A0A061ACP6_CAEEL Loading...

GB1/RHD3-type G domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACP6, Species CAEEL (Caenorhabditis elegans), Gene atln-2, Length 387 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
1M76.9Confident83.6Confident152 Ų15284.3 Ų84.375%0.74947%0.471SS*.  0135.30-64.7-77.2-82.700106.9M9 F10 A11M1-M9 HydrophobicContact CB-CE 3.91Å; M1-M9 HydrophobicContact CE-CB 3.81Å; M1-F10 CarbonylContact C-O 3.52Å; M1-F10 WeakPolarHBondContact CA-O 3.42Å; M1-A11 VanDerWaalsContact SD-CA 3.59Å; M1-A11 HydrophobicContact SD-CB 3.66Å
2I82.9Confident84.3Confident60 Ų6082.3 Ų82.331%0.30846%0.463SS..EExtended strand (participates in β ladder)trans-122.3136.4-179.5-58.5-172000107.3F10 V12 P179 L182I2-F10 PolarHBondContact N-O 3.38Å; I2-F10 PolarHBondContact O-N 3.32Å; I2-V12 HydrophobicContact CB-CG2 4.35Å; I2-V12 HydrophobicContact CD1-CB 4.5Å; I2-V12 HydrophobicContact CD1-CG2 3.64Å; I2-V12 HydrophobicContact CG1-CG2 3.87Å; I2-P179 HydrophobicContact CG2-CB 3.54Å; I2-L182 HydrophobicContact CD1-CD1 4.12Å
3E84.3Confident84.9Confident124 Ų12483.3 Ų83.358%0.57947%0.472SS*.EExtended strand (participates in β ladder)trans-81.1127.1174.6-168174.6179.300109.4M9E3-M9 HydrophobicContact CB-SD 3.68Å; E3-M9 HydrophobicContact CG-SD 3.93Å
4S80.8Confident85.5Confident11 Ų1187.1 Ų87.18%0.07749%0.489CS..  trans-75.6166.6174.377.20000110.7T6 G7 E8 F10S4-T6 PolarHBondContact O-N 3.17Å; S4-T6 VanDerWaalsContact O-N 3.14Å; S4-T6 PolarHBondContact OG-N 2.73Å; S4-T6 VanDerWaalsContact OG-N 3.12Å; S4-T6 PolarHBondContact OG-OG1 3.2Å; S4-G7 PolarHBondContact O-N 2.97Å; S4-G7 PolarHBondContact OG-N 3.11Å; S4-E8 WeakPolarHBondContact CB-O 3.48Å; S4-E8 PolarHBondContact N-O 3.25Å; S4-E8 PolarHBondContact OG-N 3.48Å; S4-E8 PolarHBondContact OG-O 2.98Å; S4-F10 VanDerWaalsContact CB-CE2 3.47Å
5V76.6Confident85.9Confident122 Ų12287.5 Ų87.574%0.73949%0.487SS*.THydrogen-bonded Turntrans-59.5-19.8169.5-90.80000113.8G7 H180V5-G7 VanDerWaalsContact C-N 3.35Å; V5-H180 HydrophobicContact CG1-CB 4.12Å
6T80.4Confident86.3Confident105 Ų10591.9 Ų91.964%0.64451%0.509SS*.THydrogen-bonded Turntrans-88.7-0.7176.1570000113.2S4 E8S4-T6 PolarHBondContact O-N 3.17Å; S4-T6 VanDerWaalsContact O-N 3.14Å; S4-T6 PolarHBondContact OG-N 2.73Å; S4-T6 VanDerWaalsContact OG-N 3.12Å; S4-T6 PolarHBondContact OG-OG1 3.2Å; T6-E8 VanDerWaalsContact C-N 3.28Å
7G81.1Confident86.3Confident44 Ų4489.8 Ų89.845%0.45450%0.5SS..SBendtrans78.98.8-174.900000113.8S4 V5S4-G7 PolarHBondContact O-N 2.97Å; S4-G7 PolarHBondContact OG-N 3.11Å; V5-G7 VanDerWaalsContact C-N 3.35Å
8E85Confident85.7Confident115 Ų11591.1 Ų91.154%0.53750%0.501SS..  trans-83.3139.2175-67.1-172.7144.600110.6S4 T6 F10S4-E8 WeakPolarHBondContact CB-O 3.48Å; S4-E8 PolarHBondContact N-O 3.25Å; S4-E8 PolarHBondContact OG-N 3.48Å; S4-E8 PolarHBondContact OG-O 2.98Å; T6-E8 VanDerWaalsContact C-N 3.28Å; E8-F10 HydrophobicContact CB-CD1 4.28Å; E8-F10 HydrophobicContact CB-CE1 3.63Å; E8-F10 HydrophobicContact CB-CZ 4.21Å
9M88.8Confident84.7Confident106 Ų10689.1 Ų89.152%0.52250%0.503SS..EExtended strand (participates in β ladder)trans-91.6113.4179.8-66.1-62.6-71.200110.9M1 E3M1-M9 HydrophobicContact CB-CE 3.91Å; M1-M9 HydrophobicContact CE-CB 3.81Å; E3-M9 HydrophobicContact CB-SD 3.68Å; E3-M9 HydrophobicContact CG-SD 3.93Å
10F90.5Very high83.5Confident39 Ų3987.4 Ų87.417%0.17150%0.495CS..EExtended strand (participates in β ladder)trans-97.2139.1178.8-61.6-19.8000112.3M1 I2 S4 E8 P184M1-F10 CarbonylContact C-O 3.52Å; M1-F10 WeakPolarHBondContact CA-O 3.42Å; I2-F10 PolarHBondContact N-O 3.38Å; I2-F10 PolarHBondContact O-N 3.32Å; S4-F10 VanDerWaalsContact CB-CE2 3.47Å; E8-F10 HydrophobicContact CB-CD1 4.28Å; E8-F10 HydrophobicContact CB-CE1 3.63Å; E8-F10 HydrophobicContact CB-CZ 4.21Å; F10-P184 HydrophobicContact CZ-CG 4.37Å
11A92.1Very high82.4Confident49 Ų4987.6 Ų87.641%0.40549%0.491SS..PPolyproline II helixtrans-87.4124.8165.700000108.9M1 C194M1-A11 VanDerWaalsContact SD-CA 3.59Å; M1-A11 HydrophobicContact SD-CB 3.66Å; A11-C194 WeakPolarHBondContact CB-SG 3.47Å
12V92.2Very high81.8Confident61 Ų6183.1 Ų83.137%0.3747%0.47SS..PPolyproline II helixtrans-102.4126.7177.4-178.20000109I2 L14 L182I2-V12 HydrophobicContact CB-CG2 4.35Å; I2-V12 HydrophobicContact CD1-CB 4.5Å; I2-V12 HydrophobicContact CD1-CG2 3.64Å; I2-V12 HydrophobicContact CG1-CG2 3.87Å; V12-L14 HydrophobicContact CG1-CD2 4.38Å; V12-L182 HydrophobicContact CG2-CD1 3.87Å
13V92.4Very high81Confident95 Ų9588.4 Ų88.458%0.57650%0.499SS*.  trans-115.8124.4175.8-179.20000107.2
14L92.9Very high80.3Confident136 Ų13689.6 Ų89.671%0.71251%0.509SS*.  trans-97.8125.2169.3-60179.3000107.5V12V12-L14 HydrophobicContact CG1-CD2 4.38Å
15M92.3Very high80.1Confident93 Ų9390.3 Ų90.346%0.45851%0.514SS..  trans-113.9114.2178.7-176.3-176.6-68.200107.6V40 F201M15-V40 HydrophobicContact CE-CB 4.48Å; M15-V40 HydrophobicContact CE-CG1 3.97Å; M15-F201 HydrophobicContact CE-CE2 4.15Å
16D91.3Very high80.3Confident159 Ų15987.7 Ų87.785%0.8550%0.499SS*.  trans-94.3136.7168.7-168.322.7000108.5
17T86.4Confident80.4Confident56 Ų5688.1 Ų88.134%0.34449%0.489SS..  trans-111145.3-177.855.70000109.4G19 V33T17-G19 PolarHBondContact O-N 3.03Å; T17-V33 HydrophobicContact CG2-CG1 4.1Å
18Q75.8Confident80.4Confident112 Ų11289.7 Ų89.752%0.52349%0.485SS..PPolyproline II helixtrans-54.5135.2167.8-173.9176.6-8.800109.1T20 D22 S25Q18-T20 PolarHBondContact O-N 3.09Å; Q18-D22 PolarHBondContact NE2-OD2 2.86Å; Q18-S25 PolarHBondContact NE2-OG 3.38Å
19G66.1Low80.3Confident53 Ų5389 Ų8955%0.54648%0.482SS..PPolyproline II helixtrans-54.9127.5177.400000109.9T17T17-G19 PolarHBondContact O-N 3.03Å
20T61.9Low80.1Confident56 Ų5684.2 Ų84.234%0.34446%0.459SS..THydrogen-bonded Turntrans-65.6142174.749.80000109.2Q18 C30Q18-T20 PolarHBondContact O-N 3.09Å; T20-C30 HydrophobicContact CG2-CB 3.91Å
21F59.8Low79.8Confident92 Ų9283 Ų8340%0.40445%0.454SS..THydrogen-bonded Turntrans69.341.9175-40.7-65000115.2Y27 C30 H59F21-Y27 AromaticContact CD1-CD2 3.99Å; F21-Y27 HydrophobicContact CD1-CD2 3.99Å; F21-Y27 HydrophobicContact CD1-CE2 4.49Å; F21-Y27 AromaticContact CE1-CD2 3.3Å; F21-Y27 HydrophobicContact CE1-CD2 3.3Å; F21-Y27 AromaticContact CE1-CE2 3.49Å; F21-Y27 HydrophobicContact CE1-CE2 3.49Å; F21-Y27 VanDerWaalsContact CE1-CE2 3.49Å; F21-Y27 HydrophobicContact CE1-CG 4.26Å; F21-Y27 HydrophobicContact CZ-CD2 4.2Å; F21-Y27 AromaticContact CZ-CE2 3.94Å; F21-Y27 HydrophobicContact CZ-CE2 3.94Å; F21-C30 HydrophobicContact CD1-CB 4.12Å; F21-C30 HydrophobicContact CE1-CB 3.84Å; F21-C30 HydrophobicContact CZ-CB 4.32Å; F21-C30 PolarHBondContact N-SG 3.13Å; F21-H59 AromaticContact CE2-CE1 3.49Å; F21-H59 VanDerWaalsContact CE2-CE1 3.49Å; F21-H59 WeakPolarHBondContact CE2-CE1 3.49Å; F21-H59 AromaticContact CZ-CE1 3.27Å; F21-H59 WeakPolarHBondContact CZ-CE1 3.4Å; F21-H59 AromaticContact CZ-NE2 3.54Å
22D64.4Low79.7Confident58 Ų5881.9 Ų81.931%0.3144%0.442SS..  trans-74.7164.2163.575.423000111.7Q18 N24 S25Q18-D22 PolarHBondContact NE2-OD2 2.86Å; D22-N24 PolarHBondContact O-N 3.12Å; D22-N24 VanDerWaalsContact O-N 3.07Å; D22-N24 PolarHBondContact OD1-N 3.37Å; D22-S25 WeakPolarHBondContact OD1-CB 3.26Å; D22-S25 PolarHBondContact OD1-N 3.12Å; D22-S25 PolarHBondContact OD1-OG 3.11Å
23N65.3Low79.5Confident171 Ų17181.4 Ų81.491%0.91444%0.439SS*.THydrogen-bonded Turntrans-67.6-7.6-176.8-71.4-16.5000114.1
24N70.4Confident79.4Confident148 Ų14877.4 Ų77.479%0.79141%0.414SS*.THydrogen-bonded Turntrans-112.1-19.4-171.9-64.6-29.2000112.6D22D22-N24 PolarHBondContact O-N 3.12Å; D22-N24 VanDerWaalsContact O-N 3.07Å; D22-N24 PolarHBondContact OD1-N 3.37Å
25S76.7Confident79.3Confident27 Ų2771 Ų7119%0.18938%0.38CS..SBendtrans-101140.1-178.7-70.50000111.5Q18 D22Q18-S25 PolarHBondContact NE2-OG 3.38Å; D22-S25 WeakPolarHBondContact OD1-CB 3.26Å; D22-S25 PolarHBondContact OD1-N 3.12Å; D22-S25 PolarHBondContact OD1-OG 3.11Å
26T81.6Confident79.2Confident67 Ų6767.6 Ų67.641%0.41136%0.363SS..  trans-72.9154.7175.468.40000110.3Q28 Q29 C30T26-Q28 PolarHBondContact O-N 3.22Å; T26-Q28 VanDerWaalsContact O-N 3.15Å; T26-Q29 PolarHBondContact O-N 3.22Å; T26-Q29 VanDerWaalsContact O-N 3.09Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.44Å; T26-Q29 PolarHBondContact OG1-N 2.96Å; T26-C30 PolarHBondContact O-N 2.87Å; T26-C30 VanDerWaalsContact O-N 3.14Å; T26-C30 PolarHBondContact O-SG 3.32Å
27Y81.3Confident79.2Confident114 Ų11460.1 Ų60.145%0.44732%0.324SS..Hα-helixtrans-50.4-39.3172.5-180-94.1000111.8F21 C30 M31 H59 L213F21-Y27 AromaticContact CD1-CD2 3.99Å; F21-Y27 HydrophobicContact CD1-CD2 3.99Å; F21-Y27 HydrophobicContact CD1-CE2 4.49Å; F21-Y27 AromaticContact CE1-CD2 3.3Å; F21-Y27 HydrophobicContact CE1-CD2 3.3Å; F21-Y27 AromaticContact CE1-CE2 3.49Å; F21-Y27 HydrophobicContact CE1-CE2 3.49Å; F21-Y27 VanDerWaalsContact CE1-CE2 3.49Å; F21-Y27 HydrophobicContact CE1-CG 4.26Å; F21-Y27 HydrophobicContact CZ-CD2 4.2Å; F21-Y27 AromaticContact CZ-CE2 3.94Å; F21-Y27 HydrophobicContact CZ-CE2 3.94Å; Y27-C30 WeakPolarHBondContact O-CB 3.41Å; Y27-C30 PolarHBondContact O-N 3.48Å; Y27-M31 HydrophobicContact CD1-CG 4.16Å; Y27-M31 HydrophobicContact CE1-CG 3.66Å; Y27-M31 WeakPolarHBondContact O-CG 3.42Å; Y27-M31 PolarHBondContact O-N 3.2Å; Y27-H59 AromaticContact CE2-NE2 3.65Å; Y27-H59 AromaticContact CZ-NE2 3.78Å; Y27-H59 PolarHBondContact OH-CD2 3.42Å; Y27-H59 PolarHBondContact OH-NE2 3.36Å; Y27-H59 VanDerWaalsContact OH-NE2 3.13Å; Y27-L213 HydrophobicContact CD1-CD2 4.28Å; Y27-L213 HydrophobicContact CE1-CD2 4.31Å
28Q81.9Confident79.5Confident76 Ų7657.7 Ų57.736%0.35531%0.309SS..Hα-helixtrans-65-45.8178.8-60.7174.3-39.600112.5T26 C30 M31 T32 E211 L213T26-Q28 PolarHBondContact O-N 3.22Å; T26-Q28 VanDerWaalsContact O-N 3.15Å; Q28-C30 PolarHBondContact O-N 3.02Å; Q28-M31 PolarHBondContact O-N 3.46Å; Q28-T32 PolarHBondContact O-N 2.88Å; Q28-T32 PolarHBondContact O-OG1 3.37Å; Q28-E211 PolarHBondContact NE2-O 3.47Å; Q28-E211 PolarHBondContact OE1-O 3.36Å; Q28-L213 HydrophobicContact CB-CD2 4.15Å; Q28-L213 HydrophobicContact CG-CD2 3.79Å; Q28-L213 HydrophobicContact CG-CG 4.16Å
29Q82.6Confident80.2Confident102 Ų10252.7 Ų52.748%0.47729%0.286SS..Hα-helixtrans-59.4-40.7176.8-74.3170.2-18.800111.1T26 T32 V33T26-Q29 PolarHBondContact O-N 3.22Å; T26-Q29 VanDerWaalsContact O-N 3.09Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.44Å; T26-Q29 PolarHBondContact OG1-N 2.96Å; Q29-T32 PolarHBondContact O-N 3.09Å; Q29-V33 WeakPolarHBondContact O-CG2 3.09Å; Q29-V33 PolarHBondContact O-N 3.25Å
30C84Confident81.4Confident5 Ų550.7 Ų50.73%0.03426%0.263CS..Hα-helixtrans-62.5-46.3176.8-59.80000111.5T20 F21 T26 Y27 Q28 T32 V33 F34T20-C30 HydrophobicContact CG2-CB 3.91Å; F21-C30 HydrophobicContact CD1-CB 4.12Å; F21-C30 HydrophobicContact CE1-CB 3.84Å; F21-C30 HydrophobicContact CZ-CB 4.32Å; F21-C30 PolarHBondContact N-SG 3.13Å; T26-C30 PolarHBondContact O-N 2.87Å; T26-C30 VanDerWaalsContact O-N 3.14Å; T26-C30 PolarHBondContact O-SG 3.32Å; Y27-C30 WeakPolarHBondContact O-CB 3.41Å; Y27-C30 PolarHBondContact O-N 3.48Å; Q28-C30 PolarHBondContact O-N 3.02Å; C30-T32 PolarHBondContact O-N 3.04Å; C30-V33 PolarHBondContact O-N 3.42Å; C30-F34 WeakPolarHBondContact O-CB 3.42Å; C30-F34 PolarHBondContact O-N 2.83Å
31M85.4Confident82.9Confident14 Ų1449.2 Ų49.27%0.06926%0.255CS..Hα-helixtrans-64.2-37.5176.7-74.3-53.7-6000112.9Y27 Q28 F34 A35 H59 L213 P214Y27-M31 HydrophobicContact CD1-CG 4.16Å; Y27-M31 HydrophobicContact CE1-CG 3.66Å; Y27-M31 WeakPolarHBondContact O-CG 3.42Å; Y27-M31 PolarHBondContact O-N 3.2Å; Q28-M31 PolarHBondContact O-N 3.46Å; M31-F34 HydrophobicContact CE-CD1 4.29Å; M31-F34 PolarHBondContact O-N 3.03Å; M31-A35 VanDerWaalsContact O-CB 3.24Å; M31-A35 WeakPolarHBondContact O-CB 3.29Å; M31-A35 PolarHBondContact O-N 3.07Å; M31-H59 HydrophobicContact CE-CB 3.92Å; M31-H59 HydrophobicContact SD-CB 3.96Å; M31-H59 PolarHBondContact SD-CD2 3.37Å; M31-L213 HydrophobicContact CB-CD2 4.19Å; M31-L213 HydrophobicContact CG-CD2 4.37Å; M31-P214 HydrophobicContact CB-CG 4.48Å
32T88.2Confident84.6Confident25 Ų2546.3 Ų46.315%0.15325%0.246CC..Hα-helixtrans-66.6-44175.9-63.10000111.7Q28 Q29 C30 F34 A35 L36 F208Q28-T32 PolarHBondContact O-N 2.88Å; Q28-T32 PolarHBondContact O-OG1 3.37Å; Q29-T32 PolarHBondContact O-N 3.09Å; C30-T32 PolarHBondContact O-N 3.04Å; T32-F34 VanDerWaalsContact C-N 3.34Å; T32-A35 PolarHBondContact O-N 3.38Å; T32-L36 HydrophobicContact CG2-CD1 4.03Å; T32-L36 WeakPolarHBondContact O-CB 3.44Å; T32-L36 WeakPolarHBondContact O-CG 3.38Å; T32-L36 PolarHBondContact O-N 3.36Å; T32-F208 HydrophobicContact CG2-CB 3.78Å; T32-F208 HydrophobicContact CG2-CD2 4.41Å; T32-F208 HydrophobicContact CG2-CG 4.39Å
33V89.3Confident86Confident50 Ų5045 Ų4530%0.30324%0.24SC..Hα-helixtrans-62-44.5175.2171.50000110.5T17 Q29 C30 L36 S37T17-V33 HydrophobicContact CG2-CG1 4.1Å; Q29-V33 WeakPolarHBondContact O-CG2 3.09Å; Q29-V33 PolarHBondContact O-N 3.25Å; C30-V33 PolarHBondContact O-N 3.42Å; V33-L36 PolarHBondContact O-N 3.2Å; V33-S37 WeakPolarHBondContact O-CB 3.49Å; V33-S37 PolarHBondContact O-N 3.12Å; V33-S37 PolarHBondContact O-OG 3.47Å
