 3.34Å; H409-V413 PolarHBondContact O-N 2.94Å
410I94.5Very high92.5Very high75 Ų7560.3 Ų60.339%0.38533%0.332SS..Hα-helixtrans-58.1-47.5173.4-69.1165.5000110.5T406 Q407 F412 V413 Q414T406-I410 HydrophobicContact CG2-CD1 4.22Å; T406-I410 WeakPolarHBondContact O-CG1 3.34Å; T406-I410 PolarHBondContact O-N 3.46Å; Q407-I410 WeakPolarHBondContact O-CB 3.44Å; Q407-I410 PolarHBondContact O-N 3.43Å; Q407-I410 VanDerWaalsContact O-N 3.14Å; I410-F412 VanDerWaalsContact C-N 3.33Å; I410-F412 PolarHBondContact O-N 3.1Å; I410-V413 PolarHBondContact O-N 3.33Å; I410-Q414 HydrophobicContact CG2-CG 4.4Å; I410-Q414 WeakPolarHBondContact O-CB 3.4Å; I410-Q414 VanDerWaalsContact O-CG 3.26Å; I410-Q414 WeakPolarHBondContact O-CG 3.21Å; I410-Q414 PolarHBondContact O-N 3.49Å
411D95.1Very high91.7Very high21 Ų2157.3 Ų57.311%0.11232%0.322CS..Hα-helixtrans-63.6-40.1179.9-64.5-24000111.3Y383 F385 Q407 Q408 H409 Q414 C415Y383-D411 HydrophobicContact CD1-CB 3.52Å; Y383-D411 VanDerWaalsContact CD1-CG 3.5Å; Y383-D411 HydrophobicContact CE1-CB 3.83Å; Y383-D411 VanDerWaalsContact CE1-CG 3.42Å; Y383-D411 HydrophobicContact CG-CB 4.28Å; F385-D411 HydrophobicContact CE1-CB 4.07Å; F385-D411 HydrophobicContact CZ-CB 4.12Å; Q407-D411 PolarHBondContact NE2-OD1 3.46Å; Q407-D411 WeakPolarHBondContact O-CB 3.41Å; Q407-D411 PolarHBondContact O-N 3.09Å; Q408-D411 PolarHBondContact O-N 3.5Å; H409-D411 VanDerWaalsContact C-N 3.34Å; H409-D411 PolarHBondContact O-N 3.32Å; D411-Q414 PolarHBondContact O-N 2.84Å; D411-C415 WeakPolarHBondContact O-CB 3.23Å; D411-C415 PolarHBondContact O-N 2.84Å; D411-C415 PolarHBondContact O-SG 3.39Å; D411-C415 VanDerWaalsContact O-SG 3.34Å
412F95Very high90.9Very high0 Ų056.6 Ų56.60%032%0.318CS..Hα-helixtrans-61.9-49.1176.1-177.9-105.8000110.8L356 L376 F385 L401 L404 Q408 H409 I410 Q414 C415 T416 F417L356-F412 HydrophobicContact CD1-CE2 3.96Å; L356-F412 HydrophobicContact CD1-CZ 4.1Å; L356-F412 HydrophobicContact CD2-CE2 4.24Å; L356-F412 HydrophobicContact CG-CE2 4.45Å; L356-F412 HydrophobicContact CG-CZ 4.4Å; L376-F412 HydrophobicContact CD1-CD2 4.28Å; L376-F412 HydrophobicContact CD1-CE2 4.22Å; F385-F412 HydrophobicContact CD1-CB 3.91Å; F385-F412 HydrophobicContact CD1-CD2 4.07Å; F385-F412 HydrophobicContact CD1-CG 4.45Å; F385-F412 HydrophobicContact CD2-CD2 4.35Å; F385-F412 VanDerWaalsContact CE1-CA 3.5Å; F385-F412 HydrophobicContact CE1-CB 3.53Å; F385-F412 HydrophobicContact CE1-CD2 4.2Å; F385-F412 HydrophobicContact CE1-CG 4.38Å; F385-F412 HydrophobicContact CE2-CD2 4.46Å; F385-F412 HydrophobicContact CG-CD2 4.15Å; F385-F412 HydrophobicContact CZ-CB 4.09Å; F385-F412 HydrophobicContact CZ-CD2 4.38Å; L401-F412 HydrophobicContact CD1-CD1 4.22Å; L401-F412 HydrophobicContact CD1-CD2 4.49Å; L401-F412 HydrophobicContact CD1-CE1 3.69Å; L401-F412 HydrophobicContact CD1-CE2 4.01Å; L401-F412 HydrophobicContact CD1-CZ 3.58Å; L401-F412 HydrophobicContact CD2-CD2 4.38Å; L401-F412 HydrophobicContact CD2-CE2 4.17Å; L404-F412 HydrophobicContact CD1-CB 4.16Å; L404-F412 HydrophobicContact CD1-CG 4.43Å; Q408-F412 VanDerWaalsContact O-CB 3.23Å; Q408-F412 WeakPolarHBondContact O-CB 3.43Å; Q408-F412 PolarHBondContact O-N 2.91Å; H409-F412 PolarHBondContact O-N 3.46Å; I410-F412 VanDerWaalsContact C-N 3.33Å; I410-F412 PolarHBondContact O-N 3.1Å; F412-Q414 VanDerWaalsContact C-N 3.27Å; F412-Q414 PolarHBondContact O-N 3.31Å; F412-C415 PolarHBondContact O-N 3.07Å; F412-T416 HydrophobicContact CD2-CG2 4.24Å; F412-T416 HydrophobicContact CE1-CG2 4.26Å; F412-T416 HydrophobicContact CE2-CG2 3.77Å; F412-T416 HydrophobicContact CZ-CG2 3.78Å; F412-T416 WeakPolarHBondContact O-CB 3.29Å; F412-T416 WeakPolarHBondContact O-CG2 3.47Å; F412-T416 PolarHBondContact O-N 3.32Å; F412-T416 PolarHBondContact O-OG1 3.38Å; F412-F417 HydrophobicContact CE1-CE2 4.32Å
413V92.6Very high90.2Very high48 Ų4854 Ų5429%0.29131%0.306SS..Hα-helixtrans-59.3-40.5175.91700000110.8H409 I410 T416 F417 A418H409-V413 WeakPolarHBondContact O-CG2 3.34Å; H409-V413 PolarHBondContact O-N 2.94Å; I410-V413 PolarHBondContact O-N 3.33Å; V413-T416 CarbonylContact O-C 3.56Å; V413-T416 PolarHBondContact O-N 3.34Å; V413-F417 HydrophobicContact CG1-CB 4.33Å; V413-F417 HydrophobicContact CG2-CD2 4.48Å; V413-F417 PolarHBondContact O-N 3.2Å; V413-A418 WeakPolarHBondContact O-CB 3.38Å; V413-A418 PolarHBondContact O-N 3.12Å
414Q92Very high89.2Confident67 Ų6750.6 Ų50.631%0.31329%0.287SS..Hα-helixtrans-68.4-32.3177.7-74.4177.9-11.200113.6I410 D411 F412I410-Q414 HydrophobicContact CG2-CG 4.4Å; I410-Q414 WeakPolarHBondContact O-CB 3.4Å; I410-Q414 VanDerWaalsContact O-CG 3.26Å; I410-Q414 WeakPolarHBondContact O-CG 3.21Å; I410-Q414 PolarHBondContact O-N 3.49Å; D411-Q414 PolarHBondContact O-N 2.84Å; F412-Q414 VanDerWaalsContact C-N 3.27Å; F412-Q414 PolarHBondContact O-N 3.31Å
415C92.4Very high88Confident1 Ų153.5 Ų53.51%0.00730%0.303CS..Hα-helixtrans-79.9-16.3174.3-740000113.4L376 D411 F412 R419L376-C415 HydrophobicContact CB-CB 4.07Å; L376-C415 HydrophobicContact CD1-CB 3.93Å; D411-C415 WeakPolarHBondContact O-CB 3.23Å; D411-C415 PolarHBondContact O-N 2.84Å; D411-C415 PolarHBondContact O-SG 3.39Å; D411-C415 VanDerWaalsContact O-SG 3.34Å; F412-C415 PolarHBondContact O-N 3.07Å; C415-R419 VanDerWaalsContact O-CD 3.25Å; C415-R419 WeakPolarHBondContact O-CD 3.5Å
416T91.8Very high86.5Confident0 Ų051.2 Ų51.20%029%0.285CS..THydrogen-bonded Turntrans-122-88.2-173.5570000111.8M332 F351 L376 F412 V413 A418 R419M332-T416 HydrophobicContact CE-CG2 4.03Å; F351-T416 HydrophobicContact CD2-CG2 4.02Å; F351-T416 HydrophobicContact CE2-CG2 4.35Å; F351-T416 HydrophobicContact CG-CG2 4.11Å; L376-T416 HydrophobicContact CD1-CG2 4.18Å; F412-T416 HydrophobicContact CD2-CG2 4.24Å; F412-T416 HydrophobicContact CE1-CG2 4.26Å; F412-T416 HydrophobicContact CE2-CG2 3.77Å; F412-T416 HydrophobicContact CZ-CG2 3.78Å; F412-T416 WeakPolarHBondContact O-CB 3.29Å; F412-T416 WeakPolarHBondContact O-CG2 3.47Å; F412-T416 PolarHBondContact O-N 3.32Å; F412-T416 PolarHBondContact O-OG1 3.38Å; V413-T416 CarbonylContact O-C 3.56Å; V413-T416 PolarHBondContact O-N 3.34Å; T416-A418 VanDerWaalsContact C-N 3.32Å; T416-A418 PolarHBondContact O-N 3.46Å; T416-R419 WeakPolarHBondContact O-CG 3.19Å; T416-R419 PolarHBondContact O-N 2.88Å