34F89.4Confident87.4Confident12 Ų1237.8 Ų37.85%0.05320%0.201CC..Hα-helixtrans-60.9-50.4176.7-177.2-119.2000111.6C30 M31 T32 L36 S37 T38 Y46 H59 L60 F63C30-F34 WeakPolarHBondContact O-CB 3.42Å; C30-F34 PolarHBondContact O-N 2.83Å; M31-F34 HydrophobicContact CE-CD1 4.29Å; M31-F34 PolarHBondContact O-N 3.03Å; T32-F34 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 3.19Å; F34-S37 PolarHBondContact O-N 3.22Å; F34-S37 PolarHBondContact O-OG 3.32Å; F34-T38 PolarHBondContact O-N 3Å; F34-T38 PolarHBondContact O-OG1 3.47Å; F34-T38 VanDerWaalsContact O-OG1 3.08Å; F34-Y46 AromaticContact CE2-CD2 3.89Å; F34-Y46 HydrophobicContact CE2-CD2 3.89Å; F34-Y46 AromaticContact CE2-CE2 3.96Å; F34-Y46 HydrophobicContact CE2-CE2 3.96Å; F34-Y46 HydrophobicContact CE2-CG 4.23Å; F34-Y46 HydrophobicContact CZ-CD1 4.3Å; F34-Y46 HydrophobicContact CZ-CD2 4.3Å; F34-Y46 HydrophobicContact CZ-CE1 4.16Å; F34-Y46 HydrophobicContact CZ-CE2 4.16Å; F34-Y46 HydrophobicContact CZ-CG 4.36Å; F34-H59 HydrophobicContact CD1-CB 4.18Å; F34-H59 HydrophobicContact CE1-CB 3.8Å; F34-L60 HydrophobicContact CE1-CD2 4.06Å; F34-L60 HydrophobicContact CZ-CD2 3.81Å; F34-F63 HydrophobicContact CD1-CE2 4.04Å; F34-F63 HydrophobicContact CD1-CZ 4.21Å; F34-F63 AromaticContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CZ 4.13Å; F34-F63 HydrophobicContact CZ-CE2 4.1Å
35A90.3Very high88.6Confident0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-56-48.4176.600000112.5M31 T32 S37 T38 I39 L62 F63 F208 P214M31-A35 VanDerWaalsContact O-CB 3.24Å; M31-A35 WeakPolarHBondContact O-CB 3.29Å; M31-A35 PolarHBondContact O-N 3.07Å; T32-A35 PolarHBondContact O-N 3.38Å; A35-S37 PolarHBondContact O-N 3.28Å; A35-T38 PolarHBondContact O-N 3.12Å; A35-I39 WeakPolarHBondContact O-CB 3.42Å; A35-I39 VanDerWaalsContact O-CD1 3.31Å; A35-I39 WeakPolarHBondContact O-CD1 3.45Å; A35-I39 WeakPolarHBondContact O-CG1 3.49Å; A35-I39 PolarHBondContact O-N 3.27Å; A35-L62 HydrophobicContact CB-CD2 3.81Å; A35-F63 HydrophobicContact CB-CE1 4.5Å; A35-F208 HydrophobicContact CB-CE2 4.27Å; A35-F208 HydrophobicContact CB-CZ 4.31Å; A35-P214 HydrophobicContact CB-CB 4.34Å; A35-P214 HydrophobicContact CB-CG 4.17Å
36L90.6Very high89.5Confident22 Ų2233.9 Ų33.912%0.11518%0.176CC..Hα-helixtrans-61.4-44.7177.5-78.1170.8000112.1T32 V33 F34 T38 V40 F208T32-L36 HydrophobicContact CG2-CD1 4.03Å; T32-L36 WeakPolarHBondContact O-CB 3.44Å; T32-L36 WeakPolarHBondContact O-CG 3.38Å; T32-L36 PolarHBondContact O-N 3.36Å; V33-L36 PolarHBondContact O-N 3.2Å; F34-L36 PolarHBondContact O-N 3.19Å; L36-T38 PolarHBondContact O-N 3.17Å; L36-V40 WeakPolarHBondContact O-CB 3.4Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 2.86Å; L36-V40 VanDerWaalsContact O-N 3.11Å; L36-F208 HydrophobicContact CD1-CD2 4.37Å; L36-F208 HydrophobicContact CD2-CD2 3.58Å; L36-F208 HydrophobicContact CD2-CE2 3.76Å; L36-F208 HydrophobicContact CG-CD2 3.7Å; L36-F208 HydrophobicContact CG-CE2 3.98Å
37S92.4Very high90.1Very high3 Ų334.5 Ų34.52%0.02118%0.177CC..Hα-helixtrans-60.3-46.9-18073.40000111.3V33 F34 A35 V40 S41 Q44V33-S37 WeakPolarHBondContact O-CB 3.49Å; V33-S37 PolarHBondContact O-N 3.12Å; V33-S37 PolarHBondContact O-OG 3.47Å; F34-S37 PolarHBondContact O-N 3.22Å; F34-S37 PolarHBondContact O-OG 3.32Å; A35-S37 PolarHBondContact O-N 3.28Å; S37-V40 PolarHBondContact O-N 2.92Å; S37-S41 WeakPolarHBondContact O-CB 3.36Å; S37-S41 PolarHBondContact O-N 3.16Å; S37-S41 PolarHBondContact O-OG 2.87Å; S37-Q44 VanDerWaalsContact C-OE1 3.31Å; S37-Q44 PolarHBondContact O-OE1 3.41Å; S37-Q44 PolarHBondContact OG-NE2 3.12Å; S37-Q44 VanDerWaalsContact OG-NE2 3.14Å
38T91.9Very high90.7Very high4 Ų429.8 Ų29.83%0.02516%0.159CC..Hα-helixtrans-68.1-40.9-178.7-55.30000112.8F34 A35 L36 V40 S41 Q44 F63 F81 F133F34-T38 PolarHBondContact O-N 3Å; F34-T38 PolarHBondContact O-OG1 3.47Å; F34-T38 VanDerWaalsContact O-OG1 3.08Å; A35-T38 PolarHBondContact O-N 3.12Å; L36-T38 PolarHBondContact O-N 3.17Å; T38-V40 VanDerWaalsContact C-N 3.32Å; T38-V40 PolarHBondContact O-N 3.18Å; T38-S41 PolarHBondContact O-OG 2.88Å; T38-Q44 HydrophobicContact CG2-CB 4.5Å; T38-Q44 HydrophobicContact CG2-CG 4.32Å; T38-F63 HydrophobicContact CG2-CD1 4.2Å; T38-F63 HydrophobicContact CG2-CD2 4.26Å; T38-F63 HydrophobicContact CG2-CE1 3.77Å; T38-F63 HydrophobicContact CG2-CE2 3.84Å; T38-F63 HydrophobicContact CG2-CG 4.44Å; T38-F63 HydrophobicContact CG2-CZ 3.58Å; T38-F63 WeakPolarHBondContact OG1-CZ 3.46Å; T38-F81 HydrophobicContact CG2-CD1 4.38Å; T38-F133 HydrophobicContact CG2-CE1 4.39Å; T38-F133 HydrophobicContact CG2-CZ 4.43Å
39I91.1Very high91.1Very high8 Ų830 Ų304%0.04117%0.166CC..Hα-helixtrans-68.4-36.8-179.3-65.5161.5000110.6A35 F63 F81 K185 Y204 F208 I219A35-I39 WeakPolarHBondContact O-CB 3.42Å; A35-I39 VanDerWaalsContact O-CD1 3.31Å; A35-I39 WeakPolarHBondContact O-CD1 3.45Å; A35-I39 WeakPolarHBondContact O-CG1 3.49Å; A35-I39 PolarHBondContact O-N 3.27Å; I39-F63 HydrophobicContact CG1-CE1 4.3Å; I39-F81 HydrophobicContact CG1-CE1 4.27Å; I39-K185 WeakPolarHBondContact O-CE 3.2Å; I39-K185 PolarHBondContact O-NZ 3.01Å; I39-Y204 HydrophobicContact CG2-CD1 4.23Å; I39-Y204 HydrophobicContact CG2-CD2 3.84Å; I39-Y204 HydrophobicContact CG2-CE1 3.87Å; I39-Y204 HydrophobicContact CG2-CE2 3.43Å; I39-Y204 VanDerWaalsContact CG2-CE2 3.43Å; I39-Y204 HydrophobicContact CG2-CG 4.24Å; I39-Y204 VanDerWaalsContact CG2-CZ 3.44Å; I39-F208 HydrophobicContact CD1-CE2 3.94Å; I39-F208 HydrophobicContact CD1-CZ 3.76Å; I39-I219 HydrophobicContact CD1-CD1 3.6Å; I39-I219 HydrophobicContact CD1-CG1 3.74Å; I39-I219 HydrophobicContact CD1-CG2 4.04Å; I39-I219 HydrophobicContact CG1-CD1 4.46Å
40V91.4Very high91.6Very high10 Ų1028.1 Ų28.16%0.06116%0.159CC..Hα-helixtrans-84.6-31-175.9177.50000112.2M15 L36 S37 T38 K185 M197 F201 Y204M15-V40 HydrophobicContact CE-CB 4.48Å; M15-V40 HydrophobicContact CE-CG1 3.97Å; L36-V40 WeakPolarHBondContact O-CB 3.4Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 2.86Å; L36-V40 VanDerWaalsContact O-N 3.11Å; S37-V40 PolarHBondContact O-N 2.92Å; T38-V40 VanDerWaalsContact C-N 3.32Å; T38-V40 PolarHBondContact O-N 3.18Å; V40-K185 WeakPolarHBondContact O-CE 3.23Å; V40-M197 HydrophobicContact CG1-CG 4.25Å; V40-M197 HydrophobicContact CG1-SD 4.48Å; V40-F201 HydrophobicContact CG1-CD2 4.32Å; V40-F201 HydrophobicContact CG2-CD2 3.98Å; V40-Y204 HydrophobicContact CG2-CD2 4.04Å; V40-Y204 HydrophobicContact CG2-CE2 4.49Å
41S93.4Very high92.1Very high26 Ų2631.5 Ų31.518%0.18218%0.177CC..  trans-74.7147-178.266.90000112.7S37 T38 Q44 K185S37-S41 WeakPolarHBondContact O-CB 3.36Å; S37-S41 PolarHBondContact O-N 3.16Å; S37-S41 PolarHBondContact O-OG 2.87Å; T38-S41 PolarHBondContact O-OG 2.88Å; S41-Q44 PolarHBondContact OG-OE1 3.31Å; S41-K185 WeakPolarHBondContact O-CE 3.28Å; S41-K185 PolarHBondContact O-NZ 3.29Å
42S94Very high92.5Very high31 Ų3131.3 Ų31.322%0.21718%0.176CC..SBendtrans-86.8-27.8164.752.20000111.7Q82 Q83S42-Q82 VanDerWaalsContact CB-OE1 3.31Å; S42-Q82 VanDerWaalsContact O-CB 3.28Å; S42-Q82 WeakPolarHBondContact O-CB 3.5Å; S42-Q83 PolarHBondContact O-N 3.48Å; S42-Q83 VanDerWaalsContact O-N 3.11Å
43V94.7Very high92.6Very high30 Ų3035.6 Ų35.618%0.18219%0.194CC..EExtended strand (participates in β ladder)trans-128112.8174.3-174.30000107.7I45 Q83 V85V43-I45 HydrophobicContact CG1-CG1 4.48Å; V43-Q83 HydrophobicContact CG1-CB 4.47Å; V43-Q83 HydrophobicContact CG1-CG 4.42Å; V43-Q83 HydrophobicContact CG2-CB 4.34Å; V43-V85 HydrophobicContact CG1-CG2 4.01Å
44Q95.4Very high92.6Very high19 Ų1937.2 Ų37.29%0.08920%0.198CC..EExtended strand (participates in β ladder)trans-99.2114.4175.3-176.463.422.900109.4S37 T38 S41 Q83 L84 V85S37-Q44 VanDerWaalsContact C-OE1 3.31Å; S37-Q44 PolarHBondContact O-OE1 3.41Å; S37-Q44 PolarHBondContact OG-NE2 3.12Å; S37-Q44 VanDerWaalsContact OG-NE2 3.14Å; T38-Q44 HydrophobicContact CG2-CB 4.5Å; T38-Q44 HydrophobicContact CG2-CG 4.32Å; S41-Q44 PolarHBondContact OG-OE1 3.31Å; Q44-Q83 PolarHBondContact N-O 3.48Å; Q44-L84 HydrophobicContact CB-CD1 4.11Å; Q44-L84 HydrophobicContact CG-CD1 4.02Å; Q44-V85 PolarHBondContact O-N 3.45Å
45I95.5Very high92.4Very high74 Ų7440 Ų4038%0.37921%0.214SC..EExtended strand (participates in β ladder)trans-92.1106.7172.5-56.4174.8000108.2V43 N47 V85 C87 L176V43-I45 HydrophobicContact CG1-CG1 4.48Å; I45-N47 PolarHBondContact O-N 3.14Å; I45-V85 CarbonylContact C-O 3.57Å; I45-V85 WeakPolarHBondContact CA-O 3.33Å; I45-V85 HydrophobicContact CG1-CB 4.38Å; I45-C87 HydrophobicContact CG2-CB 3.75Å; I45-L176 HydrophobicContact CD1-CD1 4Å; I45-L176 HydrophobicContact CG1-CD1 4.49Å
46Y94.9Very high92.3Very high20 Ų2040.3 Ų40.38%0.07822%0.217CC..EExtended strand (participates in β ladder)trans-88.696.9174.4-167.2-166.8000109.9F34 V48 A56 H59 V85 F86 C87F34-Y46 AromaticContact CE2-CD2 3.89Å; F34-Y46 HydrophobicContact CE2-CD2 3.89Å; F34-Y46 AromaticContact CE2-CE2 3.96Å; F34-Y46 HydrophobicContact CE2-CE2 3.96Å; F34-Y46 HydrophobicContact CE2-CG 4.23Å; F34-Y46 HydrophobicContact CZ-CD1 4.3Å; F34-Y46 HydrophobicContact CZ-CD2 4.3Å; F34-Y46 HydrophobicContact CZ-CE1 4.16Å; F34-Y46 HydrophobicContact CZ-CE2 4.16Å; F34-Y46 HydrophobicContact CZ-CG 4.36Å; Y46-V48 HydrophobicContact CD2-CG1 4.27Å; Y46-V48 HydrophobicContact CE1-CG1 4.46Å; Y46-V48 HydrophobicContact CE2-CG1 4.22Å; Y46-V48 HydrophobicContact CG-CG1 4.44Å; Y46-V48 PolarHBondContact O-N 3.12Å; Y46-A56 HydrophobicContact CE1-CB 4.07Å; Y46-A56 VanDerWaalsContact CE1-O 3.31Å; Y46-A56 WeakPolarHBondContact CE1-O 3.34Å; Y46-A56 VanDerWaalsContact OH-CA 3.24Å; Y46-A56 WeakPolarHBondContact OH-CA 3.42Å; Y46-A56 PolarHBondContact OH-O 2.84Å; Y46-A56 VanDerWaalsContact OH-O 3.06Å; Y46-H59 PolarHBondContact OH-ND1 2.8Å; Y46-V85 PolarHBondContact N-O 2.99Å; Y46-F86 AromaticContact CD1-CD1 3.9Å; Y46-F86 HydrophobicContact CD1-CD1 3.9Å; Y46-F86 AromaticContact CD1-CE1 3.49Å; Y46-F86 HydrophobicContact CD1-CE1 3.49Å; Y46-F86 VanDerWaalsContact CD1-CE1 3.49Å; Y46-F86 HydrophobicContact CD1-CZ 4.3Å; Y46-F86 HydrophobicContact CE1-CE1 4.03Å; Y46-F86 HydrophobicContact CG-CE1 4.48Å; Y46-C87 PolarHBondContact O-N 2.75Å
47N93.5Very high92.3Very high80 Ų8039.5 Ų39.543%0.42821%0.212SC..EExtended strand (participates in β ladder)trans-83.5111-177.6177.992.9000110.7I45 C87 R89I45-N47 PolarHBondContact O-N 3.14Å; N47-C87 WeakPolarHBondContact CA-O 3.38Å; N47-R89 WeakPolarHBondContact OD1-CD 3.5Å; N47-R89 WeakPolarHBondContact OD1-CG 3.41Å; N47-R89 PolarHBondContact OD1-NH1 2.89Å
48V93.8Very high92Very high14 Ų1444.4 Ų44.49%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-114.9158.3176.2-59.80000110.1Y46 I52 A56 C87 V88 R89Y46-V48 HydrophobicContact CD2-CG1 4.27Å; Y46-V48 HydrophobicContact CE1-CG1 4.46Å; Y46-V48 HydrophobicContact CE2-CG1 4.22Å; Y46-V48 HydrophobicContact CG-CG1 4.44Å; Y46-V48 PolarHBondContact O-N 3.12Å; V48-I52 HydrophobicContact CG2-CG1 4.01Å; V48-A56 HydrophobicContact CG1-CB 4.29Å; V48-C87 PolarHBondContact N-O 2.9Å; V48-C87 VanDerWaalsContact O-O 3.13Å; V48-V88 HydrophobicContact CG2-CB 4.15Å; V48-V88 HydrophobicContact CG2-CG1 4.23Å; V48-V88 HydrophobicContact CG2-CG2 3.77Å; V48-R89 WeakPolarHBondContact O-CB 3.08Å; V48-R89 WeakPolarHBondContact O-CG 3.48Å; V48-R89 PolarHBondContact O-N 3.29Å
49V92.1Very high91.8Very high81 Ų8144.6 Ų44.649%0.49124%0.235SC..EExtended strand (participates in β ladder)trans-114.6140.5-179-178.40000109.5N51 R89V49-N51 PolarHBondContact O-N 3.25Å; V49-R89 HydrophobicContact CG2-CB 4.32Å
50D92.1Very high91.8Very high63 Ų6344.2 Ų44.234%0.33723%0.233SC..SBendtrans64.4-54.9-177.7-71.6-32000114.7R89 K92D50-R89 WeakPolarHBondContact CA-O 3.47Å; D50-R89 PolarHBondContact N-O 2.98Å; D50-K92 VanDerWaalsContact OD1-CE 3.22Å; D50-K92 WeakPolarHBondContact OD1-CE 3.27Å; D50-K92 IonicContact OD1-NZ 3.6Å; D50-K92 PolarHBondContact OD1-NZ 3.43Å; D50-K92 IonicContact OD2-NZ 3.51Å; D50-K92 PolarHBondContact OD2-NZ 2.81Å
51N93.9Very high91.7Very high75 Ų7545.9 Ų45.940%0.40125%0.245SC..SBendtrans-153.6162-171.4-156.9-4.7000112.3V49 F107V49-N51 PolarHBondContact O-N 3.25Å; N51-F107 WeakPolarHBondContact OD1-CZ 3.32Å
52I94Very high91.5Very high10 Ų1045.2 Ų45.25%0.05124%0.24CC..  trans-87.1105.5166.8-58.9172.3000107.6V48 L57 F86 V88 F107 L108 V111V48-I52 HydrophobicContact CG2-CG1 4.01Å; I52-L57 HydrophobicContact CG2-CD2 3.84Å; I52-L57 HydrophobicContact CG2-CG 4.03Å; I52-F86 HydrophobicContact CD1-CB 3.98Å; I52-F86 HydrophobicContact CD1-CD1 3.67Å; I52-F86 HydrophobicContact CD1-CD2 4.47Å; I52-F86 HydrophobicContact CD1-CE1 4.21Å; I52-F86 HydrophobicContact CD1-CG 3.79Å; I52-F86 HydrophobicContact CG1-CD1 4.06Å; I52-F86 HydrophobicContact CG2-CD1 4.49Å; I52-F86 HydrophobicContact CG2-CE1 4.17Å; I52-V88 HydrophobicContact CD1-CG2 4.16Å; I52-V88 HydrophobicContact CG1-CG2 3.87Å; I52-F107 HydrophobicContact CB-CE1 4.42Å; I52-F107 HydrophobicContact CD1-CD1 4.43Å; I52-F107 HydrophobicContact CD1-CE1 3.77Å; I52-F107 HydrophobicContact CG1-CE1 3.97Å; I52-L108 HydrophobicContact CD1-CD1 3.96Å; I52-V111 HydrophobicContact CB-CG1 4.22Å; I52-V111 HydrophobicContact CG2-CG1 3.99Å
53Q91.4Very high91.3Very high116 Ų11643.7 Ų43.754%0.54223%0.229SC..  trans-91165.1179.5-67.7-176.7-0.100111.7D55 A56 L57Q53-D55 VanDerWaalsContact C-N 3.32Å; Q53-D55 WeakPolarHBondContact CB-OD1 3.37Å; Q53-D55 PolarHBondContact O-N 3.05Å; Q53-A56 WeakPolarHBondContact O-CB 3.35Å; Q53-A56 PolarHBondContact O-N 3.39Å; Q53-A56 VanDerWaalsContact O-N 3.13Å; Q53-L57 PolarHBondContact O-N 2.73Å
54E87.8Confident91.1Very high83 Ų8342.6 Ų42.639%0.38822%0.222SC..Hα-helixtrans-63.8-35.4-178.2-64.4-58.9159.300113.1A56 L57 Q58 R126E54-A56 VanDerWaalsContact C-N 3.26Å; E54-A56 PolarHBondContact O-N 2.98Å; E54-L57 PolarHBondContact O-N 2.91Å; E54-Q58 WeakPolarHBondContact O-CB 3.48Å; E54-Q58 VanDerWaalsContact O-CG 3.3Å; E54-Q58 WeakPolarHBondContact O-CG 3.13Å; E54-Q58 PolarHBondContact O-N 3.16Å; E54-R126 IonicContact OE1-CZ 2.94Å; E54-R126 IonicContact OE1-NH2 3.91Å; E54-R126 PolarHBondContact OE1-NH2 3.31Å; E54-R126 IonicContact OE2-CZ 2.76Å; E54-R126 IonicContact OE2-NH2 3.83Å; E54-R126 PolarHBondContact OE2-NH2 3.19Å
55D86.4Confident90.8Very high72 Ų7246.2 Ų46.239%0.38524%0.24SC..Hα-helixtrans-59.8-39.8173.966.1-42.6000110.9Q53 L57 Q58 H59Q53-D55 VanDerWaalsContact C-N 3.32Å; Q53-D55 WeakPolarHBondContact CB-OD1 3.37Å; Q53-D55 PolarHBondContact O-N 3.05Å; D55-L57 VanDerWaalsContact C-N 3.33Å; D55-L57 PolarHBondContact O-N 2.83Å; D55-Q58 PolarHBondContact O-N 3.08Å; D55-H59 PolarHBondContact O-CD2 3.09Å; D55-H59 PolarHBondContact O-N 3Å; D55-H59 VanDerWaalsContact O-N 3.1Å; D55-H59 PolarHBondContact O-ND1 2.81Å
56A87.9Confident90.6Very high6 Ų643.3 Ų43.35%0.0522%0.224CC..Hα-helixtrans-62.6-40.9176.200000111.7Y46 V48 Q53 E54Y46-A56 HydrophobicContact CE1-CB 4.07Å; Y46-A56 VanDerWaalsContact CE1-O 3.31Å; Y46-A56 WeakPolarHBondContact CE1-O 3.34Å; Y46-A56 VanDerWaalsContact OH-CA 3.24Å; Y46-A56 WeakPolarHBondContact OH-CA 3.42Å; Y46-A56 PolarHBondContact OH-O 2.84Å; Y46-A56 VanDerWaalsContact OH-O 3.06Å; V48-A56 HydrophobicContact CG1-CB 4.29Å; Q53-A56 WeakPolarHBondContact O-CB 3.35Å; Q53-A56 PolarHBondContact O-N 3.39Å; Q53-A56 VanDerWaalsContact O-N 3.13Å; E54-A56 VanDerWaalsContact C-N 3.26Å; E54-A56 PolarHBondContact O-N 2.98Å
57L90.1Very high90.2Very high5 Ų542.4 Ų42.43%0.02622%0.22CC..Hα-helixtrans-70.3-37.5174.8-63.7-179.5000112.1I52 Q53 E54 D55 H59 L60 F86 V111 L112I52-L57 HydrophobicContact CG2-CD2 3.84Å; I52-L57 HydrophobicContact CG2-CG 4.03Å; Q53-L57 PolarHBondContact O-N 2.73Å; E54-L57 PolarHBondContact O-N 2.91Å; D55-L57 VanDerWaalsContact C-N 3.33Å; D55-L57 PolarHBondContact O-N 2.83Å; L57-H59 PolarHBondContact O-N 2.94Å; L57-L60 HydrophobicContact CD2-CD1 4.36Å; L57-L60 WeakPolarHBondContact O-CA 3.16Å; L57-L60 VanDerWaalsContact O-CB 3.3Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.25Å; L57-F86 HydrophobicContact CD2-CE1 4.46Å; L57-F86 HydrophobicContact CD2-CZ 4.14Å; L57-V111 HydrophobicContact CD1-CG1 4.04Å; L57-L112 HydrophobicContact CD2-CD2 4.31Å
58Q86.4Confident90Very high105 Ų10543.7 Ų43.749%0.49122%0.219SC..Hα-helixtrans-61.2-32.7176.4-77.6177.9-6.600112.2E54 D55 L60 S61E54-Q58 WeakPolarHBondContact O-CB 3.48Å; E54-Q58 VanDerWaalsContact O-CG 3.3Å; E54-Q58 WeakPolarHBondContact O-CG 3.13Å; E54-Q58 PolarHBondContact O-N 3.16Å; D55-Q58 PolarHBondContact O-N 3.08Å; Q58-L60 PolarHBondContact O-N 2.83Å; Q58-L60 VanDerWaalsContact O-N 3.14Å; Q58-S61 VanDerWaalsContact O-CB 3.25Å; Q58-S61 WeakPolarHBondContact O-CB 3.02Å; Q58-S61 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-OG 2.89Å
59H87.4Confident89.7Confident8 Ų844.3 Ų44.34%0.03722%0.222CC..THydrogen-bonded Turntrans-60.8-21.8172.7-60.4153.1000113.2F21 Y27 M31 F34 Y46 D55 L57F21-H59 AromaticContact CE2-CE1 3.49Å; F21-H59 VanDerWaalsContact CE2-CE1 3.49Å; F21-H59 WeakPolarHBondContact CE2-CE1 3.49Å; F21-H59 AromaticContact CZ-CE1 3.27Å; F21-H59 WeakPolarHBondContact CZ-CE1 3.4Å; F21-H59 AromaticContact CZ-NE2 3.54Å; Y27-H59 AromaticContact CE2-NE2 3.65Å; Y27-H59 AromaticContact CZ-NE2 3.78Å; Y27-H59 PolarHBondContact OH-CD2 3.42Å; Y27-H59 PolarHBondContact OH-NE2 3.36Å; Y27-H59 VanDerWaalsContact OH-NE2 3.13Å; M31-H59 HydrophobicContact CE-CB 3.92Å; M31-H59 HydrophobicContact SD-CB 3.96Å; M31-H59 PolarHBondContact SD-CD2 3.37Å; F34-H59 HydrophobicContact CD1-CB 4.18Å; F34-H59 HydrophobicContact CE1-CB 3.8Å; Y46-H59 PolarHBondContact OH-ND1 2.8Å; D55-H59 PolarHBondContact O-CD2 3.09Å; D55-H59 PolarHBondContact O-N 3Å; D55-H59 VanDerWaalsContact O-N 3.1Å; D55-H59 PolarHBondContact O-ND1 2.81Å; L57-H59 PolarHBondContact O-N 2.94Å
60L90.9Very high89.4Confident0 Ų041.2 Ų41.20%021%0.205CC..THydrogen-bonded Turntrans-85.8-9.7178.1-57.4169.5000113.1F34 L57 Q58 L62 F63 V64 L84 F86 L129F34-L60 HydrophobicContact CE1-CD2 4.06Å; F34-L60 HydrophobicContact CZ-CD2 3.81Å; L57-L60 HydrophobicContact CD2-CD1 4.36Å; L57-L60 WeakPolarHBondContact O-CA 3.16Å; L57-L60 VanDerWaalsContact O-CB 3.3Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.25Å; Q58-L60 PolarHBondContact O-N 2.83Å; Q58-L60 VanDerWaalsContact O-N 3.14Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.3Å; L60-F63 HydrophobicContact CB-CD2 4.42Å; L60-F63 HydrophobicContact CD2-CD2 3.83Å; L60-F63 HydrophobicContact CD2-CE2 4Å; L60-F63 WeakPolarHBondContact O-CB 3.44Å; L60-F63 PolarHBondContact O-N 2.97Å; L60-V64 PolarHBondContact O-N 3.4Å; L60-V64 VanDerWaalsContact O-N 3.17Å; L60-L84 HydrophobicContact CD1-CD2 4.04Å; L60-L84 HydrophobicContact CD2-CD2 4.13Å; L60-F86 HydrophobicContact CD1-CE1 4.27Å; L60-F86 HydrophobicContact CD1-CZ 3.62Å; L60-L129 HydrophobicContact CB-CD1 3.9Å; L60-L129 HydrophobicContact CD1-CD1 3.84Å; L60-L129 HydrophobicContact CD1-CD2 4.37Å; L60-L129 HydrophobicContact CG-CD1 4.41Å
61S90Very high88.9Confident45 Ų4542.2 Ų42.232%0.31521%0.209SC..Hα-helixtrans-57-40.3-179.867.80000112.4Q58 F63 V64 E65Q58-S61 VanDerWaalsContact O-CB 3.25Å; Q58-S61 WeakPolarHBondContact O-CB 3.02Å; Q58-S61 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-OG 2.89Å; S61-F63 PolarHBondContact O-N 3.11Å; S61-V64 WeakPolarHBondContact O-CB 3.06Å; S61-V64 PolarHBondContact O-N 3.44Å; S61-V64 VanDerWaalsContact O-N 3.09Å; S61-E65 PolarHBondContact O-N 2.88Å
62L89.4Confident88.4Confident12 Ų1244.4 Ų44.46%0.06322%0.216CC..Hα-helixtrans-53-42175.1173.762.9000112.3A35 L60 Y66 P214 P216 I219A35-L62 HydrophobicContact CB-CD2 3.81Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.3Å; L62-Y66 VanDerWaalsContact O-CB 3.29Å; L62-Y66 WeakPolarHBondContact O-CB 3.44Å; L62-Y66 PolarHBondContact O-N 2.63Å; L62-P214 VanDerWaalsContact CD1-O 3.31Å; L62-P214 WeakPolarHBondContact CD1-O 3.26Å; L62-P214 HydrophobicContact CD2-CB 3.99Å; L62-P214 HydrophobicContact CD2-CG 3.83Å; L62-P216 HydrophobicContact CD1-CG 3.86Å; L62-I219 HydrophobicContact CD1-CD1 4.36Å; L62-I219 HydrophobicContact CG-CD1 4.38Å
63F90.6Very high87.7Confident0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-75.8-34.5-178.7-55.5-56.2000111.7F34 A35 T38 I39 L60 S61 G67 F81 F133F34-F63 HydrophobicContact CD1-CE2 4.04Å; F34-F63 HydrophobicContact CD1-CZ 4.21Å; F34-F63 AromaticContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CZ 4.13Å; F34-F63 HydrophobicContact CZ-CE2 4.1Å; A35-F63 HydrophobicContact CB-CE1 4.5Å; T38-F63 HydrophobicContact CG2-CD1 4.2Å; T38-F63 HydrophobicContact CG2-CD2 4.26Å; T38-F63 HydrophobicContact CG2-CE1 3.77Å; T38-F63 HydrophobicContact CG2-CE2 3.84Å; T38-F63 HydrophobicContact CG2-CG 4.44Å; T38-F63 HydrophobicContact CG2-CZ 3.58Å; T38-F63 WeakPolarHBondContact OG1-CZ 3.46Å; I39-F63 HydrophobicContact CG1-CE1 4.3Å; L60-F63 HydrophobicContact CB-CD2 4.42Å; L60-F63 HydrophobicContact CD2-CD2 3.83Å; L60-F63 HydrophobicContact CD2-CE2 4Å; L60-F63 WeakPolarHBondContact O-CB 3.44Å; L60-F63 PolarHBondContact O-N 2.97Å; S61-F63 PolarHBondContact O-N 3.11Å; F63-G67 PolarHBondContact O-N 3.12Å; F63-F81 HydrophobicContact CB-CD2 4.32Å; F63-F81 HydrophobicContact CB-CE2 3.6Å; F63-F81 HydrophobicContact CB-CZ 3.76Å; F63-F81 AromaticContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE2 4.28Å; F63-F81 AromaticContact CD1-CZ 3.54Å; F63-F81 HydrophobicContact CD1-CZ 3.54Å; F63-F81 HydrophobicContact CG-CE1 4.5Å; F63-F81 HydrophobicContact CG-CE2 4.3Å; F63-F81 HydrophobicContact CG-CZ 4.01Å; F63-F81 WeakPolarHBondContact O-CE2 3.37Å; F63-F133 HydrophobicContact CB-CE2 4.38Å; F63-F133 HydrophobicContact CB-CZ 4.35Å
64V90.3Very high86.4Confident6 Ų646.2 Ų46.24%0.03624%0.235CC..Hα-helixtrans-64.3-48173.9169.70000110.6L60 S61 Y66 G67 R68 V125 L128 L129 Y132L60-V64 PolarHBondContact O-N 3.4Å; L60-V64 VanDerWaalsContact O-N 3.17Å; S61-V64 WeakPolarHBondContact O-CB 3.06Å; S61-V64 PolarHBondContact O-N 3.44Å; S61-V64 VanDerWaalsContact O-N 3.09Å; V64-Y66 PolarHBondContact O-N 3.1Å; V64-G67 PolarHBondContact O-N 2.9Å; V64-R68 PolarHBondContact O-N 3.47Å; V64-V125 HydrophobicContact CG2-CG1 4.46Å; V64-L128 HydrophobicContact CG1-CB 3.71Å; V64-L128 HydrophobicContact CG1-CD1 3.71Å; V64-L128 HydrophobicContact CG1-CG 4.34Å; V64-L129 HydrophobicContact CG2-CD1 4.18Å; V64-Y132 HydrophobicContact CB-CD2 4.4Å; V64-Y132 HydrophobicContact CB-CE2 4.43Å; V64-Y132 HydrophobicContact CG1-CD2 4.37Å; V64-Y132 HydrophobicContact CG1-CE2 3.97Å; V64-Y132 HydrophobicContact CG2-CD2 4.47Å; V64-Y132 WeakPolarHBondContact O-CE2 3.44Å
65E89.3Confident85.5Confident96 Ų9647.1 Ų47.145%0.44924%0.239SC..Hα-helixtrans-62.7-43.8176.2-71.8-176.2176.400112.2S61 G67 R68 I69 P216S61-E65 PolarHBondContact O-N 2.88Å; E65-G67 VanDerWaalsContact C-N 3.34Å; E65-R68 PolarHBondContact O-N 3.24Å; E65-I69 WeakPolarHBondContact O-CG1 3.46Å; E65-I69 PolarHBondContact O-N 2.81Å; E65-I69 VanDerWaalsContact O-N 3.11Å; E65-P216 HydrophobicContact CB-CB 4.27Å; E65-P216 HydrophobicContact CB-CG 3.63Å; E65-P216 WeakPolarHBondContact OE2-CG 3.46Å
66Y89.5Confident84.6Confident13 Ų1349.4 Ų49.45%0.05125%0.251CS..Hα-helixtrans-61.8-43.4174.9171.4-102.9000111.7L62 V64 R68 I69 A70 P80 F81 I219 L220 N223L62-Y66 VanDerWaalsContact O-CB 3.29Å; L62-Y66 WeakPolarHBondContact O-CB 3.44Å; L62-Y66 PolarHBondContact O-N 2.63Å; V64-Y66 PolarHBondContact O-N 3.1Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 2.8Å; Y66-I69 PolarHBondContact O-N 2.81Å; Y66-A70 HydrophobicContact CE1-CB 4.27Å; Y66-A70 HydrophobicContact CE2-CB 4.38Å; Y66-A70 VanDerWaalsContact O-CB 3.28Å; Y66-A70 WeakPolarHBondContact O-CB 3.45Å; Y66-A70 PolarHBondContact O-N 2.78Å; Y66-P80 HydrophobicContact CD1-CB 4.26Å; Y66-P80 HydrophobicContact CE1-CB 3.71Å; Y66-F81 HydrophobicContact CD1-CE1 4.45Å; Y66-F81 AromaticContact CD1-CE2 3.9Å; Y66-F81 HydrophobicContact CD1-CE2 3.9Å; Y66-F81 AromaticContact CD1-CZ 3.49Å; Y66-F81 HydrophobicContact CD1-CZ 3.49Å; Y66-F81 VanDerWaalsContact CD1-CZ 3.49Å; Y66-F81 HydrophobicContact CE1-CZ 4.04Å; Y66-I219 HydrophobicContact CD1-CG2 4.26Å; Y66-I219 HydrophobicContact CD2-CB 3.61Å; Y66-I219 HydrophobicContact CD2-CD1 4.33Å; Y66-I219 HydrophobicContact CD2-CG2 3.67Å; Y66-I219 HydrophobicContact CE1-CG2 4.01Å; Y66-I219 HydrophobicContact CE2-CB 3.72Å; Y66-I219 HydrophobicContact CE2-CG2 3.4Å; Y66-I219 VanDerWaalsContact CE2-CG2 3.4Å; Y66-I219 HydrophobicContact CG-CB 4.23Å; Y66-I219 HydrophobicContact CG-CD1 4.15Å; Y66-I219 HydrophobicContact CG-CG2 4.1Å; Y66-L220 HydrophobicContact CE2-CB 4.14Å; Y66-L220 HydrophobicContact CE2-CD1 4.44Å; Y66-N223 PolarHBondContact OH-ND2 3.44Å
67G88.3Confident84Confident0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-59.6-42.817800000112.2F63 V64 E65 I69 A70 M71 Y132F63-G67 PolarHBondContact O-N 3.12Å; V64-G67 PolarHBondContact O-N 2.9Å; E65-G67 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 3.44Å; G67-A70 PolarHBondContact O-N 2.97Å; G67-M71 WeakPolarHBondContact O-CB 3.45Å; G67-M71 WeakPolarHBondContact O-CG 3.22Å; G67-M71 PolarHBondContact O-N 2.76Å; G67-Y132 WeakPolarHBondContact O-CE1 3.47Å
68R88.3Confident83.5Confident107 Ų10753.6 Ų53.640%0.40428%0.279SS..Hα-helixtrans-57.3-52.4174.2-169.6-176.763.876.80.3111.6V64 E65 Y66 A70 M71 E72 Y132V64-R68 PolarHBondContact O-N 3.47Å; E65-R68 PolarHBondContact O-N 3.24Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 2.8Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.78Å; R68-M71 PolarHBondContact O-N 2.78Å; R68-E72 IonicContact CZ-OE1 3.96Å; R68-E72 VanDerWaalsContact NH1-CD 3.26Å; R68-E72 IonicContact NH1-OE1 2.58Å; R68-E72 PolarHBondContact NH1-OE1 3.43Å; R68-E72 IonicContact NH1-OE2 2.79Å; R68-E72 PolarHBondContact NH1-OE2 3.04Å; R68-E72 VanDerWaalsContact NH1-OE2 3.15Å; R68-E72 WeakPolarHBondContact O-CG 3.03Å; R68-E72 PolarHBondContact O-N 2.82Å; R68-Y132 WeakPolarHBondContact CA-OH 3.5Å; R68-Y132 WeakPolarHBondContact CB-OH 3.3Å; R68-Y132 PolarHBondContact N-OH 3.27Å
69I88.1Confident83.6Confident27 Ų2752.7 Ų52.714%0.13827%0.274CS..Hα-helixtrans-64-36.6-178.8-63165.1000111.4E65 Y66 G67 Q73 P216 L220E65-I69 WeakPolarHBondContact O-CG1 3.46Å; E65-I69 PolarHBondContact O-N 2.81Å; E65-I69 VanDerWaalsContact O-N 3.11Å; Y66-I69 PolarHBondContact O-N 2.81Å; G67-I69 PolarHBondContact O-N 3.44Å; I69-Q73 WeakPolarHBondContact O-CG 3.49Å; I69-Q73 PolarHBondContact O-NE2 3.23Å; I69-P216 HydrophobicContact CD1-CB 3.68Å; I69-L220 HydrophobicContact CG2-CD1 4.47Å; I69-L220 HydrophobicContact CG2-CD2 3.7Å
70A85Confident83.5Confident17 Ų1753.7 Ų53.714%0.1428%0.281CS..Hα-helixtrans-68.9-39.6178.600000112Y66 G67 R68 Q73Y66-A70 HydrophobicContact CE1-CB 4.27Å; Y66-A70 HydrophobicContact CE2-CB 4.38Å; Y66-A70 VanDerWaalsContact O-CB 3.28Å; Y66-A70 WeakPolarHBondContact O-CB 3.45Å; Y66-A70 PolarHBondContact O-N 2.78Å; G67-A70 PolarHBondContact O-N 2.97Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.78Å; A70-Q73 WeakPolarHBondContact O-CB 3.4Å; A70-Q73 PolarHBondContact O-N 2.94Å
71M82.2Confident83.5Confident84 Ų8454 Ų5441%0.41428%0.283SS..Hα-helixtrans-75.7-25.5177.7-68.7-167.474.100113.3G67 R68 Q73 Y132G67-M71 WeakPolarHBondContact O-CB 3.45Å; G67-M71 WeakPolarHBondContact O-CG 3.22Å; G67-M71 PolarHBondContact O-N 2.76Å; R68-M71 PolarHBondContact O-N 2.78Å; M71-Q73 PolarHBondContact O-N 2.93Å; M71-Y132 HydrophobicContact CG-CD1 4.27Å; M71-Y132 HydrophobicContact CG-CE1 4.02Å; M71-Y132 HydrophobicContact SD-CD1 3.54Å; M71-Y132 VanDerWaalsContact SD-CD1 3.54Å; M71-Y132 HydrophobicContact SD-CE1 3.38Å; M71-Y132 WeakPolarHBondContact SD-CE1 3.47Å