417F89Confident84.8Confident39 Ų3949.2 Ų49.217%0.17127%0.268CS..THydrogen-bonded Turntrans-65.1-27.7-172.2-63.4-86.6000114.7F20 V328 F351 F412 V413 R419 W423F20-F417 HydrophobicContact CE1-CE1 4.45Å; F20-F417 HydrophobicContact CE2-CE1 4.46Å; F20-F417 HydrophobicContact CZ-CE1 4.13Å; V328-F417 HydrophobicContact CG2-CE1 4Å; F351-F417 HydrophobicContact CD2-CE1 4.37Å; F351-F417 HydrophobicContact CD2-CE2 4.08Å; F351-F417 AromaticContact CD2-CZ 3.99Å; F351-F417 HydrophobicContact CD2-CZ 3.99Å; F351-F417 AromaticContact CE2-CD1 3.89Å; F351-F417 HydrophobicContact CE2-CD1 3.89Å; F351-F417 HydrophobicContact CE2-CD2 4.07Å; F351-F417 AromaticContact CE2-CE1 3.79Å; F351-F417 HydrophobicContact CE2-CE1 3.79Å; F351-F417 AromaticContact CE2-CE2 3.97Å; F351-F417 HydrophobicContact CE2-CE2 3.97Å; F351-F417 HydrophobicContact CE2-CG 4.03Å; F351-F417 AromaticContact CE2-CZ 3.83Å; F351-F417 HydrophobicContact CE2-CZ 3.83Å; F412-F417 HydrophobicContact CE1-CE2 4.32Å; V413-F417 HydrophobicContact CG1-CB 4.33Å; V413-F417 HydrophobicContact CG2-CD2 4.48Å; V413-F417 PolarHBondContact O-N 3.2Å; F417-R419 VanDerWaalsContact C-N 3.3Å; F417-R419 PolarHBondContact O-N 3.13Å; F417-W423 HydrophobicContact CB-CZ2 4.38Å; F417-W423 HydrophobicContact CD1-CH2 4.23Å; F417-W423 HydrophobicContact CD1-CZ2 4.05Å; F417-W423 PolarHBondContact O-NE1 2.91Å
418A88.4Confident83.2Confident68 Ų6850.5 Ų50.556%0.56228%0.278SS*.THydrogen-bonded Turntrans-86.13.8-176.100000114.1V413 T416V413-A418 WeakPolarHBondContact O-CB 3.38Å; V413-A418 PolarHBondContact O-N 3.12Å; T416-A418 VanDerWaalsContact C-N 3.32Å; T416-A418 PolarHBondContact O-N 3.46Å
419R85.5Confident81.8Confident73 Ų7352.3 Ų52.328%0.27530%0.297SS..  trans-79.1139.1178.2-52.617057.599.1-1.4110.7C415 T416 F417 D421C415-R419 VanDerWaalsContact O-CD 3.25Å; C415-R419 WeakPolarHBondContact O-CD 3.5Å; T416-R419 WeakPolarHBondContact O-CG 3.19Å; T416-R419 PolarHBondContact O-N 2.88Å; F417-R419 VanDerWaalsContact C-N 3.3Å; F417-R419 PolarHBondContact O-N 3.13Å; R419-D421 WeakPolarHBondContact CB-OD1 3.28Å; R419-D421 IonicContact CZ-OD1 2.68Å; R419-D421 IonicContact CZ-OD2 3.42Å; R419-D421 IonicContact NE-OD1 3.72Å; R419-D421 PolarHBondContact NE-OD1 2.93Å; R419-D421 IonicContact NE-OD2 2.91Å; R419-D421 IonicContact NH2-OD1 3.46Å; R419-D421 IonicContact NH2-OD2 3.49Å; R419-D421 PolarHBondContact NH2-OD2 3.28Å
420A74.6Confident80.9Confident75 Ų7550.9 Ų50.962%0.6229%0.288SS*.Hα-helixtrans-70.4-34.2-179.500000112.9T422 A424A420-T422 VanDerWaalsContact C-N 3.3Å; A420-T422 PolarHBondContact O-N 3.47Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 3.47Å
421D80Confident80.1Confident59 Ų5951 Ų5132%0.31629%0.294SS..Hα-helixtrans-69.7-27-178.961.8-19.8000113M330 R419 W423M330-D421 WeakPolarHBondContact CE-OD2 3.33Å; R419-D421 WeakPolarHBondContact CB-OD1 3.28Å; R419-D421 IonicContact CZ-OD1 2.68Å; R419-D421 IonicContact CZ-OD2 3.42Å; R419-D421 IonicContact NE-OD1 3.72Å; R419-D421 PolarHBondContact NE-OD1 2.93Å; R419-D421 IonicContact NE-OD2 2.91Å; R419-D421 IonicContact NH2-OD1 3.46Å; R419-D421 IonicContact NH2-OD2 3.49Å; R419-D421 PolarHBondContact NH2-OD2 3.28Å; D421-W423 PolarHBondContact O-N 2.94Å
422T78.9Confident79.5Confident2 Ų256.5 Ų56.51%0.01232%0.319CS..Hα-helixtrans-57.9-37.1178.1-56.20000112.3V328 F351 A420 W426V328-T422 HydrophobicContact CG1-CG2 3.74Å; F351-T422 HydrophobicContact CE1-CG2 4.44Å; F351-T422 HydrophobicContact CZ-CG2 4.02Å; A420-T422 VanDerWaalsContact C-N 3.3Å; A420-T422 PolarHBondContact O-N 3.47Å; T422-W426 PolarHBondContact O-NE1 3.05Å
423W80.3Confident79.1Confident6 Ų657.3 Ų57.32%0.02332%0.323CS..Hα-helixtrans-107-25.6-172.3-45.5119.7000113.6H18 F20 P104 A107 V328 F417 D421 L425 W426H18-W423 AromaticContact CD2-CE3 3.61Å; H18-W423 AromaticContact NE2-CE3 3.6Å; F20-W423 HydrophobicContact CB-CH2 4.2Å; F20-W423 HydrophobicContact CB-CZ3 3.84Å; F20-W423 HydrophobicContact CD1-CH2 4.36Å; F20-W423 HydrophobicContact CG-CH2 4.41Å; P104-W423 HydrophobicContact CB-CB 3.94Å; A107-W423 HydrophobicContact CB-CD2 3.74Å; A107-W423 HydrophobicContact CB-CE3 3.78Å; A107-W423 HydrophobicContact CB-CH2 3.48Å; A107-W423 VanDerWaalsContact CB-CH2 3.48Å; A107-W423 HydrophobicContact CB-CZ2 3.45Å; A107-W423 VanDerWaalsContact CB-CZ2 3.45Å; A107-W423 HydrophobicContact CB-CZ3 3.66Å; V328-W423 HydrophobicContact CG1-CH2 3.88Å; V328-W423 HydrophobicContact CG1-CZ3 3.84Å; V328-W423 HydrophobicContact CG2-CH2 3.78Å; V328-W423 HydrophobicContact CG2-CZ3 4.25Å; F417-W423 HydrophobicContact CB-CZ2 4.38Å; F417-W423 HydrophobicContact CD1-CH2 4.23Å; F417-W423 HydrophobicContact CD1-CZ2 4.05Å; F417-W423 PolarHBondContact O-NE1 2.91Å; D421-W423 PolarHBondContact O-N 2.94Å; W423-L425 VanDerWaalsContact C-N 3.31Å; W423-L425 PolarHBondContact O-N 3.21Å; W423-W426 HydrophobicContact CZ3-CH2 4.49Å; W423-W426 HydrophobicContact CZ3-CZ2 4.11Å; W423-W426 PolarHBondContact O-N 2.89Å
424A73.3Confident78.8Confident49 Ų4960.4 Ų60.441%0.40533%0.333SS..Hα-helixtrans-61.9-38.2-177.700000112.5A420 W426A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 3.47Å; A424-W426 VanDerWaalsContact C-N 3.34Å; A424-W426 PolarHBondContact O-N 3.29Å
425L67.9Low78.5Confident106 Ų10658.7 Ų58.756%0.55533%0.327SS*.THydrogen-bonded Turntrans-77.9-15.7-174.6-64.2170.9000114.1W423 Q427 D428 S429W423-L425 VanDerWaalsContact C-N 3.31Å; W423-L425 PolarHBondContact O-N 3.21Å; L425-Q427 VanDerWaalsContact C-N 3.31Å; L425-Q427 PolarHBondContact O-N 3.26Å; L425-D428 PolarHBondContact O-N 3.23Å; L425-S429 PolarHBondContact O-OG 2.71Å