72E82.9Confident83.6Confident121 Ų12152.3 Ų52.357%0.56527%0.27SS*.THydrogen-bonded Turntrans-70.2-14.2170.8-75.6171.5-175.500113.2R68R68-E72 IonicContact CZ-OE1 3.96Å; R68-E72 VanDerWaalsContact NH1-CD 3.26Å; R68-E72 IonicContact NH1-OE1 2.58Å; R68-E72 PolarHBondContact NH1-OE1 3.43Å; R68-E72 IonicContact NH1-OE2 2.79Å; R68-E72 PolarHBondContact NH1-OE2 3.04Å; R68-E72 VanDerWaalsContact NH1-OE2 3.15Å; R68-E72 WeakPolarHBondContact O-CG 3.03Å; R68-E72 PolarHBondContact O-N 2.82Å
73Q78.9Confident83.9Confident44 Ų4452.7 Ų52.721%0.20627%0.271CS..SBendtrans-68.1141.9177.3-60.7-53-59.200110.9I69 A70 M71 H75 L220 I279I69-Q73 WeakPolarHBondContact O-CG 3.49Å; I69-Q73 PolarHBondContact O-NE2 3.23Å; A70-Q73 WeakPolarHBondContact O-CB 3.4Å; A70-Q73 PolarHBondContact O-N 2.94Å; M71-Q73 PolarHBondContact O-N 2.93Å; Q73-H75 PolarHBondContact O-N 3.17Å; Q73-L220 HydrophobicContact CG-CD1 4.12Å; Q73-I279 HydrophobicContact CG-CG2 4.21Å
74P64.9Low84.1Confident120 Ų12052.7 Ų52.778%0.77927%0.271SS*.SBendtrans-64.3-12.4-17725.2-34.6000114
75H68.4Low84.4Confident102 Ų10252.4 Ų52.447%0.47227%0.269SS..SBendtrans-106.1105.9173.4-128.555.9000108.5Q73 F77Q73-H75 PolarHBondContact O-N 3.17Å; H75-F77 HydrophobicContact CB-CE2 3.74Å; H75-F77 HydrophobicContact CB-CZ 3.8Å; H75-F77 AromaticContact CD2-CE1 3.69Å; H75-F77 AromaticContact CD2-CZ 3.56Å; H75-F77 WeakPolarHBondContact O-CD2 3.21Å; H75-F77 WeakPolarHBondContact O-CE2 3.3Å; H75-F77 PolarHBondContact O-N 3.46Å
76N68.7Low84.8Confident119 Ų11947.8 Ų47.864%0.63625%0.248SC*.  trans-78.1106.9178.5-173.4-1000109.7G78N76-G78 VanDerWaalsContact C-N 3.29Å; N76-G78 PolarHBondContact OD1-N 2.9Å
77F74.3Confident85.2Confident59 Ų5947.4 Ų47.426%0.25925%0.247SC..  trans-88.76.5176.4-63.5-75000113.7H75 N188 I227 P277 I279H75-F77 HydrophobicContact CB-CE2 3.74Å; H75-F77 HydrophobicContact CB-CZ 3.8Å; H75-F77 AromaticContact CD2-CE1 3.69Å; H75-F77 AromaticContact CD2-CZ 3.56Å; H75-F77 WeakPolarHBondContact O-CD2 3.21Å; H75-F77 WeakPolarHBondContact O-CE2 3.3Å; H75-F77 PolarHBondContact O-N 3.46Å; F77-N188 HydrophobicContact CD1-CB 3.91Å; F77-N188 VanDerWaalsContact CD1-O 3.3Å; F77-N188 WeakPolarHBondContact CD1-O 3.34Å; F77-N188 HydrophobicContact CE1-CB 4.21Å; F77-N188 HydrophobicContact CG-CB 4.16Å; F77-I227 HydrophobicContact CZ-CD1 4.24Å; F77-P277 HydrophobicContact CZ-CB 4.24Å; F77-P277 HydrophobicContact CZ-CG 4.1Å; F77-I279 HydrophobicContact CE2-CD1 3.29Å; F77-I279 HydrophobicContact CE2-CG1 4.41Å; F77-I279 HydrophobicContact CZ-CD1 3.49Å; F77-I279 VanDerWaalsContact CZ-CD1 3.49Å
78G80.5Confident85.6Confident40 Ų4047.4 Ų47.441%0.41225%0.247SC..  trans80-164.6-169.800000112N76N76-G78 VanDerWaalsContact C-N 3.29Å; N76-G78 PolarHBondContact OD1-N 2.9Å
79K86.9Confident85.9Confident87 Ų8746.1 Ų46.138%0.37824%0.242SC..  trans-65.6134.5179.9-65.7-167.6-179.4-165.50110.6F81 R130 E131 F133 E134K79-F81 VanDerWaalsContact C-N 3.35Å; K79-F81 PolarHBondContact O-N 3.22Å; K79-R130 PolarHBondContact NZ-O 3.33Å; K79-E131 WeakPolarHBondContact CD-O 3.38Å; K79-E131 WeakPolarHBondContact CE-O 3.44Å; K79-E131 WeakPolarHBondContact CG-O 3.08Å; K79-E131 PolarHBondContact NZ-O 3.26Å; K79-F133 VanDerWaalsContact CD-O 3.27Å; K79-F133 WeakPolarHBondContact CD-O 3.3Å; K79-F133 PolarHBondContact NZ-O 3.08Å; K79-E134 HydrophobicContact CB-CG 4.26Å; K79-E134 HydrophobicContact CD-CG 4.42Å
80P85.3Confident86.2Confident29 Ų2946.6 Ų46.619%0.18825%0.245CC..SBendtrans-70.5-28.7-176.625.9-35.3000113.9Y66 Y132Y66-P80 HydrophobicContact CD1-CB 4.26Å; Y66-P80 HydrophobicContact CE1-CB 3.71Å; P80-Y132 WeakPolarHBondContact CD-O 3.33Å
81F90.9Very high86.7Confident7 Ų746.2 Ų46.23%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-120.5149.4-176-52.6-72.3000111T38 I39 F63 Y66 K79 Y132 F133 E134T38-F81 HydrophobicContact CG2-CD1 4.38Å; I39-F81 HydrophobicContact CG1-CE1 4.27Å; F63-F81 HydrophobicContact CB-CD2 4.32Å; F63-F81 HydrophobicContact CB-CE2 3.6Å; F63-F81 HydrophobicContact CB-CZ 3.76Å; F63-F81 AromaticContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE2 4.28Å; F63-F81 AromaticContact CD1-CZ 3.54Å; F63-F81 HydrophobicContact CD1-CZ 3.54Å; F63-F81 HydrophobicContact CG-CE1 4.5Å; F63-F81 HydrophobicContact CG-CE2 4.3Å; F63-F81 HydrophobicContact CG-CZ 4.01Å; F63-F81 WeakPolarHBondContact O-CE2 3.37Å; Y66-F81 HydrophobicContact CD1-CE1 4.45Å; Y66-F81 AromaticContact CD1-CE2 3.9Å; Y66-F81 HydrophobicContact CD1-CE2 3.9Å; Y66-F81 AromaticContact CD1-CZ 3.49Å; Y66-F81 HydrophobicContact CD1-CZ 3.49Å; Y66-F81 VanDerWaalsContact CD1-CZ 3.49Å; Y66-F81 HydrophobicContact CE1-CZ 4.04Å; K79-F81 VanDerWaalsContact C-N 3.35Å; K79-F81 PolarHBondContact O-N 3.22Å; F81-Y132 PolarHBondContact N-O 3.3Å; F81-F133 HydrophobicContact CB-CD1 3.35Å; F81-F133 HydrophobicContact CB-CD2 4.41Å; F81-F133 HydrophobicContact CB-CE1 3.39Å; F81-F133 HydrophobicContact CB-CE2 4.45Å; F81-F133 HydrophobicContact CB-CG 3.9Å; F81-F133 HydrophobicContact CB-CZ 3.97Å; F81-F133 HydrophobicContact CD1-CE1 4.49Å; F81-F133 HydrophobicContact CD2-CD2 4.42Å; F81-F133 HydrophobicContact CD2-CE1 4.25Å; F81-F133 HydrophobicContact CD2-CE2 4.03Å; F81-F133 AromaticContact CD2-CZ 3.94Å; F81-F133 HydrophobicContact CD2-CZ 3.94Å; F81-F133 HydrophobicContact CG-CD1 4.22Å; F81-F133 AromaticContact CG-CE1 3.81Å; F81-F133 HydrophobicContact CG-CE1 3.81Å; F81-F133 HydrophobicContact CG-CE2 4.42Å; F81-F133 AromaticContact CG-CZ 3.92Å; F81-F133 HydrophobicContact CG-CZ 3.92Å; F81-F133 WeakPolarHBondContact O-CA 3.48Å; F81-E134 PolarHBondContact O-N 3.27Å
82Q93.7Very high87.2Confident9 Ų949 Ų494%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-92.7-94.5-177-65.9179.1-8400109.9S42 E134 D135 P184 K185 I186S42-Q82 VanDerWaalsContact CB-OE1 3.31Å; S42-Q82 VanDerWaalsContact O-CB 3.28Å; S42-Q82 WeakPolarHBondContact O-CB 3.5Å; Q82-E134 WeakPolarHBondContact O-CA 3.32Å; Q82-E134 WeakPolarHBondContact O-CB 3.3Å; Q82-E134 PolarHBondContact O-N 3.1Å; Q82-D135 PolarHBondContact O-N 2.8Å; Q82-P184 PolarHBondContact NE2-O 3.38Å; Q82-K185 VanDerWaalsContact OE1-CD 3.22Å; Q82-I186 VanDerWaalsContact OE1-N 3.11Å
83Q94.8Very high87.5Confident19 Ų1947.5 Ų47.59%0.08925%0.246CC..EExtended strand (participates in β ladder)trans-113129.2-173.4-167.4177.910.400112S42 V43 Q44 V85 D135 Q137S42-Q83 PolarHBondContact O-N 3.48Å; S42-Q83 VanDerWaalsContact O-N 3.11Å; V43-Q83 HydrophobicContact CG1-CB 4.47Å; V43-Q83 HydrophobicContact CG1-CG 4.42Å; V43-Q83 HydrophobicContact CG2-CB 4.34Å; Q44-Q83 PolarHBondContact N-O 3.48Å; Q83-V85 HydrophobicContact CG-CG2 3.97Å; Q83-D135 WeakPolarHBondContact CA-O 3.25Å; Q83-D135 HydrophobicContact CG-CB 4.24Å; Q83-Q137 VanDerWaalsContact NE2-CD 3.28Å; Q83-Q137 VanDerWaalsContact NE2-NE2 3.19Å
84L95.5Very high87.9Confident0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-112.2130.3167.8177.964.2000109.2Q44 L60 F86 L129 F133 D135 I136 Q137Q44-L84 HydrophobicContact CB-CD1 4.11Å; Q44-L84 HydrophobicContact CG-CD1 4.02Å; L60-L84 HydrophobicContact CD1-CD2 4.04Å; L60-L84 HydrophobicContact CD2-CD2 4.13Å; L84-F86 HydrophobicContact CD2-CE2 3.82Å; L84-F86 HydrophobicContact CD2-CZ 4.1Å; L84-F86 HydrophobicContact CG-CE2 4.26Å; L84-L129 HydrophobicContact CD2-CD2 4.37Å; L84-F133 HydrophobicContact CB-CD1 3.63Å; L84-F133 HydrophobicContact CB-CE1 3.74Å; L84-F133 HydrophobicContact CB-CG 4.27Å; L84-F133 HydrophobicContact CB-CZ 4.46Å; L84-F133 HydrophobicContact CD2-CE1 4.32Å; L84-F133 HydrophobicContact CD2-CE2 4.44Å; L84-F133 HydrophobicContact CD2-CZ 4.22Å; L84-F133 HydrophobicContact CG-CE1 4.47Å; L84-D135 PolarHBondContact N-O 2.89Å; L84-I136 HydrophobicContact CB-CG1 4.46Å; L84-I136 HydrophobicContact CB-CG2 4.49Å; L84-I136 CarbonylContact O-C 3.51Å; L84-I136 VanDerWaalsContact O-CA 3.27Å; L84-I136 WeakPolarHBondContact O-CA 3.47Å; L84-Q137 PolarHBondContact O-N 3.37Å
85V96.4Very high89.1Confident0 Ų054 Ų540%027%0.266CS..EExtended strand (participates in β ladder)trans-123.7110.6-178.9-175.90000108.7V43 Q44 I45 Y46 Q83 C87 Q137 Y139 L176V43-V85 HydrophobicContact CG1-CG2 4.01Å; Q44-V85 PolarHBondContact O-N 3.45Å; I45-V85 CarbonylContact C-O 3.57Å; I45-V85 WeakPolarHBondContact CA-O 3.33Å; I45-V85 HydrophobicContact CG1-CB 4.38Å; Y46-V85 PolarHBondContact N-O 2.99Å; Q83-V85 HydrophobicContact CG-CG2 3.97Å; V85-C87 PolarHBondContact O-N 2.8Å; V85-Q137 CarbonylContact C-O 3.38Å; V85-Q137 WeakPolarHBondContact CA-O 3.05Å; V85-Q137 HydrophobicContact CG1-CB 4.43Å; V85-Q137 HydrophobicContact CG2-CB 4.4Å; V85-Y139 HydrophobicContact CG1-CD2 3.61Å; V85-Y139 HydrophobicContact CG1-CE2 3.86Å; V85-L176 HydrophobicContact CG1-CD1 4.25Å; V85-L176 HydrophobicContact CG1-CD2 4.05Å; V85-L176 HydrophobicContact CG2-CD2 3.79Å
86F97.2Very high90.3Very high0 Ų054.9 Ų54.90%027%0.27CS..EExtended strand (participates in β ladder)trans-73.9122.4167.7-72.1-85.6000109.2Y46 I52 L57 L60 L84 L108 L129 I136 Q137 C138 Y139Y46-F86 AromaticContact CD1-CD1 3.9Å; Y46-F86 HydrophobicContact CD1-CD1 3.9Å; Y46-F86 AromaticContact CD1-CE1 3.49Å; Y46-F86 HydrophobicContact CD1-CE1 3.49Å; Y46-F86 VanDerWaalsContact CD1-CE1 3.49Å; Y46-F86 HydrophobicContact CD1-CZ 4.3Å; Y46-F86 HydrophobicContact CE1-CE1 4.03Å; Y46-F86 HydrophobicContact CG-CE1 4.48Å; I52-F86 HydrophobicContact CD1-CB 3.98Å; I52-F86 HydrophobicContact CD1-CD1 3.67Å; I52-F86 HydrophobicContact CD1-CD2 4.47Å; I52-F86 HydrophobicContact CD1-CE1 4.21Å; I52-F86 HydrophobicContact CD1-CG 3.79Å; I52-F86 HydrophobicContact CG1-CD1 4.06Å; I52-F86 HydrophobicContact CG2-CD1 4.49Å; I52-F86 HydrophobicContact CG2-CE1 4.17Å; L57-F86 HydrophobicContact CD2-CE1 4.46Å; L57-F86 HydrophobicContact CD2-CZ 4.14Å; L60-F86 HydrophobicContact CD1-CE1 4.27Å; L60-F86 HydrophobicContact CD1-CZ 3.62Å; L84-F86 HydrophobicContact CD2-CE2 3.82Å; L84-F86 HydrophobicContact CD2-CZ 4.1Å; L84-F86 HydrophobicContact CG-CE2 4.26Å; F86-L108 HydrophobicContact CD2-CD1 3.85Å; F86-L108 HydrophobicContact CD2-CD2 4.21Å; F86-L108 HydrophobicContact CE2-CD1 3.93Å; F86-L108 HydrophobicContact CG-CD1 4.5Å; F86-L129 HydrophobicContact CE2-CD2 4.37Å; F86-I136 HydrophobicContact CD2-CG2 4.14Å; F86-I136 HydrophobicContact CE2-CG2 4.04Å; F86-Q137 PolarHBondContact N-O 3.46Å; F86-C138 HydrophobicContact CB-CB 4.14Å; F86-C138 CarbonylContact O-C 3.55Å; F86-C138 VanDerWaalsContact O-CA 3.3Å; F86-C138 WeakPolarHBondContact O-CA 3.47Å; F86-Y139 PolarHBondContact O-N 3.17Å
87C97.1Very high91.5Very high5 Ų550.6 Ų50.63%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-113.696.9173.6171.90000107.8I45 Y46 N47 V48 V85 R89I45-C87 HydrophobicContact CG2-CB 3.75Å; Y46-C87 PolarHBondContact O-N 2.75Å; N47-C87 WeakPolarHBondContact CA-O 3.38Å; V48-C87 PolarHBondContact N-O 2.9Å; V48-C87 VanDerWaalsContact O-O 3.13Å; V85-C87 PolarHBondContact O-N 2.8Å; C87-R89 PolarHBondContact O-N 3.11Å
88V96.9Very high92.5Very high0 Ų054.2 Ų54.20%026%0.263CS..EExtended strand (participates in β ladder)trans-85.4108.8180-170.60000108.8V48 I52 F91 F107 Y139 L140 L141V48-V88 HydrophobicContact CG2-CB 4.15Å; V48-V88 HydrophobicContact CG2-CG1 4.23Å; V48-V88 HydrophobicContact CG2-CG2 3.77Å; I52-V88 HydrophobicContact CD1-CG2 4.16Å; I52-V88 HydrophobicContact CG1-CG2 3.87Å; V88-F91 HydrophobicContact CG1-CB 4.35Å; V88-F91 HydrophobicContact CG1-CD2 4.07Å; V88-F107 HydrophobicContact CG2-CE1 4.31Å; V88-Y139 PolarHBondContact N-O 2.74Å; V88-L140 HydrophobicContact CB-CD2 3.77Å; V88-L140 HydrophobicContact CG1-CD2 4.39Å; V88-L140 HydrophobicContact CG2-CD2 3.75Å; V88-L141 PolarHBondContact O-N 3.16Å
89R95.4Very high93.3Very high79 Ų7953.3 Ų53.330%0.29825%0.248SC..EExtended strand (participates in β ladder)trans-83.3150.1178.5-58.1-65.5-66.8-91.5-5.7110.2N47 V48 V49 D50 C87 F91N47-R89 WeakPolarHBondContact OD1-CD 3.5Å; N47-R89 WeakPolarHBondContact OD1-CG 3.41Å; N47-R89 PolarHBondContact OD1-NH1 2.89Å; V48-R89 WeakPolarHBondContact O-CB 3.08Å; V48-R89 WeakPolarHBondContact O-CG 3.48Å; V48-R89 PolarHBondContact O-N 3.29Å; V49-R89 HydrophobicContact CG2-CB 4.32Å; D50-R89 WeakPolarHBondContact CA-O 3.47Å; D50-R89 PolarHBondContact N-O 2.98Å; C87-R89 PolarHBondContact O-N 3.11Å; R89-F91 PolarHBondContact O-N 3.25Å; R89-F91 VanDerWaalsContact O-N 3.16Å
90D94.6Very high93.7Very high37 Ų3749.3 Ų49.320%0.19823%0.231CC..THydrogen-bonded Turntrans56.231.7172.4-55.2-10.3000113.5K92 L141 H143 P144D90-K92 WeakPolarHBondContact O-CG 3.37Å; D90-K92 PolarHBondContact O-N 3.41Å; D90-L141 PolarHBondContact N-O 2.98Å; D90-L141 VanDerWaalsContact N-O 3.12Å; D90-H143 HydrophobicContact CB-CB 4.42Å; D90-H143 WeakPolarHBondContact OD1-CA 3.38Å; D90-H143 IonicContact OD1-CD2 3.15Å; D90-H143 IonicContact OD2-CD2 3.66Å; D90-P144 WeakPolarHBondContact OD1-CD 3.33Å
91F95.8Very high94.2Very high10 Ų1051 Ų514%0.04424%0.236CC..  trans-58.9133.1-178.8-175.1-105.5000111.2V88 R89 N93 Y97 F99 F107 L140 L141V88-F91 HydrophobicContact CG1-CB 4.35Å; V88-F91 HydrophobicContact CG1-CD2 4.07Å; R89-F91 PolarHBondContact O-N 3.25Å; R89-F91 VanDerWaalsContact O-N 3.16Å; F91-N93 VanDerWaalsContact CE1-C 3.45Å; F91-N93 HydrophobicContact CE1-CB 3.97Å; F91-N93 WeakPolarHBondContact CE1-O 3.09Å; F91-N93 HydrophobicContact CE2-CB 4.29Å; F91-N93 HydrophobicContact CZ-CB 3.66Å; F91-Y97 HydrophobicContact CZ-CD2 4.04Å; F91-F99 HydrophobicContact CB-CE1 4.16Å; F91-F99 HydrophobicContact CD1-CD1 4.24Å; F91-F99 AromaticContact CD1-CE1 3.89Å; F91-F99 HydrophobicContact CD1-CE1 3.89Å; F91-F99 WeakPolarHBondContact O-CE1 3.4Å; F91-F107 HydrophobicContact CE2-CD2 4.17Å; F91-F107 HydrophobicContact CE2-CE2 4.13Å; F91-F107 HydrophobicContact CZ-CD2 4.33Å; F91-L140 HydrophobicContact CB-CB 4.33Å; F91-L140 HydrophobicContact CD1-CB 4.08Å; F91-L140 HydrophobicContact CD1-CD1 4.02Å; F91-L140 HydrophobicContact CD1-CG 4.47Å; F91-L140 HydrophobicContact CD2-CD2 4.02Å; F91-L140 HydrophobicContact CE1-CD1 3.71Å; F91-L140 HydrophobicContact CE2-CD1 4.26Å; F91-L140 HydrophobicContact CE2-CD2 4.2Å; F91-L140 HydrophobicContact CG-CB 4.15Å; F91-L140 HydrophobicContact CG-CD1 4.42Å; F91-L140 HydrophobicContact CG-CD2 4.25Å; F91-L140 HydrophobicContact CG-CG 4.49Å; F91-L140 HydrophobicContact CZ-CD1 3.83Å; F91-L141 PolarHBondContact N-O 3.18Å
92K91.1Very high94.3Very high141 Ų14156.3 Ų56.361%0.61327%0.265SS*.  trans-104.5-27.2-169.9-67.8170.4179.1145.40113.5D50 D90 Q94D50-K92 VanDerWaalsContact OD1-CE 3.22Å; D50-K92 WeakPolarHBondContact OD1-CE 3.27Å; D50-K92 IonicContact OD1-NZ 3.6Å; D50-K92 PolarHBondContact OD1-NZ 3.43Å; D50-K92 IonicContact OD2-NZ 3.51Å; D50-K92 PolarHBondContact OD2-NZ 2.81Å; D90-K92 WeakPolarHBondContact O-CG 3.37Å; D90-K92 PolarHBondContact O-N 3.41Å; K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-Q94 PolarHBondContact O-N 2.8Å; K92-Q94 VanDerWaalsContact O-N 3.09Å
93N90.3Very high94.4Very high91 Ų9156 Ų5649%0.48726%0.264SS..  trans-91.252.1-167.3-66.950.3000113.2F91 E95 E96 Y97F91-N93 VanDerWaalsContact CE1-C 3.45Å; F91-N93 HydrophobicContact CE1-CB 3.97Å; F91-N93 WeakPolarHBondContact CE1-O 3.09Å; F91-N93 HydrophobicContact CE2-CB 4.29Å; F91-N93 HydrophobicContact CZ-CB 3.66Å; N93-E95 PolarHBondContact O-N 3.25Å; N93-E95 VanDerWaalsContact O-N 3.12Å; N93-E96 PolarHBondContact O-N 3.36Å; N93-Y97 PolarHBondContact O-N 3.2Å
94Q87.9Confident94.5Very high105 Ų10555.1 Ų55.149%0.49126%0.26SS..THydrogen-bonded Turntrans-63.5-18-177.269.6179.1-400114.6K92 E96 Y97 F99K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-Q94 PolarHBondContact O-N 2.8Å; K92-Q94 VanDerWaalsContact O-N 3.09Å; Q94-E96 VanDerWaalsContact C-N 3.35Å; Q94-Y97 CarbonylContact C-O 3.57Å; Q94-Y97 WeakPolarHBondContact CA-O 3.34Å; Q94-F99 HydrophobicContact CB-CE1 4.5Å; Q94-F99 HydrophobicContact CB-CE2 3.74Å; Q94-F99 HydrophobicContact CB-CZ 3.72Å
95E89.4Confident94.6Very high195 Ų19557.9 Ų57.991%0.91128%0.277SS*.THydrogen-bonded Turntrans-75.4-27.6179.7-64.3-179.6-177.700112.1N93N93-E95 PolarHBondContact O-N 3.25Å; N93-E95 VanDerWaalsContact O-N 3.12Å
96E92.8Very high94.6Very high120 Ų12062.6 Ų62.656%0.56130%0.302SS*.THydrogen-bonded Turntrans-96.7-39.8-179.1-163.5-176.7158.100111.2N93 Q94N93-E96 PolarHBondContact O-N 3.36Å; Q94-E96 VanDerWaalsContact C-N 3.35Å
97Y95.6Very high94.5Very high29 Ų2963.2 Ų63.211%0.11431%0.305CS..SBendtrans-132.5130.2179.8-53.3-82.1000110.9F91 N93 Q94 D106 F107 N110F91-Y97 HydrophobicContact CZ-CD2 4.04Å; N93-Y97 PolarHBondContact O-N 3.2Å; Q94-Y97 CarbonylContact C-O 3.57Å; Q94-Y97 WeakPolarHBondContact CA-O 3.34Å; Y97-D106 HydrophobicContact CD1-CB 3.92Å; Y97-D106 HydrophobicContact CE1-CB 4.13Å; Y97-F107 HydrophobicContact CD1-CB 3.79Å; Y97-F107 HydrophobicContact CD2-CB 4.21Å; Y97-F107 AromaticContact CD2-CD2 3.8Å; Y97-F107 HydrophobicContact CD2-CD2 3.8Å; Y97-F107 HydrophobicContact CD2-CG 4.46Å; Y97-F107 HydrophobicContact CE1-CB 4.17Å; Y97-F107 AromaticContact CE2-CD2 3.81Å; Y97-F107 HydrophobicContact CE2-CD2 3.81Å; Y97-F107 HydrophobicContact CG-CB 3.84Å; Y97-F107 HydrophobicContact CG-CD2 4.3Å; Y97-N110 PolarHBondContact OH-ND2 2.76Å
98E95.4Very high94.5Very high135 Ų13563 Ų6363%0.63130%0.304SS*.  trans-66.5152.4175.8-165.2-178.2176.500111.3G103E98-G103 WeakPolarHBondContact O-CA 3.45Å
99F96Very high94.3Very high22 Ų2266.2 Ų66.210%0.09632%0.321CS..SBendtrans-66.5158.4171-62.8-63.1000112.5F91 Q94 L140 P142 L164 E168F91-F99 HydrophobicContact CB-CE1 4.16Å; F91-F99 HydrophobicContact CD1-CD1 4.24Å; F91-F99 AromaticContact CD1-CE1 3.89Å; F91-F99 HydrophobicContact CD1-CE1 3.89Å; F91-F99 WeakPolarHBondContact O-CE1 3.4Å; Q94-F99 HydrophobicContact CB-CE1 4.5Å; Q94-F99 HydrophobicContact CB-CE2 3.74Å; Q94-F99 HydrophobicContact CB-CZ 3.72Å; F99-L140 HydrophobicContact CD1-CB 4.43Å; F99-P142 HydrophobicContact CD1-CB 4.07Å; F99-P142 HydrophobicContact CD1-CG 4.41Å; F99-P142 HydrophobicContact CD2-CB 4.34Å; F99-P142 HydrophobicContact CE1-CB 3.7Å; F99-P142 HydrophobicContact CE2-CB 3.99Å; F99-P142 HydrophobicContact CG-CB 4.37Å; F99-P142 HydrophobicContact CG-CG 4.45Å; F99-P142 HydrophobicContact CZ-CB 3.67Å; F99-L164 HydrophobicContact CD2-CD2 3.67Å; F99-L164 HydrophobicContact CD2-CG 4.39Å; F99-L164 HydrophobicContact CE2-CD2 3.64Å; F99-E168 HydrophobicContact CB-CG 3.99Å
100G95.1Very high94.3Very high3 Ų365.8 Ų65.83%0.03132%0.324CS..BIsolated β-bridgetrans93.3-156.3179.100000113G104 L140 E168G100-G104 PolarHBondContact O-N 3.3Å; G100-L140 PolarHBondContact N-O 3.29Å; G100-L140 PolarHBondContact O-N 3.01Å; G100-E168 VanDerWaalsContact CA-OE2 3.23Å; G100-E168 WeakPolarHBondContact CA-OE2 3.24Å
101E95.3Very high94.2Very high63 Ų6365.1 Ų65.129%0.29432%0.322SS..Hα-helixtrans-74.5-48.7-174-169.8174.9-177.400112.2G103 G104 T105 Y139 N175E101-G103 PolarHBondContact O-N 3.33Å; E101-G104 CarbonylContact O-C 3.5Å; E101-G104 WeakPolarHBondContact O-CA 3.43Å; E101-G104 PolarHBondContact O-N 3.09Å; E101-T105 PolarHBondContact O-N 2.58Å; E101-T105 PolarHBondContact O-OG1 2.83Å; E101-Y139 HydrophobicContact CB-CD1 4.03Å; E101-Y139 HydrophobicContact CB-CE1 3.64Å; E101-Y139 HydrophobicContact CG-CE1 4.07Å; E101-Y139 PolarHBondContact OE2-OH 2.75Å; E101-N175 PolarHBondContact OE2-ND2 3.25Å
102N94.8Very high94Very high120 Ų12065.4 Ų65.464%0.64232%0.323SS*.Hα-helixtrans-58.2-54.6-173.9-66-17000112.4G104 T105 D106N102-G104 PolarHBondContact O-N 2.96Å; N102-T105 WeakPolarHBondContact O-CB 3.34Å; N102-T105 PolarHBondContact O-N 2.98Å; N102-D106 PolarHBondContact O-N 2.93Å
103G95.8Very high94Very high2 Ų264.4 Ų64.42%0.02132%0.321CS..Hα-helixtrans-68.2-25.4176.400000112.6E98 E101 F107E98-G103 WeakPolarHBondContact O-CA 3.45Å; E101-G103 PolarHBondContact O-N 3.33Å; G103-F107 WeakPolarHBondContact O-CB 3.43Å; G103-F107 PolarHBondContact O-N 3.48Å
104G96.6Very high94Very high0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-65.6-39.7171.200000113.3G100 E101 N102 F107 L108 C138G100-G104 PolarHBondContact O-N 3.3Å; E101-G104 CarbonylContact O-C 3.5Å; E101-G104 WeakPolarHBondContact O-CA 3.43Å; E101-G104 PolarHBondContact O-N 3.09Å; N102-G104 PolarHBondContact O-N 2.96Å; G104-F107 PolarHBondContact O-N 2.98Å; G104-L108 VanDerWaalsContact O-CB 3.25Å; G104-L108 WeakPolarHBondContact O-CB 3.36Å; G104-L108 PolarHBondContact O-N 2.93Å; G104-C138 WeakPolarHBondContact CA-O 3.38Å; G104-C138 WeakPolarHBondContact O-CB 3.42Å; G104-C138 PolarHBondContact O-SG 3.27Å; G104-C138 VanDerWaalsContact O-SG 3.36Å
105T96.2Very high94Very high58 Ų5861.4 Ų61.436%0.35631%0.311SS..Hα-helixtrans-61-51.4173.7-60.30000110.9E101 N102 F107 L108 D109E101-T105 PolarHBondContact O-N 2.58Å; E101-T105 PolarHBondContact O-OG1 2.83Å; N102-T105 WeakPolarHBondContact O-CB 3.34Å; N102-T105 PolarHBondContact O-N 2.98Å; T105-F107 VanDerWaalsContact C-N 3.31Å; T105-F107 PolarHBondContact O-N 3.33Å; T105-L108 PolarHBondContact O-N 2.9Å; T105-D109 WeakPolarHBondContact O-CB 3.28Å; T105-D109 PolarHBondContact O-N 3.03Å
106D96.6Very high93.9Very high99 Ų9957.5 Ų57.553%0.52930%0.302SS..Hα-helixtrans-60.5-42.6178.9-65.6-22.4000111.5Y97 N102 D109 N110Y97-D106 HydrophobicContact CD1-CB 3.92Å; Y97-D106 HydrophobicContact CE1-CB 4.13Å; N102-D106 PolarHBondContact O-N 2.93Å; D106-D109 PolarHBondContact O-N 3.14Å; D106-N110 PolarHBondContact O-N 3.45Å; D106-N110 VanDerWaalsContact O-N 3.11Å
107F96.6Very high93.7Very high14 Ų1460.1 Ų60.16%0.06132%0.315CS..Hα-helixtrans-63.7-45.7176.8172.8-100.7000112.1N51 I52 V88 F91 Y97 G103 G104 T105 N110 V111 L140N51-F107 WeakPolarHBondContact OD1-CZ 3.32Å; I52-F107 HydrophobicContact CB-CE1 4.42Å; I52-F107 HydrophobicContact CD1-CD1 4.43Å; I52-F107 HydrophobicContact CD1-CE1 3.77Å; I52-F107 HydrophobicContact CG1-CE1 3.97Å; V88-F107 HydrophobicContact CG2-CE1 4.31Å; F91-F107 HydrophobicContact CE2-CD2 4.17Å; F91-F107 HydrophobicContact CE2-CE2 4.13Å; F91-F107 HydrophobicContact CZ-CD2 4.33Å; Y97-F107 HydrophobicContact CD1-CB 3.79Å; Y97-F107 HydrophobicContact CD2-CB 4.21Å; Y97-F107 AromaticContact CD2-CD2 3.8Å; Y97-F107 HydrophobicContact CD2-CD2 3.8Å; Y97-F107 HydrophobicContact CD2-CG 4.46Å; Y97-F107 HydrophobicContact CE1-CB 4.17Å; Y97-F107 AromaticContact CE2-CD2 3.81Å; Y97-F107 HydrophobicContact CE2-CD2 3.81Å; Y97-F107 HydrophobicContact CG-CB 3.84Å; Y97-F107 HydrophobicContact CG-CD2 4.3Å; G103-F107 WeakPolarHBondContact O-CB 3.43Å; G103-F107 PolarHBondContact O-N 3.48Å; G104-F107 PolarHBondContact O-N 2.98Å; T105-F107 VanDerWaalsContact C-N 3.31Å; T105-F107 PolarHBondContact O-N 3.33Å; F107-N110 PolarHBondContact O-N 3.42Å; F107-V111 HydrophobicContact CD1-CG2 4.35Å; F107-V111 HydrophobicContact CD2-CG2 4.48Å; F107-V111 HydrophobicContact CE1-CG2 3.76Å; F107-V111 HydrophobicContact CE2-CG2 3.88Å; F107-V111 HydrophobicContact CZ-CG2 3.43Å; F107-V111 VanDerWaalsContact CZ-CG2 3.43Å; F107-V111 WeakPolarHBondContact O-CG2 2.95Å; F107-V111 PolarHBondContact O-N 2.9Å; F107-L140 HydrophobicContact CB-CD1 3.9Å; F107-L140 HydrophobicContact CB-CD2 4.43Å; F107-L140 HydrophobicContact CD1-CD2 3.68Å; F107-L140 HydrophobicContact CE1-CD2 4.27Å; F107-L140 HydrophobicContact CG-CD1 4.23Å; F107-L140 HydrophobicContact CG-CD2 4.12Å
108L95.7Very high93.4Very high1 Ų160.9 Ų60.91%0.00532%0.319CS..Hα-helixtrans-65.5-39.8178.7-179.565.8000111.4I52 F86 G104 T105 N110 V111 L112 I136 C138I52-L108 HydrophobicContact CD1-CD1 3.96Å; F86-L108 HydrophobicContact CD2-CD1 3.85Å; F86-L108 HydrophobicContact CD2-CD2 4.21Å; F86-L108 HydrophobicContact CE2-CD1 3.93Å; F86-L108 HydrophobicContact CG-CD1 4.5Å; G104-L108 VanDerWaalsContact O-CB 3.25Å; G104-L108 WeakPolarHBondContact O-CB 3.36Å; G104-L108 PolarHBondContact O-N 2.93Å; T105-L108 PolarHBondContact O-N 2.9Å; L108-N110 VanDerWaalsContact C-N 3.29Å; L108-N110 PolarHBondContact O-N 3.48Å; L108-V111 PolarHBondContact O-N 3.36Å; L108-L112 HydrophobicContact CD1-CD1 3.93Å; L108-L112 HydrophobicContact CD1-CG 3.95Å; L108-L112 HydrophobicContact CD2-CD1 4.34Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 HydrophobicContact CG-CG 4.22Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 3.44Å; L108-I136 HydrophobicContact CD2-CG2 3.68Å; L108-C138 HydrophobicContact CB-CB 3.74Å; L108-C138 HydrophobicContact CD2-CB 3.97Å; L108-C138 HydrophobicContact CG-CB 4.35Å
109D94.3Very high93Very high67 Ų6758.1 Ų58.136%0.35831%0.313SS..Hα-helixtrans-60-41.8175.8-80.1-21.5000111.2T105 D106 L112 Q113 R130T105-D109 WeakPolarHBondContact O-CB 3.28Å; T105-D109 PolarHBondContact O-N 3.03Å; D106-D109 PolarHBondContact O-N 3.14Å; D109-L112 PolarHBondContact O-N 2.83Å; D109-Q113 WeakPolarHBondContact O-CG 3.38Å; D109-Q113 PolarHBondContact O-N 2.74Å; D109-R130 IonicContact OD1-CZ 3.77Å; D109-R130 IonicContact OD1-NH2 2.66Å; D109-R130 PolarHBondContact OD1-NH2 3.02Å
110N93.9Very high92.6Very high69 Ų6962.2 Ų62.237%0.36933%0.332SS..Hα-helixtrans-64.2-45.1173.6-170.725.2000112.3Y97 D106 F107 L108 L112 Q113Y97-N110 PolarHBondContact OH-ND2 2.76Å; D106-N110 PolarHBondContact O-N 3.45Å; D106-N110 VanDerWaalsContact O-N 3.11Å; F107-N110 PolarHBondContact O-N 3.42Å; L108-N110 VanDerWaalsContact C-N 3.29Å; L108-N110 PolarHBondContact O-N 3.48Å; N110-L112 VanDerWaalsContact C-N 3.28Å; N110-L112 PolarHBondContact O-N 2.94Å; N110-Q113 WeakPolarHBondContact O-CB 3.46Å; N110-Q113 PolarHBondContact O-N 2.81Å; N110-Q113 VanDerWaalsContact O-N 3.17Å
111V92.4Very high92Very high23 Ų2369.6 Ų69.614%0.13937%0.366CS..Hα-helixtrans-60-38.5177.8169.20000112.1I52 L57 F107 L108 Q113 R126I52-V111 HydrophobicContact CB-CG1 4.22Å; I52-V111 HydrophobicContact CG2-CG1 3.99Å; L57-V111 HydrophobicContact CD1-CG1 4.04Å; F107-V111 HydrophobicContact CD1-CG2 4.35Å; F107-V111 HydrophobicContact CD2-CG2 4.48Å; F107-V111 HydrophobicContact CE1-CG2 3.76Å; F107-V111 HydrophobicContact CE2-CG2 3.88Å; F107-V111 HydrophobicContact CZ-CG2 3.43Å; F107-V111 VanDerWaalsContact CZ-CG2 3.43Å; F107-V111 WeakPolarHBondContact O-CG2 2.95Å; F107-V111 PolarHBondContact O-N 2.9Å; L108-V111 PolarHBondContact O-N 3.36Å; V111-Q113 VanDerWaalsContact C-N 3.33Å; V111-R126 PolarHBondContact O-NH1 3.39Å
112L92.4Very high91.5Very high16 Ų1668.2 Ų68.28%0.08436%0.36CS..THydrogen-bonded Turntrans-84-1.2-179.3-63.5180000113.7L57 L108 D109 N110 T114 R126 L129L57-L112 HydrophobicContact CD2-CD2 4.31Å; L108-L112 HydrophobicContact CD1-CD1 3.93Å; L108-L112 HydrophobicContact CD1-CG 3.95Å; L108-L112 HydrophobicContact CD2-CD1 4.34Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 HydrophobicContact CG-CG 4.22Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 3.44Å; D109-L112 PolarHBondContact O-N 2.83Å; N110-L112 VanDerWaalsContact C-N 3.28Å; N110-L112 PolarHBondContact O-N 2.94Å; L112-T114 PolarHBondContact O-N 3.03Å; L112-R126 HydrophobicContact CD2-CB 4.43Å; L112-R126 HydrophobicContact CD2-CG 4.17Å; L112-R126 WeakPolarHBondContact O-CB 3.41Å; L112-L129 HydrophobicContact CD1-CD2 4.38Å; L112-L129 HydrophobicContact CD2-CD2 4.31Å
113Q91.6Very high91.2Very high121 Ų12164 Ų6457%0.56534%0.336SS*.  trans-62.6138.2172.6-78173.922.800110.9D109 N110 V111 R126D109-Q113 WeakPolarHBondContact O-CG 3.38Å; D109-Q113 PolarHBondContact O-N 2.74Å; N110-Q113 WeakPolarHBondContact O-CB 3.46Å; N110-Q113 PolarHBondContact O-N 2.81Å; N110-Q113 VanDerWaalsContact O-N 3.17Å; V111-Q113 VanDerWaalsContact C-N 3.33Å; Q113-R126 PolarHBondContact O-NH1 2.8Å