426W64.7Low78.2Confident32 Ų3265 Ų6512%0.12136%0.361CS..THydrogen-bonded Turntrans-71.6-25.6-172.6-80.444.1000113.3H18 F20 F32 V328 T422 W423 A424H18-W426 AromaticContact CE1-CD2 3.85Å; H18-W426 AromaticContact CE1-CE3 3.45Å; H18-W426 VanDerWaalsContact CE1-CE3 3.45Å; H18-W426 AromaticContact NE2-CD2 3.61Å; H18-W426 AromaticContact NE2-CE3 3.36Å; H18-W426 AromaticContact NE2-CG 3.99Å; H18-W426 AromaticContact NE2-CZ3 3.9Å; F20-W426 HydrophobicContact CB-CH2 3.62Å; F20-W426 HydrophobicContact CB-CZ2 4.45Å; F20-W426 HydrophobicContact CB-CZ3 4.06Å; F32-W426 HydrophobicContact CZ-CZ3 4.34Å; V328-W426 HydrophobicContact CG1-CZ2 3.84Å; T422-W426 PolarHBondContact O-NE1 3.05Å; W423-W426 HydrophobicContact CZ3-CH2 4.49Å; W423-W426 HydrophobicContact CZ3-CZ2 4.11Å; W423-W426 PolarHBondContact O-N 2.89Å; A424-W426 VanDerWaalsContact C-N 3.34Å; A424-W426 PolarHBondContact O-N 3.29Å
427Q60.6Low78Confident70 Ų7069.2 Ų69.233%0.32738%0.38SS..G310 helixtrans-79.8-26.9-179.3-70.1-172.3-1000113L425 S429L425-Q427 VanDerWaalsContact C-N 3.31Å; L425-Q427 PolarHBondContact O-N 3.26Å; Q427-S429 PolarHBondContact O-N 2.87Å
428D61.1Low77.9Confident137 Ų13767.6 Ų67.673%0.73337%0.374SS*.G310 helixtrans-77.9-2.1-174.2-67.4-26.1000113.7L425L425-D428 PolarHBondContact O-N 3.23Å
429S66.1Low77.9Confident90 Ų9067 Ų6763%0.62936%0.361SS*.G310 helixtrans-98.6-8.1-164.7-57.90000115.4L425 Q427L425-S429 PolarHBondContact O-OG 2.71Å; Q427-S429 PolarHBondContact O-N 2.87Å
430Y76.2Confident78Confident51 Ų5166.7 Ų66.720%0.236%0.364CS..PPolyproline II helixtrans-82.2135.5-176-63.9-70.3000112.2T35 P36T35-Y430 VanDerWaalsContact C-CE1 3.44Å; T35-Y430 VanDerWaalsContact O-CE1 3.27Å; T35-Y430 WeakPolarHBondContact O-CE1 3.48Å; P36-Y430 HydrophobicContact CG-CD1 4.3Å; P36-Y430 HydrophobicContact CG-CD2 4.31Å; P36-Y430 HydrophobicContact CG-CG 4Å
431P77.7Confident78.6Confident77 Ų7764.8 Ų64.850%0.534%0.343SS..PPolyproline II helixtrans-64.5146171.228-33.4000110.5H213H213-P431 PolarHBondContact NE2-O 2.92Å
432E81.1Confident79Confident137 Ų13762 Ų6264%0.6433%0.329SS*.PPolyproline II helixtrans-59.9144.2173.1-64.7-165.115100111K434E432-K434 PolarHBondContact O-N 2.92Å
433D86Confident79.5Confident16 Ų1664.2 Ų64.29%0.08634%0.34CS..PPolyproline II helixtrans-59.5136.7176.9-179.747.4000111.4S205 G209 H213 S214 S438S205-D433 WeakPolarHBondContact CB-OD2 3.48Å; S205-D433 PolarHBondContact OG-OD2 3.07Å; G209-D433 WeakPolarHBondContact O-CB 3.33Å; H213-D433 WeakPolarHBondContact CA-OD1 3.21Å; H213-D433 WeakPolarHBondContact CB-OD1 3.39Å; H213-D433 IonicContact CG-OD1 3.22Å; S214-D433 WeakPolarHBondContact CB-OD2 3.46Å; S214-D433 VanDerWaalsContact N-CG 3.32Å; S214-D433 PolarHBondContact N-OD1 3.33Å; S214-D433 PolarHBondContact N-OD2 3.02Å; S214-D433 PolarHBondContact OG-OD2 3.38Å; D433-S438 PolarHBondContact OD1-OG 2.83Å
434K86.7Confident79.8Confident113 Ų11369.8 Ų69.849%0.49136%0.364SS..  trans-126.4101171.5-70.5172.7179.9173.10107.6E432 L436 E437 S438E432-K434 PolarHBondContact O-N 2.92Å; K434-L436 PolarHBondContact O-N 2.82Å; K434-E437 HydrophobicContact CB-CB 4.01Å; K434-E437 HydrophobicContact CB-CG 4.09Å; K434-E437 HydrophobicContact CD-CG 4.14Å; K434-E437 VanDerWaalsContact CD-OE1 3.23Å; K434-E437 WeakPolarHBondContact CD-OE1 3.39Å; K434-E437 VanDerWaalsContact CD-OE2 3.28Å; K434-E437 WeakPolarHBondContact CD-OE2 3.44Å; K434-E437 IonicContact NZ-OE1 3.18Å; K434-E437 PolarHBondContact NZ-OE1 3.26Å; K434-E437 IonicContact NZ-OE2 3.42Å; K434-E437 PolarHBondContact NZ-OE2 3.5Å; K434-E437 PolarHBondContact O-N 3.49Å; K434-S438 PolarHBondContact O-N 2.85Å; K434-S438 PolarHBondContact O-OG 3.16Å
435P85.7Confident80.5Confident31 Ų3167.6 Ų67.620%0.20135%0.346CS..Hα-helixtrans-51.6-37.5-168.4-31.535000115S205 L439S205-P435 WeakPolarHBondContact OG-CG 3.29Å; P435-L439 VanDerWaalsContact O-CB 3.32Å; P435-L439 WeakPolarHBondContact O-CB 3.04Å; P435-L439 PolarHBondContact O-N 3.02Å
436L86.7Confident81.4Confident135 Ų13562.7 Ų62.771%0.70732%0.321SS*.Hα-helixtrans-71.1-40.6177.6-65.9175.9000113K434 L440K434-L436 PolarHBondContact O-N 2.82Å; L436-L440 WeakPolarHBondContact O-CG 3.32Å; L436-L440 PolarHBondContact O-N 3.33Å; L436-L440 VanDerWaalsContact O-N 3.09Å
437E87.9Confident82.4Confident87 Ų8763.5 Ų63.541%0.40733%0.325SS..Hα-helixtrans-66.8-42.7175.2-66-177.1-168.100109.9K434 L439 L440 D441K434-E437 HydrophobicContact CB-CB 4.01Å; K434-E437 HydrophobicContact CB-CG 4.09Å; K434-E437 HydrophobicContact CD-CG 4.14Å; K434-E437 VanDerWaalsContact CD-OE1 3.23Å; K434-E437 WeakPolarHBondContact CD-OE1 3.39Å; K434-E437 VanDerWaalsContact CD-OE2 3.28Å; K434-E437 WeakPolarHBondContact CD-OE2 3.44Å; K434-E437 IonicContact NZ-OE1 3.18Å; K434-E437 PolarHBondContact NZ-OE1 3.26Å; K434-E437 IonicContact NZ-OE2 3.42Å; K434-E437 PolarHBondContact NZ-OE2 3.5Å; K434-E437 PolarHBondContact O-N 3.49Å; E437-L439 PolarHBondContact O-N 3.2Å; E437-L440 PolarHBondContact O-N 3.5Å; E437-D441 WeakPolarHBondContact O-CB 3.09Å; E437-D441 PolarHBondContact O-N 3.23Å
438S86.9Confident83.6Confident5 Ų565.5 Ų65.54%0.03533%0.33CS..Hα-helixtrans-61.3-42.5175.8-57.30000112S214 D433 K434 D441 I442S214-S438 WeakPolarHBondContact O-CB 3.12Å; D433-S438 PolarHBondContact OD1-OG 2.83Å; K434-S438 PolarHBondContact O-N 2.85Å; K434-S438 PolarHBondContact O-OG 3.16Å; S438-D441 WeakPolarHBondContact O-CB 3.21Å; S438-D441 PolarHBondContact O-N 3.42Å; S438-I442 WeakPolarHBondContact O-CG1 3.11Å; S438-I442 PolarHBondContact O-N 3.1Å