114T89.8Confident90.8Very high60 Ų6068.1 Ų68.137%0.36836%0.355SS..  trans-98.9144.3176.353.70000110.9L112 K123 R126 E127L112-T114 PolarHBondContact O-N 3.03Å; T114-K123 HydrophobicContact CG2-CB 4.09Å; T114-K123 HydrophobicContact CG2-CG 4.24Å; T114-R126 HydrophobicContact CG2-CB 3.8Å; T114-R126 HydrophobicContact CG2-CG 4.5Å; T114-E127 HydrophobicContact CG2-CG 3.96Å; T114-E127 PolarHBondContact OG1-OE1 3.1Å
115N88.6Confident90.5Very high73 Ų7368.8 Ų68.839%0.3936%0.359SS..  trans-115.7134.1171.3173.9-12.6000108.9E117 Q118 K123N115-E117 PolarHBondContact O-N 3.42Å; N115-E117 PolarHBondContact OD1-N 3.13Å; N115-Q118 HydrophobicContact CB-CG 4.1Å; N115-Q118 WeakPolarHBondContact O-CB 3.02Å; N115-Q118 PolarHBondContact O-N 3.06Å; N115-K123 WeakPolarHBondContact O-CE 3.27Å
116P86.9Confident90.3Very high113 Ų11366.9 Ų66.973%0.73435%0.345SS*.THydrogen-bonded Turntrans-47.8-31.1175.7-29.333.5000115.7Q118 K123P116-Q118 VanDerWaalsContact C-N 3.29Å; P116-Q118 PolarHBondContact O-N 3.41Å; P116-K123 WeakPolarHBondContact O-CE 3.38Å; P116-K123 PolarHBondContact O-NZ 3.08Å
117E89.3Confident89.9Confident175 Ų17567 Ų6782%0.81834%0.343SS*.THydrogen-bonded Turntrans-76.1-14.1-179.3-62.5-179.4167.800113.9N115N115-E117 PolarHBondContact O-N 3.42Å; N115-E117 PolarHBondContact OD1-N 3.13Å
118Q87.6Confident89.6Confident45 Ų4567.8 Ų67.821%0.2135%0.347CS..SBendtrans-71.5152.8-179.6-70.1173.5-39.100112.1N115 P116 K123N115-Q118 HydrophobicContact CB-CG 4.1Å; N115-Q118 WeakPolarHBondContact O-CB 3.02Å; N115-Q118 PolarHBondContact O-N 3.06Å; P116-Q118 VanDerWaalsContact C-N 3.29Å; P116-Q118 PolarHBondContact O-N 3.41Å; Q118-K123 HydrophobicContact CB-CG 4.17Å; Q118-K123 WeakPolarHBondContact O-CE 3.3Å; Q118-K123 PolarHBondContact O-NZ 3.29Å; Q118-K123 VanDerWaalsContact O-NZ 3.1Å
119P88.4Confident89.3Confident77 Ų7767.8 Ų67.850%0.535%0.347SS..  trans-55.4142.8168-22.732.6000112E121 I122 K123P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 3.41Å; P119-I122 HydrophobicContact CB-CD1 4.5Å; P119-I122 HydrophobicContact CB-CG1 4.37Å; P119-I122 HydrophobicContact CG-CD1 4.11Å; P119-I122 PolarHBondContact O-N 3.24Å; P119-I122 VanDerWaalsContact O-N 3.08Å; P119-K123 PolarHBondContact O-N 3.43Å
120E86.5Confident89Confident108 Ų10869.3 Ų69.351%0.50535%0.348SS..Hα-helixtrans-59.7-36.5-177-16463.6-168.600112.7I122 K123 Q124E120-I122 VanDerWaalsContact C-N 3.27Å; E120-I122 PolarHBondContact O-N 3.1Å; E120-K123 PolarHBondContact O-N 3.24Å; E120-K123 IonicContact OE2-NZ 2.68Å; E120-Q124 HydrophobicContact CG-CG 4.49Å; E120-Q124 WeakPolarHBondContact O-CB 3.48Å; E120-Q124 WeakPolarHBondContact O-CG 3.14Å; E120-Q124 PolarHBondContact O-N 3.22Å
121E82.3Confident88.7Confident158 Ų15870.9 Ų70.974%0.73835%0.353SS*.Hα-helixtrans-57.6-39.7176.5-65.5173.8-17400112.2P119 V125P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 3.41Å; E121-V125 WeakPolarHBondContact O-CG2 3.43Å; E121-V125 PolarHBondContact O-N 3.49Å
122I85.8Confident88.6Confident34 Ų3470.4 Ų70.417%0.17435%0.349CS..Hα-helixtrans-72.1-41.8179.7-61.3-175.4000110.5P119 E120 V125 R126P119-I122 HydrophobicContact CB-CD1 4.5Å; P119-I122 HydrophobicContact CB-CG1 4.37Å; P119-I122 HydrophobicContact CG-CD1 4.11Å; P119-I122 PolarHBondContact O-N 3.24Å; P119-I122 VanDerWaalsContact O-N 3.08Å; E120-I122 VanDerWaalsContact C-N 3.27Å; E120-I122 PolarHBondContact O-N 3.1Å; I122-V125 PolarHBondContact O-N 3.02Å; I122-R126 WeakPolarHBondContact O-CG 3.49Å; I122-R126 PolarHBondContact O-N 3.17Å
123K88.3Confident88.6Confident30 Ų3069.8 Ų69.813%0.1335%0.346CS..Hα-helixtrans-61.6-46.7177.6-63.1178.9-171.9152.30111.3T114 N115 P116 Q118 P119 E120 V125 R126 E127T114-K123 HydrophobicContact CG2-CB 4.09Å; T114-K123 HydrophobicContact CG2-CG 4.24Å; N115-K123 WeakPolarHBondContact O-CE 3.27Å; P116-K123 WeakPolarHBondContact O-CE 3.38Å; P116-K123 PolarHBondContact O-NZ 3.08Å; Q118-K123 HydrophobicContact CB-CG 4.17Å; Q118-K123 WeakPolarHBondContact O-CE 3.3Å; Q118-K123 PolarHBondContact O-NZ 3.29Å; Q118-K123 VanDerWaalsContact O-NZ 3.1Å; P119-K123 PolarHBondContact O-N 3.43Å; E120-K123 PolarHBondContact O-N 3.24Å; E120-K123 IonicContact OE2-NZ 2.68Å; K123-V125 VanDerWaalsContact C-N 3.31Å; K123-V125 PolarHBondContact O-N 3.29Å; K123-R126 PolarHBondContact O-N 3.14Å; K123-R126 VanDerWaalsContact O-N 3.1Å; K123-E127 WeakPolarHBondContact O-CB 3.01Å; K123-E127 WeakPolarHBondContact O-CG 3.14Å; K123-E127 PolarHBondContact O-N 2.95Å
124Q88.3Confident88.6Confident90 Ų9067.7 Ų67.742%0.42134%0.336SS..Hα-helixtrans-57.5-43.5179-76.3-178.91400111.9E120 R126 L128E120-Q124 HydrophobicContact CG-CG 4.49Å; E120-Q124 WeakPolarHBondContact O-CB 3.48Å; E120-Q124 WeakPolarHBondContact O-CG 3.14Å; E120-Q124 PolarHBondContact O-N 3.22Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 2.93Å; Q124-L128 HydrophobicContact CB-CD1 4.3Å; Q124-L128 WeakPolarHBondContact O-CB 3.39Å; Q124-L128 VanDerWaalsContact O-CG 3.24Å; Q124-L128 WeakPolarHBondContact O-CG 3.46Å; Q124-L128 PolarHBondContact O-N 3.25Å
125V89.9Confident88.8Confident14 Ų1467.6 Ų67.69%0.08533%0.333CS..Hα-helixtrans-59.8-46.2177.1172.80000110.9V64 E121 I122 K123 L129V64-V125 HydrophobicContact CG2-CG1 4.46Å; E121-V125 WeakPolarHBondContact O-CG2 3.43Å; E121-V125 PolarHBondContact O-N 3.49Å; I122-V125 PolarHBondContact O-N 3.02Å; K123-V125 VanDerWaalsContact C-N 3.31Å; K123-V125 PolarHBondContact O-N 3.29Å; V125-L129 VanDerWaalsContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CB 3.36Å; V125-L129 PolarHBondContact O-N 3.44Å; V125-L129 VanDerWaalsContact O-N 3.09Å
126R90.8Very high89.1Confident18 Ų1864.8 Ų64.87%0.06832%0.318CS..Hα-helixtrans-67.8-43-177.2-67.7177.6-167.5-159.4-3.6113.3E54 V111 L112 Q113 T114 I122 K123 Q124E54-R126 IonicContact OE1-CZ 2.94Å; E54-R126 IonicContact OE1-NH2 3.91Å; E54-R126 PolarHBondContact OE1-NH2 3.31Å; E54-R126 IonicContact OE2-CZ 2.76Å; E54-R126 IonicContact OE2-NH2 3.83Å; E54-R126 PolarHBondContact OE2-NH2 3.19Å; V111-R126 PolarHBondContact O-NH1 3.39Å; L112-R126 HydrophobicContact CD2-CB 4.43Å; L112-R126 HydrophobicContact CD2-CG 4.17Å; L112-R126 WeakPolarHBondContact O-CB 3.41Å; Q113-R126 PolarHBondContact O-NH1 2.8Å; T114-R126 HydrophobicContact CG2-CB 3.8Å; T114-R126 HydrophobicContact CG2-CG 4.5Å; I122-R126 WeakPolarHBondContact O-CG 3.49Å; I122-R126 PolarHBondContact O-N 3.17Å; K123-R126 PolarHBondContact O-N 3.14Å; K123-R126 VanDerWaalsContact O-N 3.1Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 2.93Å
127E88.6Confident89.5Confident101 Ų10160.7 Ų60.747%0.47229%0.289SS..Hα-helixtrans-70.3-44-178.2-71.2170.5-175.600111.4T114 K123T114-E127 HydrophobicContact CG2-CG 3.96Å; T114-E127 PolarHBondContact OG1-OE1 3.1Å; K123-E127 WeakPolarHBondContact O-CB 3.01Å; K123-E127 WeakPolarHBondContact O-CG 3.14Å; K123-E127 PolarHBondContact O-N 2.95Å
128L89.8Confident89.9Confident31 Ų3152.4 Ų52.416%0.16225%0.25CS..Hα-helixtrans-87.7-14.2-172.2-60.3175.2000113.8V64 Q124 R130 E131 Y132V64-L128 HydrophobicContact CG1-CB 3.71Å; V64-L128 HydrophobicContact CG1-CD1 3.71Å; V64-L128 HydrophobicContact CG1-CG 4.34Å; Q124-L128 HydrophobicContact CB-CD1 4.3Å; Q124-L128 WeakPolarHBondContact O-CB 3.39Å; Q124-L128 VanDerWaalsContact O-CG 3.24Å; Q124-L128 WeakPolarHBondContact O-CG 3.46Å; Q124-L128 PolarHBondContact O-N 3.25Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.38Å; L128-E131 HydrophobicContact CD2-CG 4.49Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.31Å; L128-E131 WeakPolarHBondContact O-CB 3.37Å; L128-E131 PolarHBondContact O-N 3.34Å; L128-Y132 HydrophobicContact CB-CD2 4.1Å; L128-Y132 HydrophobicContact CB-CE2 3.61Å; L128-Y132 HydrophobicContact CD1-CE2 4.17Å; L128-Y132 HydrophobicContact CG-CE2 4.33Å; L128-Y132 VanDerWaalsContact O-CD2 3.3Å; L128-Y132 WeakPolarHBondContact O-CD2 3.24Å; L128-Y132 PolarHBondContact O-N 2.92Å
129L89.4Confident90.3Very high1 Ų150.4 Ų50.41%0.00524%0.241CC..Hα-helixtrans-54.5-48.6178.7-15680.9000110.9L60 V64 L84 F86 L112 V125 E131 Y132 F133 I136L60-L129 HydrophobicContact CB-CD1 3.9Å; L60-L129 HydrophobicContact CD1-CD1 3.84Å; L60-L129 HydrophobicContact CD1-CD2 4.37Å; L60-L129 HydrophobicContact CG-CD1 4.41Å; V64-L129 HydrophobicContact CG2-CD1 4.18Å; L84-L129 HydrophobicContact CD2-CD2 4.37Å; F86-L129 HydrophobicContact CE2-CD2 4.37Å; L112-L129 HydrophobicContact CD1-CD2 4.38Å; L112-L129 HydrophobicContact CD2-CD2 4.31Å; V125-L129 VanDerWaalsContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CB 3.36Å; V125-L129 PolarHBondContact O-N 3.44Å; V125-L129 VanDerWaalsContact O-N 3.09Å; L129-E131 PolarHBondContact O-N 3.38Å; L129-Y132 PolarHBondContact O-N 3.22Å; L129-F133 HydrophobicContact CD1-CD2 4.49Å; L129-F133 HydrophobicContact CD1-CE2 4.2Å; L129-F133 HydrophobicContact CG-CD2 4.34Å; L129-F133 WeakPolarHBondContact O-CD2 3.48Å; L129-F133 PolarHBondContact O-N 3.32Å; L129-I136 HydrophobicContact CB-CD1 4.12Å; L129-I136 HydrophobicContact CD2-CD1 3.52Å; L129-I136 HydrophobicContact CG-CD1 3.59Å
130R87.8Confident90.8Very high98 Ų9846.8 Ų46.837%0.3722%0.217SC..Hα-helixtrans-68.7-20.7179.8-67.2-171.6177.3-73.82.3112.7K79 D109 L128 I136K79-R130 PolarHBondContact NZ-O 3.33Å; D109-R130 IonicContact OD1-CZ 3.77Å; D109-R130 IonicContact OD1-NH2 2.66Å; D109-R130 PolarHBondContact OD1-NH2 3.02Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.38Å; R130-I136 HydrophobicContact CG-CD1 4.23Å
131E88.6Confident91.3Very high103 Ų10341.7 Ų41.748%0.48119%0.194SC..Hα-helixtrans-76-38.5176.8-61-164.516200112.2K79 L128 L129K79-E131 WeakPolarHBondContact CD-O 3.38Å; K79-E131 WeakPolarHBondContact CE-O 3.44Å; K79-E131 WeakPolarHBondContact CG-O 3.08Å; K79-E131 PolarHBondContact NZ-O 3.26Å; L128-E131 HydrophobicContact CD2-CG 4.49Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.31Å; L128-E131 WeakPolarHBondContact O-CB 3.37Å; L128-E131 PolarHBondContact O-N 3.34Å; L129-E131 PolarHBondContact O-N 3.38Å
132Y89.9Confident91.9Very high12 Ų1234.2 Ų34.25%0.04716%0.158CC..Hα-helixtrans-96.1-16-172.6-57.4-48.3000115.7V64 G67 R68 M71 P80 F81 L128 L129V64-Y132 HydrophobicContact CB-CD2 4.4Å; V64-Y132 HydrophobicContact CB-CE2 4.43Å; V64-Y132 HydrophobicContact CG1-CD2 4.37Å; V64-Y132 HydrophobicContact CG1-CE2 3.97Å; V64-Y132 HydrophobicContact CG2-CD2 4.47Å; V64-Y132 WeakPolarHBondContact O-CE2 3.44Å; G67-Y132 WeakPolarHBondContact O-CE1 3.47Å; R68-Y132 WeakPolarHBondContact CA-OH 3.5Å; R68-Y132 WeakPolarHBondContact CB-OH 3.3Å; R68-Y132 PolarHBondContact N-OH 3.27Å; M71-Y132 HydrophobicContact CG-CD1 4.27Å; M71-Y132 HydrophobicContact CG-CE1 4.02Å; M71-Y132 HydrophobicContact SD-CD1 3.54Å; M71-Y132 VanDerWaalsContact SD-CD1 3.54Å; M71-Y132 HydrophobicContact SD-CE1 3.38Å; M71-Y132 WeakPolarHBondContact SD-CE1 3.47Å; P80-Y132 WeakPolarHBondContact CD-O 3.33Å; F81-Y132 PolarHBondContact N-O 3.3Å; L128-Y132 HydrophobicContact CB-CD2 4.1Å; L128-Y132 HydrophobicContact CB-CE2 3.61Å; L128-Y132 HydrophobicContact CD1-CE2 4.17Å; L128-Y132 HydrophobicContact CG-CE2 4.33Å; L128-Y132 VanDerWaalsContact O-CD2 3.3Å; L128-Y132 WeakPolarHBondContact O-CD2 3.24Å; L128-Y132 PolarHBondContact O-N 2.92Å; L129-Y132 PolarHBondContact O-N 3.22Å
133F92.1Very high92.3Very high4 Ų435.1 Ų35.12%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-99.9137.8170.5-71-96.3000110.8T38 F63 K79 F81 L84 L129 D135 I136T38-F133 HydrophobicContact CG2-CE1 4.39Å; T38-F133 HydrophobicContact CG2-CZ 4.43Å; F63-F133 HydrophobicContact CB-CE2 4.38Å; F63-F133 HydrophobicContact CB-CZ 4.35Å; K79-F133 VanDerWaalsContact CD-O 3.27Å; K79-F133 WeakPolarHBondContact CD-O 3.3Å; K79-F133 PolarHBondContact NZ-O 3.08Å; F81-F133 HydrophobicContact CB-CD1 3.35Å; F81-F133 HydrophobicContact CB-CD2 4.41Å; F81-F133 HydrophobicContact CB-CE1 3.39Å; F81-F133 HydrophobicContact CB-CE2 4.45Å; F81-F133 HydrophobicContact CB-CG 3.9Å; F81-F133 HydrophobicContact CB-CZ 3.97Å; F81-F133 HydrophobicContact CD1-CE1 4.49Å; F81-F133 HydrophobicContact CD2-CD2 4.42Å; F81-F133 HydrophobicContact CD2-CE1 4.25Å; F81-F133 HydrophobicContact CD2-CE2 4.03Å; F81-F133 AromaticContact CD2-CZ 3.94Å; F81-F133 HydrophobicContact CD2-CZ 3.94Å; F81-F133 HydrophobicContact CG-CD1 4.22Å; F81-F133 AromaticContact CG-CE1 3.81Å; F81-F133 HydrophobicContact CG-CE1 3.81Å; F81-F133 HydrophobicContact CG-CE2 4.42Å; F81-F133 AromaticContact CG-CZ 3.92Å; F81-F133 HydrophobicContact CG-CZ 3.92Å; F81-F133 WeakPolarHBondContact O-CA 3.48Å; L84-F133 HydrophobicContact CB-CD1 3.63Å; L84-F133 HydrophobicContact CB-CE1 3.74Å; L84-F133 HydrophobicContact CB-CG 4.27Å; L84-F133 HydrophobicContact CB-CZ 4.46Å; L84-F133 HydrophobicContact CD2-CE1 4.32Å; L84-F133 HydrophobicContact CD2-CE2 4.44Å; L84-F133 HydrophobicContact CD2-CZ 4.22Å; L84-F133 HydrophobicContact CG-CE1 4.47Å; L129-F133 HydrophobicContact CD1-CD2 4.49Å; L129-F133 HydrophobicContact CD1-CE2 4.2Å; L129-F133 HydrophobicContact CG-CD2 4.34Å; L129-F133 WeakPolarHBondContact O-CD2 3.48Å; L129-F133 PolarHBondContact O-N 3.32Å; F133-D135 VanDerWaalsContact C-N 3.31Å; F133-I136 HydrophobicContact CB-CD1 3.97Å; F133-I136 HydrophobicContact CB-CG1 3.7Å; F133-I136 HydrophobicContact CD2-CD1 4.38Å; F133-I136 HydrophobicContact CG-CD1 4.36Å; F133-I136 HydrophobicContact CG-CG1 4.32Å
134E92.4Very high92.4Very high77 Ų7734.1 Ų34.136%0.3616%0.158SC..EExtended strand (participates in β ladder)trans-61.3-41.8173.2-70179.2-172.800111.8K79 F81 Q82 K183K79-E134 HydrophobicContact CB-CG 4.26Å; K79-E134 HydrophobicContact CD-CG 4.42Å; F81-E134 PolarHBondContact O-N 3.27Å; Q82-E134 WeakPolarHBondContact O-CA 3.32Å; Q82-E134 WeakPolarHBondContact O-CB 3.3Å; Q82-E134 PolarHBondContact O-N 3.1Å; E134-K183 IonicContact OE2-NZ 2.63Å