439L87.5Confident84.7Confident56 Ų5659 Ų5929%0.29330%0.295SS..Hα-helixtrans-61.4-45.3174.4-178.763.8000112F215 P435 E437 D441 I442 L443F215-L439 HydrophobicContact CD2-CB 3.91Å; F215-L439 HydrophobicContact CD2-CD1 4.06Å; F215-L439 HydrophobicContact CE2-CB 3.86Å; F215-L439 HydrophobicContact CE2-CD1 4.08Å; F215-L439 HydrophobicContact CE2-CG 4.42Å; F215-L439 HydrophobicContact CG-CD1 4.28Å; F215-L439 HydrophobicContact CZ-CD1 4.3Å; P435-L439 VanDerWaalsContact O-CB 3.32Å; P435-L439 WeakPolarHBondContact O-CB 3.04Å; P435-L439 PolarHBondContact O-N 3.02Å; E437-L439 PolarHBondContact O-N 3.2Å; L439-D441 VanDerWaalsContact C-N 3.28Å; L439-D441 PolarHBondContact O-N 3Å; L439-I442 PolarHBondContact O-N 3.1Å; L439-L443 HydrophobicContact CG-CD1 4.29Å; L439-L443 WeakPolarHBondContact O-CG 3.18Å; L439-L443 PolarHBondContact O-N 2.86Å
440L88.4Confident85.8Confident66 Ų6655 Ų5535%0.34627%0.266SS..Hα-helixtrans-63-35.9175.9-73172.9000112L436 E437 L443 K444 I479L436-L440 WeakPolarHBondContact O-CG 3.32Å; L436-L440 PolarHBondContact O-N 3.33Å; L436-L440 VanDerWaalsContact O-N 3.09Å; E437-L440 PolarHBondContact O-N 3.5Å; L440-L443 HydrophobicContact CD2-CD1 4.22Å; L440-L443 PolarHBondContact O-N 3.37Å; L440-K444 VanDerWaalsContact O-CG 3.3Å; L440-K444 WeakPolarHBondContact O-CG 3.36Å; L440-K444 PolarHBondContact O-N 3.22Å; L440-I479 HydrophobicContact CD2-CD1 4.31Å; L440-I479 HydrophobicContact CD2-CG2 4.01Å
441D87.2Confident86.2Confident35 Ų3559 Ų5919%0.18728%0.281CS..Hα-helixtrans-65.4-43.9174.8-84.7-20.1000112R31 E437 S438 L439 K444 L445R31-D441 IonicContact CZ-OD1 2.66Å; R31-D441 IonicContact CZ-OD2 3.57Å; R31-D441 IonicContact NH1-OD1 3.56Å; R31-D441 IonicContact NH1-OD2 2.68Å; R31-D441 PolarHBondContact NH1-OD2 2.94Å; R31-D441 IonicContact NH2-OD1 2.99Å; R31-D441 PolarHBondContact NH2-OD1 3.47Å; R31-D441 IonicContact NH2-OD2 2.91Å; R31-D441 PolarHBondContact NH2-OD2 2.99Å; R31-D441 VanDerWaalsContact NH2-OD2 3.16Å; E437-D441 WeakPolarHBondContact O-CB 3.09Å; E437-D441 PolarHBondContact O-N 3.23Å; S438-D441 WeakPolarHBondContact O-CB 3.21Å; S438-D441 PolarHBondContact O-N 3.42Å; L439-D441 VanDerWaalsContact C-N 3.28Å; L439-D441 PolarHBondContact O-N 3Å; D441-K444 PolarHBondContact O-N 3.12Å; D441-L445 VanDerWaalsContact O-CB 3.28Å; D441-L445 WeakPolarHBondContact O-CB 3.48Å; D441-L445 PolarHBondContact O-N 3.26Å
442I87.9Confident86.4Confident2 Ų257.5 Ų57.51%0.0127%0.267CS..Hα-helixtrans-62.5-41.9173.9-64.9-30.3000111.2F215 W216 I219 I307 S438 L439 L445 G446F215-I442 HydrophobicContact CB-CG1 3.71Å; W216-I442 HydrophobicContact CD2-CD1 3.9Å; W216-I442 HydrophobicContact CG-CD1 4.06Å; W216-I442 HydrophobicContact CZ2-CD1 4.18Å; I219-I442 HydrophobicContact CD1-CD1 3.58Å; I219-I442 HydrophobicContact CD1-CG1 4.32Å; I219-I442 HydrophobicContact CD1-CG2 4.16Å; I307-I442 HydrophobicContact CG2-CG2 3.87Å; S438-I442 WeakPolarHBondContact O-CG1 3.11Å; S438-I442 PolarHBondContact O-N 3.1Å; L439-I442 PolarHBondContact O-N 3.1Å; I442-L445 WeakPolarHBondContact O-CB 3.26Å; I442-L445 PolarHBondContact O-N 3.38Å; I442-G446 PolarHBondContact O-N 2.98Å
443L88.8Confident86.4Confident47 Ų4751 Ų5125%0.24624%0.237CC..Hα-helixtrans-59.4-48.9175.8-75.8166.3000112.1I307 L439 L440 L445 G446 F447I307-L443 HydrophobicContact CB-CD2 4.4Å; I307-L443 HydrophobicContact CD1-CD2 3.24Å; I307-L443 HydrophobicContact CG1-CD2 3.69Å; I307-L443 HydrophobicContact CG2-CD2 3.85Å; I307-L443 HydrophobicContact CG2-CG 4.39Å; L439-L443 HydrophobicContact CG-CD1 4.29Å; L439-L443 WeakPolarHBondContact O-CG 3.18Å; L439-L443 PolarHBondContact O-N 2.86Å; L440-L443 HydrophobicContact CD2-CD1 4.22Å; L440-L443 PolarHBondContact O-N 3.37Å; L443-L445 VanDerWaalsContact C-N 3.29Å; L443-L445 PolarHBondContact O-N 3.24Å; L443-G446 PolarHBondContact O-N 3.21Å; L443-F447 PolarHBondContact O-N 3.3Å
444K88.3Confident86.2Confident123 Ų12350.6 Ų50.654%0.53524%0.235SC..Hα-helixtrans-61.7-39176.8-72.9170.9-174.6172.70111.7L440 D441 F447 R448L440-K444 VanDerWaalsContact O-CG 3.3Å; L440-K444 WeakPolarHBondContact O-CG 3.36Å; L440-K444 PolarHBondContact O-N 3.22Å; D441-K444 PolarHBondContact O-N 3.12Å; K444-F447 PolarHBondContact O-N 2.9Å; K444-R448 PolarHBondContact O-N 3.05Å
445L87Confident85.9Confident4 Ų449.6 Ų49.62%0.02123%0.233CC..Hα-helixtrans-66.2-44.5177.9-170.266.3000111.8L29 W216 I219 A314 D441 I442 L443 F447 R448 G449L29-L445 HydrophobicContact CB-CD1 4.01Å; L29-L445 HydrophobicContact CD1-CD1 4.18Å; L29-L445 HydrophobicContact CD1-CD2 3.57Å; L29-L445 HydrophobicContact CD1-CG 4.44Å; L29-L445 HydrophobicContact CD2-CD1 3.23Å; L29-L445 HydrophobicContact CD2-CD2 3.93Å; L29-L445 HydrophobicContact CD2-CG 3.92Å; L29-L445 HydrophobicContact CG-CD1 3.95Å; L29-L445 HydrophobicContact CG-CD2 4.26Å; W216-L445 HydrophobicContact CH2-CD2 4.27Å; I219-L445 HydrophobicContact CD1-CD2 3.52Å; A314-L445 HydrophobicContact CB-CD1 4.1Å; A314-L445 HydrophobicContact CB-CG 4.19Å; D441-L445 VanDerWaalsContact O-CB 3.28Å; D441-L445 WeakPolarHBondContact O-CB 3.48Å; D441-L445 PolarHBondContact O-N 3.26Å; I442-L445 WeakPolarHBondContact O-CB 3.26Å; I442-L445 PolarHBondContact O-N 3.38Å; L443-L445 VanDerWaalsContact C-N 3.29Å; L443-L445 PolarHBondContact O-N 3.24Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 PolarHBondContact O-N 3.11Å; L445-R448 PolarHBondContact O-N 3.34Å; L445-R448 VanDerWaalsContact O-N 3.17Å; L445-G449 PolarHBondContact O-N 3.41Å
446G86.7Confident85.6Confident2 Ų251.9 Ų51.92%0.02124%0.239CC..Hα-helixtrans-53.8-47.6173.400000111.8I442 L443 G449 Y450I442-G446 PolarHBondContact O-N 2.98Å; L443-G446 PolarHBondContact O-N 3.21Å; G446-G449 PolarHBondContact O-N 3.38Å; G446-Y450 WeakPolarHBondContact O-CD2 3.34Å; G446-Y450 PolarHBondContact O-N 2.83Å