135D93.2Very high92.5Very high58 Ų5830.4 Ų30.431%0.3115%0.145SC..EExtended strand (participates in β ladder)trans-146.7141.3-179-173.129.7000111.2Q82 Q83 L84 F133 Q137Q82-D135 PolarHBondContact O-N 2.8Å; Q83-D135 WeakPolarHBondContact CA-O 3.25Å; Q83-D135 HydrophobicContact CG-CB 4.24Å; L84-D135 PolarHBondContact N-O 2.89Å; F133-D135 VanDerWaalsContact C-N 3.31Å; D135-Q137 WeakPolarHBondContact OD2-CG 3.41Å; D135-Q137 PolarHBondContact OD2-NE2 3.32Å
136I94.8Very high92.2Very high14 Ų1438.3 Ų38.37%0.07217%0.174CC..EExtended strand (participates in β ladder)trans-132.5116.7176.5-51.8-177.5000108.5L84 F86 L108 L129 R130 F133L84-I136 HydrophobicContact CB-CG1 4.46Å; L84-I136 HydrophobicContact CB-CG2 4.49Å; L84-I136 CarbonylContact O-C 3.51Å; L84-I136 VanDerWaalsContact O-CA 3.27Å; L84-I136 WeakPolarHBondContact O-CA 3.47Å; F86-I136 HydrophobicContact CD2-CG2 4.14Å; F86-I136 HydrophobicContact CE2-CG2 4.04Å; L108-I136 HydrophobicContact CD2-CG2 3.68Å; L129-I136 HydrophobicContact CB-CD1 4.12Å; L129-I136 HydrophobicContact CD2-CD1 3.52Å; L129-I136 HydrophobicContact CG-CD1 3.59Å; R130-I136 HydrophobicContact CG-CD1 4.23Å; F133-I136 HydrophobicContact CB-CD1 3.97Å; F133-I136 HydrophobicContact CB-CG1 3.7Å; F133-I136 HydrophobicContact CD2-CD1 4.38Å; F133-I136 HydrophobicContact CG-CD1 4.36Å; F133-I136 HydrophobicContact CG-CG1 4.32Å
137Q95.7Very high91.8Very high27 Ų2743.6 Ų43.613%0.12620%0.198CC..EExtended strand (participates in β ladder)trans-115.7158.9180-60.5-176.6-3.600110.5Q83 L84 V85 F86 D135 Y139Q83-Q137 VanDerWaalsContact NE2-CD 3.28Å; Q83-Q137 VanDerWaalsContact NE2-NE2 3.19Å; L84-Q137 PolarHBondContact O-N 3.37Å; V85-Q137 CarbonylContact C-O 3.38Å; V85-Q137 WeakPolarHBondContact CA-O 3.05Å; V85-Q137 HydrophobicContact CG1-CB 4.43Å; V85-Q137 HydrophobicContact CG2-CB 4.4Å; F86-Q137 PolarHBondContact N-O 3.46Å; D135-Q137 WeakPolarHBondContact OD2-CG 3.41Å; D135-Q137 PolarHBondContact OD2-NE2 3.32Å; Q137-Y139 HydrophobicContact CB-CE2 4.14Å; Q137-Y139 PolarHBondContact OE1-OH 3.25Å
138C97.4Very high91.5Very high0 Ų040.1 Ų40.10%018%0.183CC..EExtended strand (participates in β ladder)trans-138.8134.3175.2179.50000109.5F86 G104 L108F86-C138 HydrophobicContact CB-CB 4.14Å; F86-C138 CarbonylContact O-C 3.55Å; F86-C138 VanDerWaalsContact O-CA 3.3Å; F86-C138 WeakPolarHBondContact O-CA 3.47Å; G104-C138 WeakPolarHBondContact CA-O 3.38Å; G104-C138 WeakPolarHBondContact O-CB 3.42Å; G104-C138 PolarHBondContact O-SG 3.27Å; G104-C138 VanDerWaalsContact O-SG 3.36Å; L108-C138 HydrophobicContact CB-CB 3.74Å; L108-C138 HydrophobicContact CD2-CB 3.97Å; L108-C138 HydrophobicContact CG-CB 4.35Å
139Y97.7Very high91Very high4 Ų441.2 Ų41.22%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-122.5124.5176.1-70.8-97.1000109.3V85 F86 V88 E101 Q137 M172 N175 L176V85-Y139 HydrophobicContact CG1-CD2 3.61Å; V85-Y139 HydrophobicContact CG1-CE2 3.86Å; F86-Y139 PolarHBondContact O-N 3.17Å; V88-Y139 PolarHBondContact N-O 2.74Å; E101-Y139 HydrophobicContact CB-CD1 4.03Å; E101-Y139 HydrophobicContact CB-CE1 3.64Å; E101-Y139 HydrophobicContact CG-CE1 4.07Å; E101-Y139 PolarHBondContact OE2-OH 2.75Å; Q137-Y139 HydrophobicContact CB-CE2 4.14Å; Q137-Y139 PolarHBondContact OE1-OH 3.25Å; Y139-M172 HydrophobicContact CD1-CB 3.9Å; Y139-M172 HydrophobicContact CD1-CG 3.59Å; Y139-M172 HydrophobicContact CD1-SD 4.2Å; Y139-M172 HydrophobicContact CD2-CG 4.26Å; Y139-M172 HydrophobicContact CE1-CB 3.95Å; Y139-M172 HydrophobicContact CE1-CG 3.75Å; Y139-M172 HydrophobicContact CE2-CG 4.42Å; Y139-M172 HydrophobicContact CG-CG 3.86Å; Y139-M172 HydrophobicContact CG-SD 4Å; Y139-N175 WeakPolarHBondContact OH-CB 3.49Å; Y139-L176 HydrophobicContact CE2-CD2 3.91Å; Y139-L176 HydrophobicContact CE2-CG 4.38Å
140L97.5Very high90.5Very high0 Ų047 Ų470%022%0.224CC..EExtended strand (participates in β ladder)trans-95.3112.9174.5-55.2-179.3000109.3V88 F91 F99 G100 F107V88-L140 HydrophobicContact CB-CD2 3.77Å; V88-L140 HydrophobicContact CG1-CD2 4.39Å; V88-L140 HydrophobicContact CG2-CD2 3.75Å; F91-L140 HydrophobicContact CB-CB 4.33Å; F91-L140 HydrophobicContact CD1-CB 4.08Å; F91-L140 HydrophobicContact CD1-CD1 4.02Å; F91-L140 HydrophobicContact CD1-CG 4.47Å; F91-L140 HydrophobicContact CD2-CD2 4.02Å; F91-L140 HydrophobicContact CE1-CD1 3.71Å; F91-L140 HydrophobicContact CE2-CD1 4.26Å; F91-L140 HydrophobicContact CE2-CD2 4.2Å; F91-L140 HydrophobicContact CG-CB 4.15Å; F91-L140 HydrophobicContact CG-CD1 4.42Å; F91-L140 HydrophobicContact CG-CD2 4.25Å; F91-L140 HydrophobicContact CG-CG 4.49Å; F91-L140 HydrophobicContact CZ-CD1 3.83Å; F99-L140 HydrophobicContact CD1-CB 4.43Å; G100-L140 PolarHBondContact N-O 3.29Å; G100-L140 PolarHBondContact O-N 3.01Å; F107-L140 HydrophobicContact CB-CD1 3.9Å; F107-L140 HydrophobicContact CB-CD2 4.43Å; F107-L140 HydrophobicContact CD1-CD2 3.68Å; F107-L140 HydrophobicContact CE1-CD2 4.27Å; F107-L140 HydrophobicContact CG-CD1 4.23Å; F107-L140 HydrophobicContact CG-CD2 4.12Å
141L96.6Very high89.4Confident2 Ų253.5 Ų53.51%0.0125%0.249CC..  trans-105.2133.3-179.3-63.1-177.2000111V88 D90 F91 F165 E168 L169 M172V88-L141 PolarHBondContact O-N 3.16Å; D90-L141 PolarHBondContact N-O 2.98Å; D90-L141 VanDerWaalsContact N-O 3.12Å; F91-L141 PolarHBondContact N-O 3.18Å; L141-F165 HydrophobicContact CB-CD2 4.38Å; L141-F165 HydrophobicContact CB-CE2 4.09Å; L141-F165 HydrophobicContact CD1-CE2 4.2Å; L141-E168 HydrophobicContact CD2-CB 3.86Å; L141-L169 HydrophobicContact CD1-CD2 4.21Å; L141-M172 HydrophobicContact CD1-CE 4.34Å; L141-M172 HydrophobicContact CD1-SD 4.06Å; L141-M172 HydrophobicContact CD2-SD 4.29Å
142P94.9Very high88.4Confident0 Ų058.2 Ų58.20%027%0.271CS..  trans-69.1165.4174.829.6-35.1000111F99 L164 F165F99-P142 HydrophobicContact CD1-CB 4.07Å; F99-P142 HydrophobicContact CD1-CG 4.41Å; F99-P142 HydrophobicContact CD2-CB 4.34Å; F99-P142 HydrophobicContact CE1-CB 3.7Å; F99-P142 HydrophobicContact CE2-CB 3.99Å; F99-P142 HydrophobicContact CG-CB 4.37Å; F99-P142 HydrophobicContact CG-CG 4.45Å; F99-P142 HydrophobicContact CZ-CB 3.67Å; P142-L164 HydrophobicContact CB-CD2 4.31Å; P142-L164 HydrophobicContact CG-CB 4.5Å; P142-L164 HydrophobicContact CG-CD2 4.29Å; P142-L164 HydrophobicContact CG-CG 4.17Å; P142-F165 HydrophobicContact CG-CB 3.95Å; P142-F165 HydrophobicContact CG-CD2 4.17Å; P142-F165 WeakPolarHBondContact O-CD2 3.16Å
143H94Very high87.4Confident53 Ų5361 Ų6125%0.24529%0.292CS..  trans-58.3132172.1-175.5-91.8000111.4D90 G145D90-H143 HydrophobicContact CB-CB 4.42Å; D90-H143 WeakPolarHBondContact OD1-CA 3.38Å; D90-H143 IonicContact OD1-CD2 3.15Å; D90-H143 IonicContact OD2-CD2 3.66Å; H143-G145 PolarHBondContact ND1-N 3.5Å; H143-G145 VanDerWaalsContact ND1-N 3.16Å; H143-G145 PolarHBondContact O-N 3.3Å; H143-G145 VanDerWaalsContact O-N 3.12Å
144P92.1Very high86.9Confident9 Ų964 Ų646%0.05831%0.305CS..  trans-68.3-14.8-171.827.8-36.9000113.9D90 V148 L161 R162 F165D90-P144 WeakPolarHBondContact OD1-CD 3.33Å; P144-V148 HydrophobicContact CB-CB 4.24Å; P144-V148 HydrophobicContact CB-CG1 4.08Å; P144-V148 HydrophobicContact CB-CG2 4.49Å; P144-V148 HydrophobicContact CG-CB 4.37Å; P144-V148 HydrophobicContact CG-CG1 4.17Å; P144-L161 HydrophobicContact CB-CD2 4.46Å; P144-R162 WeakPolarHBondContact O-CB 3.35Å; P144-R162 PolarHBondContact O-N 3.45Å; P144-F165 HydrophobicContact CB-CD1 3.92Å; P144-F165 HydrophobicContact CB-CD2 4.28Å; P144-F165 HydrophobicContact CB-CE1 3.84Å; P144-F165 HydrophobicContact CB-CE2 4.2Å; P144-F165 HydrophobicContact CB-CG 4.13Å; P144-F165 HydrophobicContact CB-CZ 3.99Å
145G89.3Confident86.4Confident13 Ų1370.6 Ų70.613%0.13433%0.326CS..  trans116.6148.8177.900000112.4H143 K147 V148 A149H143-G145 PolarHBondContact ND1-N 3.5Å; H143-G145 VanDerWaalsContact ND1-N 3.16Å; H143-G145 PolarHBondContact O-N 3.3Å; H143-G145 VanDerWaalsContact O-N 3.12Å; G145-K147 VanDerWaalsContact C-N 3.3Å; G145-K147 PolarHBondContact O-N 3.25Å; G145-V148 WeakPolarHBondContact O-CB 3.19Å; G145-V148 PolarHBondContact O-N 2.81Å; G145-A149 PolarHBondContact O-N 3.1Å
146Y84.4Confident85.9Confident180 Ų18070.2 Ų70.271%0.70634%0.336SS*.Hα-helixtrans-58.8-37.9-174.5-64.6-73.2000113.4V148 A149 E150Y146-V148 PolarHBondContact O-N 2.97Å; Y146-V148 VanDerWaalsContact O-N 3.12Å; Y146-A149 PolarHBondContact O-N 3.23Å; Y146-E150 WeakPolarHBondContact O-CB 3.2Å; Y146-E150 WeakPolarHBondContact O-CG 3.49Å; Y146-E150 PolarHBondContact O-N 3.45Å
147K81Confident85.5Confident128 Ų12873.9 Ų73.956%0.55735%0.353SS*.Hα-helixtrans-56.3-30.9175.6-72.2-173.2176.9-178.80113.5G145 S153 F154G145-K147 VanDerWaalsContact C-N 3.3Å; G145-K147 PolarHBondContact O-N 3.25Å; K147-S153 PolarHBondContact O-OG 3.11Å; K147-F154 WeakPolarHBondContact O-CB 3.24Å
148V81.9Confident85.1Confident28 Ų2876.7 Ų76.717%0.1737%0.372CS..Hα-helixtrans-85.3-40.1-178.3-179.30000110.3P144 G145 Y146 E150 F154 L161P144-V148 HydrophobicContact CB-CB 4.24Å; P144-V148 HydrophobicContact CB-CG1 4.08Å; P144-V148 HydrophobicContact CB-CG2 4.49Å; P144-V148 HydrophobicContact CG-CB 4.37Å; P144-V148 HydrophobicContact CG-CG1 4.17Å; G145-V148 WeakPolarHBondContact O-CB 3.19Å; G145-V148 PolarHBondContact O-N 2.81Å; Y146-V148 PolarHBondContact O-N 2.97Å; Y146-V148 VanDerWaalsContact O-N 3.12Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-F154 HydrophobicContact CB-CD2 4.39Å; V148-F154 HydrophobicContact CB-CG 4.41Å; V148-F154 HydrophobicContact CG1-CD1 3.97Å; V148-F154 HydrophobicContact CG1-CE1 3.86Å; V148-F154 HydrophobicContact CG1-CE2 4.46Å; V148-F154 HydrophobicContact CG1-CG 4.3Å; V148-F154 HydrophobicContact CG1-CZ 4.11Å; V148-F154 HydrophobicContact CG2-CD2 3.84Å; V148-F154 HydrophobicContact CG2-CE2 3.73Å; V148-F154 HydrophobicContact CG2-CG 4.35Å; V148-F154 HydrophobicContact CG2-CZ 4.11Å; V148-L161 HydrophobicContact CG1-CD2 4.37Å; V148-L161 HydrophobicContact CG2-CD2 3.68Å
149A79.8Confident84.6Confident55 Ų5584.2 Ų84.246%0.45541%0.405SS..Hα-helixtrans-66.9-35.4176.600000112.1G145 Y146 R151G145-A149 PolarHBondContact O-N 3.1Å; Y146-A149 PolarHBondContact O-N 3.23Å; A149-R151 PolarHBondContact O-N 2.92Å; A149-R151 VanDerWaalsContact O-N 3.1Å
150E80.4Confident84.1Confident121 Ų12186 Ų8657%0.56541%0.414SS*.SBendtrans-80.988.6176.5-67.3171.5-164.100110.3Y146 V148 Q152 S153Y146-E150 WeakPolarHBondContact O-CB 3.2Å; Y146-E150 WeakPolarHBondContact O-CG 3.49Å; Y146-E150 PolarHBondContact O-N 3.45Å; V148-E150 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3Å; E150-S153 PolarHBondContact O-N 3.3Å
151R63.2Low83.8Confident236 Ų23687.3 Ų87.389%0.89142%0.421SS*.THydrogen-bonded Turntrans-48.7-16.5-173.2-70-177.2177.1175.10.2116.6A149A149-R151 PolarHBondContact O-N 2.92Å; A149-R151 VanDerWaalsContact O-N 3.1Å
152Q69Low83.6Confident202 Ų20292.4 Ų92.494%0.94444%0.44SS*.THydrogen-bonded Turntrans-80.5-17-175.3-63.4-170.9-2.900114.1E150E150-Q152 PolarHBondContact O-N 3Å
153S67.8Low83.5Confident70 Ų7096.1 Ų96.149%0.4946%0.464SS..THydrogen-bonded Turntrans-119.4-16.9-172.773.50000115.5K147 E150K147-S153 PolarHBondContact O-OG 3.11Å; E150-S153 PolarHBondContact O-N 3.3Å
154F80.9Confident83.5Confident68 Ų6896 Ų9630%0.29847%0.465SS..  trans-82.8121.6-174.8-171.7-124.3000112.8K147 V148 D160 L161K147-F154 WeakPolarHBondContact O-CB 3.24Å; V148-F154 HydrophobicContact CB-CD2 4.39Å; V148-F154 HydrophobicContact CB-CG 4.41Å; V148-F154 HydrophobicContact CG1-CD1 3.97Å; V148-F154 HydrophobicContact CG1-CE1 3.86Å; V148-F154 HydrophobicContact CG1-CE2 4.46Å; V148-F154 HydrophobicContact CG1-CG 4.3Å; V148-F154 HydrophobicContact CG1-CZ 4.11Å; V148-F154 HydrophobicContact CG2-CD2 3.84Å; V148-F154 HydrophobicContact CG2-CE2 3.73Å; V148-F154 HydrophobicContact CG2-CG 4.35Å; V148-F154 HydrophobicContact CG2-CZ 4.11Å; F154-D160 HydrophobicContact CD2-CB 4.16Å; F154-D160 HydrophobicContact CE2-CB 4.1Å; F154-L161 HydrophobicContact CE2-CD2 4.37Å; F154-L161 HydrophobicContact CZ-CD2 4.06Å
155R82.5Confident83.5Confident214 Ų21496 Ų9681%0.80846%0.464SS*.  trans-103.213.5176.2-64.8-166176.9-163.5-0.4114
156G83.4Confident83.7Confident50 Ų5099.1 Ų99.152%0.51547%0.472SS..SBendtrans82.28.8-17700000114.7V158G156-V158 PolarHBondContact O-N 3.48Å
157H86.4Confident84.2Confident92 Ų9295.1 Ų95.143%0.42646%0.46SS..  trans-75.8127.7-178.9-60.2-56.9000111.9K159 D160H157-K159 HydrophobicContact CB-CG 4.03Å; H157-K159 PolarHBondContact O-N 3.22Å; H157-K159 VanDerWaalsContact O-N 3.11Å; H157-D160 WeakPolarHBondContact CB-OD2 3.5Å; H157-D160 IonicContact CD2-OD2 3.83Å; H157-D160 WeakPolarHBondContact O-CB 3.18Å; H157-D160 PolarHBondContact O-N 2.91Å
158V86.1Confident84.9Confident86 Ų8689.7 Ų89.752%0.52144%0.436SS..G310 helixtrans-58.1-28.3180179.20000113.2G156 D160 L161 R166G156-V158 PolarHBondContact O-N 3.48Å; V158-D160 PolarHBondContact O-N 3.5Å; V158-L161 HydrophobicContact CG1-CD1 4.3Å; V158-L161 WeakPolarHBondContact O-CB 3.35Å; V158-L161 PolarHBondContact O-N 3.41Å; V158-R166 HydrophobicContact CG1-CG 3.94Å
159K87.2Confident85.4Confident158 Ų15890.5 Ų90.569%0.68744%0.44SS*.G310 helixtrans-67.5-22.9177.370.3-175.6179.2176.80113.6H157 L161H157-K159 HydrophobicContact CB-CG 4.03Å; H157-K159 PolarHBondContact O-N 3.22Å; H157-K159 VanDerWaalsContact O-N 3.11Å; K159-L161 VanDerWaalsContact C-N 3.33Å
160D87.9Confident86.1Confident42 Ų4294.5 Ų94.523%0.22545%0.447CS..G310 helixtrans-87.7-9.1-179-60.5-35.7000111.7F154 H157 V158F154-D160 HydrophobicContact CD2-CB 4.16Å; F154-D160 HydrophobicContact CE2-CB 4.1Å; H157-D160 WeakPolarHBondContact CB-OD2 3.5Å; H157-D160 IonicContact CD2-OD2 3.83Å; H157-D160 WeakPolarHBondContact O-CB 3.18Å; H157-D160 PolarHBondContact O-N 2.91Å; V158-D160 PolarHBondContact O-N 3.5Å