447F85.5Confident85.1Confident50 Ų5045.8 Ų45.822%0.21921%0.209CC..Hα-helixtrans-62.3-45.3175.9-179.3-116.7000113.2L443 K444 L445 G449 Y450 R451 T469 V472L443-F447 PolarHBondContact O-N 3.3Å; K444-F447 PolarHBondContact O-N 2.9Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 PolarHBondContact O-N 3.11Å; F447-G449 VanDerWaalsContact C-N 3.28Å; F447-G449 PolarHBondContact O-N 3.02Å; F447-Y450 PolarHBondContact O-N 3.5Å; F447-R451 PolarHBondContact O-N 3.42Å; F447-T469 WeakPolarHBondContact CE2-O 3.29Å; F447-V472 HydrophobicContact CB-CG1 3.92Å; F447-V472 HydrophobicContact CD2-CB 3.58Å; F447-V472 HydrophobicContact CD2-CG1 3.26Å; F447-V472 HydrophobicContact CE2-CB 3.97Å; F447-V472 HydrophobicContact CE2-CG1 4.06Å; F447-V472 HydrophobicContact CG-CG1 3.94Å
448R85.6Confident84.4Confident112 Ų11244.9 Ų44.942%0.42321%0.21SC..Hα-helixtrans-58.9-41.5177.3-173.1-176.5-65.9163-2.5111.4L29 K444 L445 R451 H452L29-R448 PolarHBondContact O-NH1 3.29Å; K444-R448 PolarHBondContact O-N 3.05Å; L445-R448 PolarHBondContact O-N 3.34Å; L445-R448 VanDerWaalsContact O-N 3.17Å; R448-R451 PolarHBondContact O-N 2.91Å; R448-H452 PolarHBondContact O-N 3Å
449G85.6Confident83.7Confident0 Ų050.1 Ų50.10%025%0.247CC..Hα-helixtrans-60.3-46176.600000113G310 V313 L445 G446 F447 R451 H452 L453G310-G449 WeakPolarHBondContact O-CA 3.21Å; V313-G449 WeakPolarHBondContact CG1-O 3.27Å; L445-G449 PolarHBondContact O-N 3.41Å; G446-G449 PolarHBondContact O-N 3.38Å; F447-G449 VanDerWaalsContact C-N 3.28Å; F447-G449 PolarHBondContact O-N 3.02Å; G449-R451 VanDerWaalsContact C-N 3.34Å; G449-R451 PolarHBondContact O-N 3.26Å; G449-H452 PolarHBondContact O-N 3.32Å; G449-L453 WeakPolarHBondContact O-CB 3.46Å; G449-L453 PolarHBondContact O-N 3.35Å
450Y87.5Confident82.8Confident6 Ų652.4 Ų52.42%0.02427%0.268CS..Hα-helixtrans-64.5-37.7175.2-70.4-57.1000113.2V270 L306 G310 G446 F447 L453 A454V270-Y450 HydrophobicContact CG1-CE1 3.72Å; V270-Y450 HydrophobicContact CG2-CE1 3.88Å; L306-Y450 VanDerWaalsContact C-OH 3.3Å; L306-Y450 WeakPolarHBondContact CA-OH 3.44Å; L306-Y450 WeakPolarHBondContact O-CE2 3.41Å; L306-Y450 VanDerWaalsContact O-CZ 3.24Å; L306-Y450 PolarHBondContact O-OH 3.07Å; G310-Y450 PolarHBondContact N-OH 2.88Å; G446-Y450 WeakPolarHBondContact O-CD2 3.34Å; G446-Y450 PolarHBondContact O-N 2.83Å; F447-Y450 PolarHBondContact O-N 3.5Å; Y450-L453 PolarHBondContact O-N 3.02Å; Y450-A454 WeakPolarHBondContact O-CB 3.07Å; Y450-A454 PolarHBondContact O-N 3.2Å
451R85.2Confident82Confident136 Ų13651.4 Ų51.451%0.51326%0.264SS..Hα-helixtrans-62.6-50.5175.7-179.8178.9170.4169.9-1.6111.6F447 R448 G449 L453 A454 E455 T469F447-R451 PolarHBondContact O-N 3.42Å; R448-R451 PolarHBondContact O-N 2.91Å; G449-R451 VanDerWaalsContact C-N 3.34Å; G449-R451 PolarHBondContact O-N 3.26Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 3.27Å; R451-A454 WeakPolarHBondContact O-CB 3.24Å; R451-A454 PolarHBondContact O-N 3.46Å; R451-A454 VanDerWaalsContact O-N 3.13Å; R451-E455 WeakPolarHBondContact CG-OE1 3.25Å; R451-E455 IonicContact CZ-OE1 3.16Å; R451-E455 IonicContact NE-OE1 2.87Å; R451-E455 PolarHBondContact NE-OE1 2.83Å; R451-E455 IonicContact NH2-OE1 3.45Å; R451-E455 PolarHBondContact NH2-OE1 3.17Å; R451-E455 WeakPolarHBondContact O-CG 3.36Å; R451-E455 PolarHBondContact O-N 3.18Å; R451-T469 HydrophobicContact CB-CG2 4.3Å
452H81.3Confident81.3Confident44 Ų4452.9 Ų52.920%0.20427%0.269CS..Hα-helixtrans-61.5-42176.8-68174.5000111V317 R448 G449 A454 E455 F456V317-H452 HydrophobicContact CG2-CB 3.77Å; R448-H452 PolarHBondContact O-N 3Å; G449-H452 PolarHBondContact O-N 3.32Å; H452-A454 VanDerWaalsContact C-N 3.26Å; H452-A454 PolarHBondContact O-N 3.21Å; H452-E455 IonicContact CD2-OE2 3.44Å; H452-E455 PolarHBondContact O-N 2.89Å; H452-F456 HydrophobicContact CB-CD2 4.31Å; H452-F456 HydrophobicContact CB-CE2 4.41Å; H452-F456 WeakPolarHBondContact O-CD2 3.47Å; H452-F456 PolarHBondContact O-N 2.61Å
453L81.4Confident80.7Confident1 Ų155 Ų551%0.00529%0.292CS..Hα-helixtrans-58.8-38.8175.7-169.962.9000111.9W260 I267 V313 G449 Y450 R451 A457 F465W260-L453 HydrophobicContact CH2-CD1 3.95Å; W260-L453 HydrophobicContact CZ3-CD1 3.89Å; I267-L453 HydrophobicContact CD1-CD1 4.04Å; I267-L453 HydrophobicContact CG1-CD1 4.18Å; I267-L453 HydrophobicContact CG1-CD2 4.25Å; V313-L453 HydrophobicContact CG1-CB 3.86Å; V313-L453 HydrophobicContact CG1-CD1 4.24Å; V313-L453 HydrophobicContact CG1-CD2 3.92Å; V313-L453 HydrophobicContact CG1-CG 4.24Å; V313-L453 HydrophobicContact CG2-CD2 4.47Å; G449-L453 WeakPolarHBondContact O-CB 3.46Å; G449-L453 PolarHBondContact O-N 3.35Å; Y450-L453 PolarHBondContact O-N 3.02Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 3.27Å; L453-A457 WeakPolarHBondContact O-CA 3.31Å; L453-A457 WeakPolarHBondContact O-CB 3.17Å; L453-A457 PolarHBondContact O-N 3.24Å; L453-F465 HydrophobicContact CD2-CD1 3.6Å; L453-F465 HydrophobicContact CD2-CE1 3.12Å; L453-F465 HydrophobicContact CD2-CE2 4.19Å; L453-F465 HydrophobicContact CD2-CG 4.35Å; L453-F465 HydrophobicContact CD2-CZ 3.46Å; L453-F465 VanDerWaalsContact CD2-CZ 3.46Å; L453-F465 HydrophobicContact CG-CD1 3.96Å; L453-F465 HydrophobicContact CG-CD2 4.31Å; L453-F465 HydrophobicContact CG-CE1 3.83Å; L453-F465 HydrophobicContact CG-CE2 4.14Å; L453-F465 HydrophobicContact CG-CG 4.23Å; L453-F465 HydrophobicContact CG-CZ 3.91Å
454A82Confident80Confident7 Ų756.8 Ų56.86%0.05830%0.301CS..Hα-helixtrans-69.1-34.1174.500000113.5Y450 R451 H452 K462 F465 T469Y450-A454 WeakPolarHBondContact O-CB 3.07Å; Y450-A454 PolarHBondContact O-N 3.2Å; R451-A454 WeakPolarHBondContact O-CB 3.24Å; R451-A454 PolarHBondContact O-N 3.46Å; R451-A454 VanDerWaalsContact O-N 3.13Å; H452-A454 VanDerWaalsContact C-N 3.26Å; H452-A454 PolarHBondContact O-N 3.21Å; A454-K462 WeakPolarHBondContact O-CE 3.32Å; A454-F465 HydrophobicContact CB-CB 3.6Å; A454-T469 HydrophobicContact CB-CG2 4.04Å
455E81.2Confident79.3Confident92 Ų9251.1 Ų51.143%0.4328%0.276SS..Hα-helixtrans-69.8-45178.8-74.3168.9-17900111R451 H452R451-E455 WeakPolarHBondContact CG-OE1 3.25Å; R451-E455 IonicContact CZ-OE1 3.16Å; R451-E455 IonicContact NE-OE1 2.87Å; R451-E455 PolarHBondContact NE-OE1 2.83Å; R451-E455 IonicContact NH2-OE1 3.45Å; R451-E455 PolarHBondContact NH2-OE1 3.17Å; R451-E455 WeakPolarHBondContact O-CG 3.36Å; R451-E455 PolarHBondContact O-N 3.18Å; H452-E455 IonicContact CD2-OE2 3.44Å; H452-E455 PolarHBondContact O-N 2.89Å
456F79.6Confident78.8Confident79 Ų7957.9 Ų57.935%0.34630%0.301SS..Hα-helixtrans-89.5-13.7-178.7-66.3-75.1000114.6V258 W260 V317 H452V258-F456 HydrophobicContact CG2-CB 3.55Å; V258-F456 HydrophobicContact CG2-CD1 4.35Å; V258-F456 HydrophobicContact CG2-CD2 3.55Å; V258-F456 HydrophobicContact CG2-CE2 4.36Å; V258-F456 HydrophobicContact CG2-CG 3.57Å; W260-F456 HydrophobicContact CZ2-CB 4.1Å; W260-F456 VanDerWaalsContact CZ2-O 3.29Å; W260-F456 WeakPolarHBondContact CZ2-O 3.39Å; V317-F456 HydrophobicContact CG1-CE2 4.12Å; H452-F456 HydrophobicContact CB-CD2 4.31Å; H452-F456 HydrophobicContact CB-CE2 4.41Å; H452-F456 WeakPolarHBondContact O-CD2 3.47Å; H452-F456 PolarHBondContact O-N 2.61Å
457A76.4Confident78.4Confident8 Ų862.7 Ų62.77%0.06633%0.33CS..SBendtrans-53.7138.2-177.900000113.7L453 V461 K462 F465L453-A457 WeakPolarHBondContact O-CA 3.31Å; L453-A457 WeakPolarHBondContact O-CB 3.17Å; L453-A457 PolarHBondContact O-N 3.24Å; A457-V461 HydrophobicContact CB-CG2 3.96Å; A457-K462 HydrophobicContact CB-CB 4.4Å; A457-F465 HydrophobicContact CB-CD2 3.9Å; A457-F465 HydrophobicContact CB-CE2 4.43Å
458P72.9Confident77.8Confident67 Ų6761.1 Ų61.144%0.43532%0.323SS..  trans-52.3146.1164.2-23.933.1000111S460 V461 K462P458-S460 PolarHBondContact O-N 3.31Å; P458-V461 PolarHBondContact O-N 3.25Å; P458-K462 PolarHBondContact O-N 3.17Å
459S71.8Confident77.4Confident116 Ų11656.9 Ų56.981%0.81131%0.31SS*.THydrogen-bonded Turntrans-51.6-29.9-175.649.40000113.9V461S459-V461 PolarHBondContact O-N 2.76Å
460S68.2Low77.1Confident104 Ų10460.4 Ų60.473%0.72734%0.335SS*.THydrogen-bonded Turntrans-66.3-29.3179.354.20000115.2P458P458-S460 PolarHBondContact O-N 3.31Å
461V71.3Confident76.4Confident44 Ų4463.7 Ų63.727%0.26735%0.352SS..THydrogen-bonded Turntrans-113-7.6-177.2-670000113.3A457 P458 S459 G463 I464 F465A457-V461 HydrophobicContact CB-CG2 3.96Å; P458-V461 PolarHBondContact O-N 3.25Å; S459-V461 PolarHBondContact O-N 2.76Å; V461-G463 PolarHBondContact O-N 3.37Å; V461-G463 VanDerWaalsContact O-N 3.12Å; V461-I464 PolarHBondContact O-N 2.91Å; V461-I464 VanDerWaalsContact O-N 3.08Å; V461-F465 HydrophobicContact CB-CD2 4.17Å; V461-F465 HydrophobicContact CB-CE2 3.84Å; V461-F465 HydrophobicContact CG2-CD2 4.11Å; V461-F465 HydrophobicContact CG2-CE2 3.73Å; V461-F465 VanDerWaalsContact O-CD2 3.28Å; V461-F465 WeakPolarHBondContact O-CD2 3.35Å; V461-F465 PolarHBondContact O-N 2.84Å
462K74Confident75.6Confident67 Ų6758.8 Ų58.829%0.29134%0.337SS..Hα-helixtrans-54.9-32.9-179-165.7164.5-168.6159.50113.4A454 A457 P458 R466A454-K462 WeakPolarHBondContact O-CE 3.32Å; A457-K462 HydrophobicContact CB-CB 4.4Å; P458-K462 PolarHBondContact O-N 3.17Å; K462-R466 WeakPolarHBondContact O-CB 3.36Å; K462-R466 WeakPolarHBondContact O-CG 3.37Å; K462-R466 PolarHBondContact O-N 2.92Å
463G74.3Confident75.4Confident47 Ų4759.4 Ų59.449%0.48535%0.346SS..Hα-helixtrans-62.1-46.8176.500000113.1V461 F465 R466 V467V461-G463 PolarHBondContact O-N 3.37Å; V461-G463 VanDerWaalsContact O-N 3.12Å; G463-F465 VanDerWaalsContact C-N 3.34Å; G463-F465 PolarHBondContact O-N 3.23Å; G463-R466 PolarHBondContact O-N 3.42Å; G463-V467 WeakPolarHBondContact O-CG2 3.39Å; G463-V467 PolarHBondContact O-N 2.97Å; G463-V467 VanDerWaalsContact O-N 3.1Å
464I74.7Confident75.1Confident84 Ų8467.2 Ų67.243%0.43138%0.376SS..Hα-helixtrans-61.9-45.8179.7-58.7171.8000109.8L271 V461 V467 L468L271-I464 HydrophobicContact CD2-CG2 4.31Å; V461-I464 PolarHBondContact O-N 2.91Å; V461-I464 VanDerWaalsContact O-N 3.08Å; I464-V467 PolarHBondContact O-N 3.46Å; I464-L468 HydrophobicContact CG2-CD1 4.24Å; I464-L468 WeakPolarHBondContact O-CG 3.27Å; I464-L468 PolarHBondContact O-N 3.35Å; I464-L468 VanDerWaalsContact O-N 3.07Å
465F73.4Confident74.6Confident4 Ų470.4 Ų70.42%0.01840%0.395CS..Hα-helixtrans-69.1-33.5179.8-64-62.6000113.6I267 L453 A454 A457 V461 G463 L468 T469I267-F465 HydrophobicContact CG2-CZ 4.34Å; L453-F465 HydrophobicContact CD2-CD1 3.6Å; L453-F465 HydrophobicContact CD2-CE1 3.12Å; L453-F465 HydrophobicContact CD2-CE2 4.19Å; L453-F465 HydrophobicContact CD2-CG 4.35Å; L453-F465 HydrophobicContact CD2-CZ 3.46Å; L453-F465 VanDerWaalsContact CD2-CZ 3.46Å; L453-F465 HydrophobicContact CG-CD1 3.96Å; L453-F465 HydrophobicContact CG-CD2 4.31Å; L453-F465 HydrophobicContact CG-CE1 3.83Å; L453-F465 HydrophobicContact CG-CE2 4.14Å; L453-F465 HydrophobicContact CG-CG 4.23Å; L453-F465 HydrophobicContact CG-CZ 3.91Å; A454-F465 HydrophobicContact CB-CB 3.6Å; A457-F465 HydrophobicContact CB-CD2 3.9Å; A457-F465 HydrophobicContact CB-CE2 4.43Å; V461-F465 HydrophobicContact CB-CD2 4.17Å; V461-F465 HydrophobicContact CB-CE2 3.84Å; V461-F465 HydrophobicContact CG2-CD2 4.11Å; V461-F465 HydrophobicContact CG2-CE2 3.73Å; V461-F465 VanDerWaalsContact O-CD2 3.28Å; V461-F465 WeakPolarHBondContact O-CD2 3.35Å; V461-F465 PolarHBondContact O-N 2.84Å; G463-F465 VanDerWaalsContact C-N 3.34Å; G463-F465 PolarHBondContact O-N 3.23Å; F465-L468 HydrophobicContact CD1-CD1 3.7Å; F465-L468 HydrophobicContact CE1-CD1 4.15Å; F465-L468 WeakPolarHBondContact O-CB 3.48Å; F465-L468 PolarHBondContact O-N 3.22Å; F465-T469 WeakPolarHBondContact O-CG2 3.44Å; F465-T469 PolarHBondContact O-N 3.36Å; F465-T469 PolarHBondContact O-OG1 3.2Å
466R77.1Confident74Confident146 Ų14668.2 Ų68.255%0.55139%0.388SS*.Hα-helixtrans-61.9-47.5171.2-80.9-178.2-174.9166.1-0111.9K462 G463 L468 T469 S470K462-R466 WeakPolarHBondContact O-CB 3.36Å; K462-R466 WeakPolarHBondContact O-CG 3.37Å; K462-R466 PolarHBondContact O-N 2.92Å; G463-R466 PolarHBondContact O-N 3.42Å; R466-L468 VanDerWaalsContact C-N 3.25Å; R466-L468 PolarHBondContact O-N 3.39Å; R466-T469 WeakPolarHBondContact CA-OG1 3.46Å; R466-T469 PolarHBondContact O-N 3.13Å; R466-T469 VanDerWaalsContact O-N 3.13Å; R466-T469 PolarHBondContact O-OG1 3.4Å; R466-S470 PolarHBondContact O-N 3.3Å; R466-S470 PolarHBondContact O-OG 3.23Å
467V77.3Confident73.9Confident102 Ų10267.6 Ų67.662%0.61839%0.393SS*.Hα-helixtrans-57.5-42.3177.2173.70000110.8G463 I464 S470 L471G463-V467 WeakPolarHBondContact O-CG2 3.39Å; G463-V467 PolarHBondContact O-N 2.97Å; G463-V467 VanDerWaalsContact O-N 3.1Å; I464-V467 PolarHBondContact O-N 3.46Å; V467-S470 PolarHBondContact O-N 3.4Å; V467-L471 WeakPolarHBondContact O-CB 3.38Å; V467-L471 PolarHBondContact O-N 2.97Å
468L73.6Confident73.9Confident17 Ų1774 Ų749%0.08942%0.42CS..Hα-helixtrans-59.9-49.8174.6-73.2162.2000112.6L274 I464 F465 R466 S470 L471 V472L274-L468 HydrophobicContact CD1-CD1 3.25Å; L274-L468 HydrophobicContact CD1-CD2 3.5Å; L274-L468 VanDerWaalsContact CD1-CD2 3.5Å; L274-L468 HydrophobicContact CD1-CG 3.83Å; L274-L468 HydrophobicContact CD2-CD2 3.23Å; L274-L468 HydrophobicContact CD2-CG 4.42Å; L274-L468 HydrophobicContact CG-CD1 4.48Å; L274-L468 HydrophobicContact CG-CD2 3.94Å; I464-L468 HydrophobicContact CG2-CD1 4.24Å; I464-L468 WeakPolarHBondContact O-CG 3.27Å; I464-L468 PolarHBondContact O-N 3.35Å; I464-L468 VanDerWaalsContact O-N 3.07Å; F465-L468 HydrophobicContact CD1-CD1 3.7Å; F465-L468 HydrophobicContact CE1-CD1 4.15Å; F465-L468 WeakPolarHBondContact O-CB 3.48Å; F465-L468 PolarHBondContact O-N 3.22Å; R466-L468 VanDerWaalsContact C-N 3.25Å; R466-L468 PolarHBondContact O-N 3.39Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 2.97Å; L468-L471 PolarHBondContact O-N 3.37Å; L468-V472 WeakPolarHBondContact O-CG2 3.36Å; L468-V472 PolarHBondContact O-N 2.93Å
469T76.8Confident73.8Confident24 Ų2473.6 Ų73.615%0.14741%0.413CS..Hα-helixtrans-61.8-38.3179.156.10000111.6F447 R451 A454 F465 R466 S473F447-T469 WeakPolarHBondContact CE2-O 3.29Å; R451-T469 HydrophobicContact CB-CG2 4.3Å; A454-T469 HydrophobicContact CB-CG2 4.04Å; F465-T469 WeakPolarHBondContact O-CG2 3.44Å; F465-T469 PolarHBondContact O-N 3.36Å; F465-T469 PolarHBondContact O-OG1 3.2Å; R466-T469 WeakPolarHBondContact CA-OG1 3.46Å; R466-T469 PolarHBondContact O-N 3.13Å; R466-T469 VanDerWaalsContact O-N 3.13Å; R466-T469 PolarHBondContact O-OG1 3.4Å; T469-S473 VanDerWaalsContact O-CB 3.23Å; T469-S473 WeakPolarHBondContact O-CB 3.44Å; T469-S473 PolarHBondContact O-N 2.81Å; T469-S473 PolarHBondContact O-OG 3.18Å
470S78.7Confident73.7Confident73 Ų7374 Ų7451%0.5141%0.413SS..Hα-helixtrans-64.3-47.2174.9-62.70000111.5R466 V467 L468 V472 S473 W474R466-S470 PolarHBondContact O-N 3.3Å; R466-S470 PolarHBondContact O-OG 3.23Å; V467-S470 PolarHBondContact O-N 3.4Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 2.97Å; S470-V472 PolarHBondContact O-N 3.46Å; S470-S473 WeakPolarHBondContact CA-OG 3.29Å; S470-S473 PolarHBondContact O-N 3.41Å; S470-S473 PolarHBondContact O-OG 2.71Å; S470-W474 WeakPolarHBondContact O-CB 3.48Å; S470-W474 PolarHBondContact O-N 2.91Å
471L72.9Confident73.7Confident76 Ų7679.1 Ų79.140%0.39842%0.416SS..Hα-helixtrans-62.3-44.3179.6-174.2137.8000111.9F303 V467 L468 W474 V475F303-L471 HydrophobicContact CE1-CD2 4.24Å; V467-L471 WeakPolarHBondContact O-CB 3.38Å; V467-L471 PolarHBondContact O-N 2.97Å; L468-L471 PolarHBondContact O-N 3.37Å; L471-W474 WeakPolarHBondContact O-CB 3.35Å; L471-W474 PolarHBondContact O-N 3.3Å; L471-V475 WeakPolarHBondContact O-CG2 3.32Å; L471-V475 PolarHBondContact O-N 3.23Å
472V68.6Low73.3Confident33 Ų3387.4 Ų87.420%0.244%0.443CS..Hα-helixtrans-69-38.4177.2-177.80000111.1F447 L468 S470 W474 V475 V476F447-V472 HydrophobicContact CB-CG1 3.92Å; F447-V472 HydrophobicContact CD2-CB 3.58Å; F447-V472 HydrophobicContact CD2-CG1 3.26Å; F447-V472 HydrophobicContact CE2-CB 3.97Å; F447-V472 HydrophobicContact CE2-CG1 4.06Å; F447-V472 HydrophobicContact CG-CG1 3.94Å; L468-V472 WeakPolarHBondContact O-CG2 3.36Å; L468-V472 PolarHBondContact O-N 2.93Å; S470-V472 PolarHBondContact O-N 3.46Å; V472-W474 PolarHBondContact O-N 3.18Å; V472-V475 PolarHBondContact O-N 3.39Å; V472-V475 VanDerWaalsContact O-N 3.16Å; V472-V476 HydrophobicContact CG1-CG2 4.14Å; V472-V476 WeakPolarHBondContact O-CB 3.29Å; V472-V476 WeakPolarHBondContact O-CG2 3.15Å; V472-V476 PolarHBondContact O-N 2.92Å
473S76.9Confident72.4Confident56 Ų5690 Ų9039%0.39247%0.467SS..Hα-helixtrans-61.2-36.517574.50000112.1T469 S470 S477T469-S473 VanDerWaalsContact O-CB 3.23Å; T469-S473 WeakPolarHBondContact O-CB 3.44Å; T469-S473 PolarHBondContact O-N 2.81Å; T469-S473 PolarHBondContact O-OG 3.18Å; S470-S473 WeakPolarHBondContact CA-OG 3.29Å; S470-S473 PolarHBondContact O-N 3.41Å; S470-S473 PolarHBondContact O-OG 2.71Å; S473-S477 PolarHBondContact O-N 3.42Å
474W76.1Confident71.5Confident165 Ų16596.8 Ų96.863%0.62549%0.486SS*.Hα-helixtrans-66.1-44.7174179.878.8000111S470 L471 V472 S477 F478S470-W474 WeakPolarHBondContact O-CB 3.48Å; S470-W474 PolarHBondContact O-N 2.91Å; L471-W474 WeakPolarHBondContact O-CB 3.35Å; L471-W474 PolarHBondContact O-N 3.3Å; V472-W474 PolarHBondContact O-N 3.18Å; W474-S477 WeakPolarHBondContact O-CB 3.34Å; W474-S477 PolarHBondContact O-N 3.48Å; W474-S477 PolarHBondContact O-OG 2.91Å; W474-F478 HydrophobicContact CD2-CE2 4.03Å; W474-F478 AromaticContact CE2-CE2 3.7Å; W474-F478 HydrophobicContact CE3-CE2 4.37Å; W474-F478 HydrophobicContact CH2-CE2 4.15Å; W474-F478 AromaticContact CZ2-CE2 3.78Å; W474-F478 HydrophobicContact CZ2-CE2 3.78Å; W474-F478 AromaticContact CZ2-CZ 3.95Å; W474-F478 HydrophobicContact CZ2-CZ 3.95Å; W474-F478 HydrophobicContact CZ3-CE2 4.42Å; W474-F478 VanDerWaalsContact O-CD2 3.24Å; W474-F478 WeakPolarHBondContact O-CD2 3.47Å; W474-F478 WeakPolarHBondContact O-CE2 3.47Å
475V70.1Confident69.8Low74 Ų74104.3 Ų104.345%0.44851%0.509SS..Hα-helixtrans-62.4-45.1174.4174.30000111.9L471 V472 S477 F478L471-V475 WeakPolarHBondContact O-CG2 3.32Å; L471-V475 PolarHBondContact O-N 3.23Å; V472-V475 PolarHBondContact O-N 3.39Å; V472-V475 VanDerWaalsContact O-N 3.16Å; V475-S477 PolarHBondContact O-N 2.95Å; V475-F478 PolarHBondContact O-N 3.18Å; V475-F478 VanDerWaalsContact O-N 3.17Å
476V69.5Low68.2Low47 Ų47108.3 Ų108.329%0.28554%0.537SS..Hα-helixtrans-64.3-25.5179.2170.20000111.8V472 F478 I479V472-V476 HydrophobicContact CG1-CG2 4.14Å; V472-V476 WeakPolarHBondContact O-CB 3.29Å; V472-V476 WeakPolarHBondContact O-CG2 3.15Å; V472-V476 PolarHBondContact O-N 2.92Å; V476-F478 PolarHBondContact O-N 3.33Å; V476-I479 HydrophobicContact CB-CD1 4.41Å; V476-I479 HydrophobicContact CG1-CD1 4.26Å; V476-I479 HydrophobicContact CG2-CD1 4.29Å; V476-I479 WeakPolarHBondContact O-CB 3.25Å; V476-I479 PolarHBondContact O-N 2.92Å
477S76.9Confident66.4Low66 Ų66111 Ų11146%0.46256%0.556SS.*THydrogen-bonded Turntrans-62.4-22.5176.980.70000113.6S473 W474 V475 I479S473-S477 PolarHBondContact O-N 3.42Å; W474-S477 WeakPolarHBondContact O-CB 3.34Å; W474-S477 PolarHBondContact O-N 3.48Å; W474-S477 PolarHBondContact O-OG 2.91Å; V475-S477 PolarHBondContact O-N 2.95Å; S477-I479 VanDerWaalsContact C-N 3.34Å
478F75.7Confident64.5Low143 Ų143111.8 Ų111.863%0.62756%0.561SS**THydrogen-bonded Turntrans-83.7-6.5175.5-65-81.1000113.7W474 V475 V476W474-F478 HydrophobicContact CD2-CE2 4.03Å; W474-F478 AromaticContact CE2-CE2 3.7Å; W474-F478 HydrophobicContact CE3-CE2 4.37Å; W474-F478 HydrophobicContact CH2-CE2 4.15Å; W474-F478 AromaticContact CZ2-CE2 3.78Å; W474-F478 HydrophobicContact CZ2-CE2 3.78Å; W474-F478 AromaticContact CZ2-CZ 3.95Å; W474-F478 HydrophobicContact CZ2-CZ 3.95Å; W474-F478 HydrophobicContact CZ3-CE2 4.42Å; W474-F478 VanDerWaalsContact O-CD2 3.24Å; W474-F478 WeakPolarHBondContact O-CD2 3.47Å; W474-F478 WeakPolarHBondContact O-CE2 3.47Å; V475-F478 PolarHBondContact O-N 3.18Å; V475-F478 VanDerWaalsContact O-N 3.17Å; V476-F478 PolarHBondContact O-N 3.33Å
479I71.1Confident62.5Low57 Ų57115.5 Ų115.529%0.29259%0.594SS.*SBendtrans-74.9126178.7-60.4178.8000108.9L440 V476 S477 R481L440-I479 HydrophobicContact CD2-CD1 4.31Å; L440-I479 HydrophobicContact CD2-CG2 4.01Å; V476-I479 HydrophobicContact CB-CD1 4.41Å; V476-I479 HydrophobicContact CG1-CD1 4.26Å; V476-I479 HydrophobicContact CG2-CD1 4.29Å; V476-I479 WeakPolarHBondContact O-CB 3.25Å; V476-I479 PolarHBondContact O-N 2.92Å; S477-I479 VanDerWaalsContact C-N 3.34Å; I479-R481 PolarHBondContact O-N 3.31Å
480P70.1Confident60.4Low124 Ų124123.3 Ų123.381%0.80563%0.629SS**PPolyproline II helixtrans-56.2123.8177.8-22.130.9000111.2
481R67.5Low58.2Low213 Ų213125.2 Ų125.280%0.80464%0.64SS**PPolyproline II helixtrans-89.7132.9172.9-61-176.7-174.6-175.52.1108.6I479I479-R481 PolarHBondContact O-N 3.31Å
482R63.1Low56.3Low218 Ų218126.4 Ų126.482%0.82365%0.654SS**PPolyproline II helixtrans-65.9136.8165.1-73.4-174.8179.2171.32.5107.7E484R482-E484 PolarHBondContact O-N 3.13Å
483P56.9Low54.7Low122 Ų122132.4 Ų132.479%0.79269%0.686SS**PPolyproline II helixtrans-57.7130.3170.722.7-29.7000108.4R485P483-R485 PolarHBondContact O-N 2.91Å
484E53.4Low52.8Low189 Ų189138.5 Ų138.588%0.88371%0.708SS**PPolyproline II helixtrans-57.1126.7171.3-76.6175.6169.200107.7R482 S486R482-E484 PolarHBondContact O-N 3.13Å; E484-S486 PolarHBondContact O-N 2.83Å
485R39.4Very low50.8Low242 Ų242134.8 Ų134.891%0.91371%0.712SS**  trans-61.1114165.7-96.7-177.9171.9178.1-3.5106.1P483 E487P483-R485 PolarHBondContact O-N 2.91Å; R485-E487 PolarHBondContact O-N 3.07Å
486S39.7Very low49Very low88 Ų88139.8 Ų139.862%0.61574%0.735SS**  trans-49.412716454.10000108.1E484 T488E484-S486 PolarHBondContact O-N 2.83Å; S486-T488 PolarHBondContact O-N 2.97Å; S486-T488 PolarHBondContact O-OG1 3.12Å
487E39.3Very low47.3Very low201 Ų201142 Ų14294%0.93976%0.759SS**  trans-62.778.6171.3-69.5-179.7156.700109.2R485 A489R485-E487 PolarHBondContact O-N 3.07Å; E487-A489 PolarHBondContact O-N 3.45Å
488T38Very low45Very low120 Ų120148.1 Ų148.174%0.73678%0.78SS**  trans-8996.7164.738.50000107.5S486S486-T488 PolarHBondContact O-N 2.97Å; S486-T488 PolarHBondContact O-OG1 3.12Å
489A32.1Very low43.1Very low95 Ų95154.3 Ų154.379%0.78581%0.811SS**  trans24.5100.1155.100000116.6E487E487-A489 PolarHBondContact O-N 3.45Å
490Q32.6Very low41.7Very low187 Ų187159.2 Ų159.287%0.87484%0.837SS**  trans-76.8130.1156.7-86.8-177.7-47.900109.3
491P32.1Very low40.2Very low113 Ų113161.1 Ų161.173%0.73484%0.839SS**  trans-64.3148.4169.7-7.222.5000109.4D493P491-D493 PolarHBondContact O-N 3.38Å; P491-D493 VanDerWaalsContact O-N 3.08Å
492S33.9Very low38.7Very low101 Ų101158.2 Ų158.271%0.70684%0.841SS**  trans-51.5110.4173.351.10000112Q494S492-Q494 PolarHBondContact O-N 3.25Å
493D34.1Very low37.3Very low160 Ų160154.6 Ų154.686%0.85684%0.842SS**  trans-7079.7164.1-83.3-28.4000109P491P491-D493 PolarHBondContact O-N 3.38Å; P491-D493 VanDerWaalsContact O-N 3.08Å
494Q36.5Very low36.1Very low184 Ų184156.7 Ų156.786%0.8685%0.845SS**  trans-106.911.3169.4-110.7-172.2-10.300112.5S492S492-Q494 PolarHBondContact O-N 3.25Å
495A34.3Very low34.9Very low86 Ų86154.5 Ų154.571%0.71184%0.842SS**  trans-139.273.1-174.300000112.2
496L33.4Very low34.6Very low179 Ų179148.3 Ų148.394%0.93784%0.837SS**  trans-163.460.5156-102.1152.1000108.8
497A32.4Very low34.2Very low95 Ų95152.9 Ų152.979%0.78585%0.854SS**  trans-136.378.116500000107.1
498Q29.9Very low33.7Very low193 Ų193148.9 Ų148.990%0.90285%0.847SS**  trans-177.684.7162.8-103.2169.924.700109
499Q35.8Very low33.4Very low274 Ų274151.5 Ų151.5100%1.2886%0.857SS**  trans-171.10140.8-104.2177.71200110.1

Retrieved 499 of 499 residues in 429.5 ms (Link to these results)

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