161L90.2Very high86.7Confident27 Ų2794 Ų9414%0.14144%0.443CS..SBendtrans-73.7144.8171.1-60172.7000110.4P144 V148 F154 V158 K159 F165P144-L161 HydrophobicContact CB-CD2 4.46Å; V148-L161 HydrophobicContact CG1-CD2 4.37Å; V148-L161 HydrophobicContact CG2-CD2 3.68Å; F154-L161 HydrophobicContact CE2-CD2 4.37Å; F154-L161 HydrophobicContact CZ-CD2 4.06Å; V158-L161 HydrophobicContact CG1-CD1 4.3Å; V158-L161 WeakPolarHBondContact O-CB 3.35Å; V158-L161 PolarHBondContact O-N 3.41Å; K159-L161 VanDerWaalsContact C-N 3.33Å; L161-F165 HydrophobicContact CB-CD1 4.38Å; L161-F165 HydrophobicContact CD1-CD1 4.35Å; L161-F165 HydrophobicContact CD1-CE1 4.47Å; L161-F165 HydrophobicContact CD2-CD1 4.11Å; L161-F165 HydrophobicContact CD2-CE1 4.1Å
162R92.6Very high88.2Confident109 Ų10983.6 Ų83.641%0.41140%0.404SS..  trans-54.9133.4170.6-173.9177.7179.2-170-3.2109.8P144 L164 F165 R166P144-R162 WeakPolarHBondContact O-CB 3.35Å; P144-R162 PolarHBondContact O-N 3.45Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-L164 PolarHBondContact O-N 3.45Å; R162-F165 HydrophobicContact CB-CB 4.23Å; R162-F165 WeakPolarHBondContact O-CB 3.29Å; R162-F165 PolarHBondContact O-N 2.92Å; R162-F165 VanDerWaalsContact O-N 3.11Å; R162-R166 PolarHBondContact O-N 2.92Å; R162-R166 VanDerWaalsContact O-N 3.09Å
163P93.6Very high89.4Confident77 Ų7777.2 Ų77.250%0.538%0.379SS..Hα-helixtrans-53.9-44.7-175.9-30.135.8000114.2F165 R166 E167P163-F165 PolarHBondContact O-N 3.08Å; P163-R166 WeakPolarHBondContact O-CB 3.05Å; P163-R166 PolarHBondContact O-N 2.83Å; P163-E167 WeakPolarHBondContact O-CG 3.45Å; P163-E167 PolarHBondContact O-N 3.43Å
164L92.7Very high90.5Very high52 Ų5276.9 Ų76.927%0.27238%0.375SS..Hα-helixtrans-61-44.3178.4-17067.2000112.2F99 P142 R162 R166 E167 E168F99-L164 HydrophobicContact CD2-CD2 3.67Å; F99-L164 HydrophobicContact CD2-CG 4.39Å; F99-L164 HydrophobicContact CE2-CD2 3.64Å; P142-L164 HydrophobicContact CB-CD2 4.31Å; P142-L164 HydrophobicContact CG-CB 4.5Å; P142-L164 HydrophobicContact CG-CD2 4.29Å; P142-L164 HydrophobicContact CG-CG 4.17Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-L164 PolarHBondContact O-N 3.45Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 3.38Å; L164-E167 PolarHBondContact O-N 2.78Å; L164-E168 PolarHBondContact O-N 2.62Å
165F94.1Very high91.1Very high9 Ų976.5 Ų76.54%0.03938%0.376CS..Hα-helixtrans-60.4-41.3176-178.7-103.2000112L141 P142 P144 L161 R162 P163 E167 E168 L169L141-F165 HydrophobicContact CB-CD2 4.38Å; L141-F165 HydrophobicContact CB-CE2 4.09Å; L141-F165 HydrophobicContact CD1-CE2 4.2Å; P142-F165 HydrophobicContact CG-CB 3.95Å; P142-F165 HydrophobicContact CG-CD2 4.17Å; P142-F165 WeakPolarHBondContact O-CD2 3.16Å; P144-F165 HydrophobicContact CB-CD1 3.92Å; P144-F165 HydrophobicContact CB-CD2 4.28Å; P144-F165 HydrophobicContact CB-CE1 3.84Å; P144-F165 HydrophobicContact CB-CE2 4.2Å; P144-F165 HydrophobicContact CB-CG 4.13Å; P144-F165 HydrophobicContact CB-CZ 3.99Å; L161-F165 HydrophobicContact CB-CD1 4.38Å; L161-F165 HydrophobicContact CD1-CD1 4.35Å; L161-F165 HydrophobicContact CD1-CE1 4.47Å; L161-F165 HydrophobicContact CD2-CD1 4.11Å; L161-F165 HydrophobicContact CD2-CE1 4.1Å; R162-F165 HydrophobicContact CB-CB 4.23Å; R162-F165 WeakPolarHBondContact O-CB 3.29Å; R162-F165 PolarHBondContact O-N 2.92Å; R162-F165 VanDerWaalsContact O-N 3.11Å; P163-F165 PolarHBondContact O-N 3.08Å; F165-E167 VanDerWaalsContact C-N 3.34Å; F165-E168 PolarHBondContact O-N 2.56Å; F165-L169 HydrophobicContact CD1-CD1 3.75Å; F165-L169 HydrophobicContact CD1-CG 4.27Å; F165-L169 HydrophobicContact CE1-CD1 3.2Å; F165-L169 HydrophobicContact CE1-CG 3.91Å; F165-L169 HydrophobicContact CZ-CD1 3.69Å; F165-L169 HydrophobicContact CZ-CD2 4.37Å; F165-L169 HydrophobicContact CZ-CG 4.04Å; F165-L169 WeakPolarHBondContact O-CB 3.36Å; F165-L169 WeakPolarHBondContact O-CG 3.5Å; F165-L169 PolarHBondContact O-N 3.13Å
166R93.6Very high91.5Very high78 Ų7866.4 Ų66.429%0.29434%0.338SS..Hα-helixtrans-65.6-37177-179.6-17366.4-173.9-1.4112.1V158 R162 P163 L164 K170V158-R166 HydrophobicContact CG1-CG 3.94Å; R162-R166 PolarHBondContact O-N 2.92Å; R162-R166 VanDerWaalsContact O-N 3.09Å; P163-R166 WeakPolarHBondContact O-CB 3.05Å; P163-R166 PolarHBondContact O-N 2.83Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 3.38Å; R166-K170 WeakPolarHBondContact O-CB 3.29Å; R166-K170 VanDerWaalsContact O-CG 3.26Å; R166-K170 WeakPolarHBondContact O-CG 3.44Å; R166-K170 PolarHBondContact O-N 3.48Å
167E94Very high91.8Very high96 Ų9667.5 Ų67.545%0.44933%0.332SS..Hα-helixtrans-66.5-45.3177.2-75.9168.2-167.200111.4P163 L164 F165 K170 K171P163-E167 WeakPolarHBondContact O-CG 3.45Å; P163-E167 PolarHBondContact O-N 3.43Å; L164-E167 PolarHBondContact O-N 2.78Å; F165-E167 VanDerWaalsContact C-N 3.34Å; E167-K170 WeakPolarHBondContact O-CB 3.24Å; E167-K170 PolarHBondContact O-N 2.74Å; E167-K171 WeakPolarHBondContact O-CG 3.38Å; E167-K171 PolarHBondContact O-N 3.22Å
168E94.6Very high91.9Very high13 Ų1363.4 Ų63.46%0.06131%0.314CS..Hα-helixtrans-65.8-41176.3-64.7-46.8123.200112.5F99 G100 L141 L164 F165 K170 K171 M172F99-E168 HydrophobicContact CB-CG 3.99Å; G100-E168 VanDerWaalsContact CA-OE2 3.23Å; G100-E168 WeakPolarHBondContact CA-OE2 3.24Å; L141-E168 HydrophobicContact CD2-CB 3.86Å; L164-E168 PolarHBondContact O-N 2.62Å; F165-E168 PolarHBondContact O-N 2.56Å; E168-K170 VanDerWaalsContact C-N 3.3Å; E168-K170 PolarHBondContact O-N 2.97Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-K171 VanDerWaalsContact O-N 3.12Å; E168-K171 IonicContact OE1-NZ 2.73Å; E168-K171 PolarHBondContact OE1-NZ 3.25Å; E168-K171 IonicContact OE2-NZ 3.65Å; E168-M172 WeakPolarHBondContact O-CB 3.49Å; E168-M172 PolarHBondContact O-N 3.03Å
169L93.4Very high91.8Very high46 Ų4662.4 Ų62.424%0.24131%0.31CS..Hα-helixtrans-60.6-38.2172.7-80.4-176.3000113L141 F165 K171 M172 V173L141-L169 HydrophobicContact CD1-CD2 4.21Å; F165-L169 HydrophobicContact CD1-CD1 3.75Å; F165-L169 HydrophobicContact CD1-CG 4.27Å; F165-L169 HydrophobicContact CE1-CD1 3.2Å; F165-L169 HydrophobicContact CE1-CG 3.91Å; F165-L169 HydrophobicContact CZ-CD1 3.69Å; F165-L169 HydrophobicContact CZ-CD2 4.37Å; F165-L169 HydrophobicContact CZ-CG 4.04Å; F165-L169 WeakPolarHBondContact O-CB 3.36Å; F165-L169 WeakPolarHBondContact O-CG 3.5Å; F165-L169 PolarHBondContact O-N 3.13Å; L169-K171 PolarHBondContact O-N 2.79Å; L169-M172 HydrophobicContact CD2-CE 3.76Å; L169-M172 PolarHBondContact O-N 3.32Å; L169-V173 WeakPolarHBondContact O-CB 3.38Å; L169-V173 WeakPolarHBondContact O-CG2 3.37Å; L169-V173 PolarHBondContact O-N 3.17Å
170K93.9Very high91.6Very high139 Ų13960.5 Ų60.560%0.60430%0.303SS*.Hα-helixtrans-65.1-26.8177.3-82.5177.7176.3-172.20112.7R166 E167 E168 P174R166-K170 WeakPolarHBondContact O-CB 3.29Å; R166-K170 VanDerWaalsContact O-CG 3.26Å; R166-K170 WeakPolarHBondContact O-CG 3.44Å; R166-K170 PolarHBondContact O-N 3.48Å; E167-K170 WeakPolarHBondContact O-CB 3.24Å; E167-K170 PolarHBondContact O-N 2.74Å; E168-K170 VanDerWaalsContact C-N 3.3Å; E168-K170 PolarHBondContact O-N 2.97Å; K170-P174 WeakPolarHBondContact O-CD 3.49Å; K170-P174 VanDerWaalsContact O-CG 3.29Å; K170-P174 WeakPolarHBondContact O-CG 3.27Å
171K93.9Very high91.5Very high110 Ų11060.8 Ų60.848%0.47830%0.304SS..Hα-helixtrans-82.6-48.9173.7-62.5170.1-172.4167.70111E167 E168 L169 P174 N175E167-K171 WeakPolarHBondContact O-CG 3.38Å; E167-K171 PolarHBondContact O-N 3.22Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-K171 VanDerWaalsContact O-N 3.12Å; E168-K171 IonicContact OE1-NZ 2.73Å; E168-K171 PolarHBondContact OE1-NZ 3.25Å; E168-K171 IonicContact OE2-NZ 3.65Å; L169-K171 PolarHBondContact O-N 2.79Å; K171-P174 WeakPolarHBondContact O-CD 3.19Å; K171-N175 VanDerWaalsContact O-CG 3.28Å; K171-N175 PolarHBondContact O-N 3.26Å; K171-N175 PolarHBondContact O-OD1 2.81Å
172M94.4Very high91.4Very high18 Ų1860.8 Ų60.89%0.08930%0.304CS..Hα-helixtrans-62.8-47.3-175.3-175.6-173.885.700112.9Y139 L141 E168 L169 N175 L176Y139-M172 HydrophobicContact CD1-CB 3.9Å; Y139-M172 HydrophobicContact CD1-CG 3.59Å; Y139-M172 HydrophobicContact CD1-SD 4.2Å; Y139-M172 HydrophobicContact CD2-CG 4.26Å; Y139-M172 HydrophobicContact CE1-CB 3.95Å; Y139-M172 HydrophobicContact CE1-CG 3.75Å; Y139-M172 HydrophobicContact CE2-CG 4.42Å; Y139-M172 HydrophobicContact CG-CG 3.86Å; Y139-M172 HydrophobicContact CG-SD 4Å; L141-M172 HydrophobicContact CD1-CE 4.34Å; L141-M172 HydrophobicContact CD1-SD 4.06Å; L141-M172 HydrophobicContact CD2-SD 4.29Å; E168-M172 WeakPolarHBondContact O-CB 3.49Å; E168-M172 PolarHBondContact O-N 3.03Å; L169-M172 HydrophobicContact CD2-CE 3.76Å; L169-M172 PolarHBondContact O-N 3.32Å; M172-N175 PolarHBondContact O-N 3.42Å; M172-N175 VanDerWaalsContact O-N 3.13Å; M172-L176 HydrophobicContact CE-CD1 4.39Å; M172-L176 HydrophobicContact CG-CD1 3.67Å; M172-L176 HydrophobicContact CG-CG 4.19Å; M172-L176 WeakPolarHBondContact O-CG 3.46Å; M172-L176 PolarHBondContact O-N 3.49Å; M172-L176 HydrophobicContact SD-CD1 4.26Å
173V93.3Very high91.2Very high68 Ų6861 Ų6141%0.41231%0.308SS..Hα-helixtrans-61.7-48.1-172.9170.60000112.4L169 N175 L176 L177L169-V173 WeakPolarHBondContact O-CB 3.38Å; L169-V173 WeakPolarHBondContact O-CG2 3.37Å; L169-V173 PolarHBondContact O-N 3.17Å; V173-N175 VanDerWaalsContact C-N 3.33Å; V173-N175 PolarHBondContact O-N 2.85Å; V173-L176 PolarHBondContact O-N 3.36Å; V173-L177 HydrophobicContact CG1-CD1 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.45Å; V173-L177 PolarHBondContact O-N 3.29Å
174P92.3Very high91.1Very high63 Ų6359.5 Ų59.541%0.40930%0.298SS..Hα-helixtrans-62.5-35.9172.6-24.535.5000113.8K170 K171 L176 G178K170-P174 WeakPolarHBondContact O-CD 3.49Å; K170-P174 VanDerWaalsContact O-CG 3.29Å; K170-P174 WeakPolarHBondContact O-CG 3.27Å; K171-P174 WeakPolarHBondContact O-CD 3.19Å; P174-L176 VanDerWaalsContact C-N 3.25Å; P174-L176 PolarHBondContact O-N 3.11Å; P174-G178 WeakPolarHBondContact O-CA 3.29Å; P174-G178 PolarHBondContact O-N 3.38Å
175N92.1Very high91.2Very high59 Ų5957.7 Ų57.732%0.31629%0.288SS..Hα-helixtrans-68.3-23.9178.2-73.16.8000113E101 Y139 K171 M172 V173 I181E101-N175 PolarHBondContact OE2-ND2 3.25Å; Y139-N175 WeakPolarHBondContact OH-CB 3.49Å; K171-N175 VanDerWaalsContact O-CG 3.28Å; K171-N175 PolarHBondContact O-N 3.26Å; K171-N175 PolarHBondContact O-OD1 2.81Å; M172-N175 PolarHBondContact O-N 3.42Å; M172-N175 VanDerWaalsContact O-N 3.13Å; V173-N175 VanDerWaalsContact C-N 3.33Å; V173-N175 PolarHBondContact O-N 2.85Å; N175-I181 VanDerWaalsContact CA-CD1 3.5Å; N175-I181 WeakPolarHBondContact O-CD1 3.39Å; N175-I181 WeakPolarHBondContact O-CG2 3.31Å
176L91.3Very high91.1Very high3 Ų359.9 Ų59.92%0.01630%0.3CS..Hα-helixtrans-97.5-39178-65.2-178.4000113.2I45 V85 Y139 M172 V173 P174I45-L176 HydrophobicContact CD1-CD1 4Å; I45-L176 HydrophobicContact CG1-CD1 4.49Å; V85-L176 HydrophobicContact CG1-CD1 4.25Å; V85-L176 HydrophobicContact CG1-CD2 4.05Å; V85-L176 HydrophobicContact CG2-CD2 3.79Å; Y139-L176 HydrophobicContact CE2-CD2 3.91Å; Y139-L176 HydrophobicContact CE2-CG 4.38Å; M172-L176 HydrophobicContact CE-CD1 4.39Å; M172-L176 HydrophobicContact CG-CD1 3.67Å; M172-L176 HydrophobicContact CG-CG 4.19Å; M172-L176 WeakPolarHBondContact O-CG 3.46Å; M172-L176 PolarHBondContact O-N 3.49Å; M172-L176 HydrophobicContact SD-CD1 4.26Å; V173-L176 PolarHBondContact O-N 3.36Å; P174-L176 VanDerWaalsContact C-N 3.25Å; P174-L176 PolarHBondContact O-N 3.11Å
177L89.9Confident90.7Very high73 Ų7356.8 Ų56.838%0.38229%0.29SS..Hα-helixtrans-113.77.1-169.9-55.9-178.5000113.2V173 L182V173-L177 HydrophobicContact CG1-CD1 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.45Å; V173-L177 PolarHBondContact O-N 3.29Å; L177-L182 HydrophobicContact CD2-CD2 4.49Å; L177-L182 WeakPolarHBondContact O-CD1 3.3Å
178G88.3Confident90.1Very high5 Ų553.6 Ų53.65%0.05228%0.276CS..  trans-62.6143.3179.300000112.2P174 H180 I181 L182P174-G178 WeakPolarHBondContact O-CA 3.29Å; P174-G178 PolarHBondContact O-N 3.38Å; G178-H180 PolarHBondContact O-N 2.97Å; G178-H180 VanDerWaalsContact O-N 3.09Å; G178-I181 PolarHBondContact O-N 3.09Å; G178-L182 WeakPolarHBondContact O-CG 3.25Å; G178-L182 PolarHBondContact O-N 2.86Å; G178-L182 VanDerWaalsContact O-N 3.08Å
179P85.1Confident89.6Confident66 Ų6655.5 Ų55.543%0.42930%0.298SS..THydrogen-bonded Turntrans-60.1-25-178.824.7-35.1000113.4I2I2-P179 HydrophobicContact CG2-CB 3.54Å
180H83Confident89.3Confident118 Ų11858.1 Ų58.155%0.54631%0.308SS..THydrogen-bonded Turntrans-85.7-12.8-179.752.7-76.3000113.4V5 G178V5-H180 HydrophobicContact CG1-CB 4.12Å; G178-H180 PolarHBondContact O-N 2.97Å; G178-H180 VanDerWaalsContact O-N 3.09Å
181I85.8Confident89.2Confident48 Ų4855.8 Ų55.825%0.24631%0.306CS..THydrogen-bonded Turntrans-109.2-34.6-173.7-52.3178.7000110.8N175 G178 K183N175-I181 VanDerWaalsContact CA-CD1 3.5Å; N175-I181 WeakPolarHBondContact O-CD1 3.39Å; N175-I181 WeakPolarHBondContact O-CG2 3.31Å; G178-I181 PolarHBondContact O-N 3.09Å; I181-K183 PolarHBondContact O-N 2.97Å; I181-K183 VanDerWaalsContact O-N 3.12Å
182L87.7Confident89Confident27 Ų2751.6 Ų51.614%0.14129%0.289CS..PPolyproline II helixtrans-57.3117.1-179.9-75.3173000111.7I2 V12 L177 G178I2-L182 HydrophobicContact CD1-CD1 4.12Å; V12-L182 HydrophobicContact CG2-CD1 3.87Å; L177-L182 HydrophobicContact CD2-CD2 4.49Å; L177-L182 WeakPolarHBondContact O-CD1 3.3Å; G178-L182 WeakPolarHBondContact O-CG 3.25Å; G178-L182 PolarHBondContact O-N 2.86Å; G178-L182 VanDerWaalsContact O-N 3.08Å
183K88.8Confident88.9Confident112 Ų11254.4 Ų54.449%0.48731%0.307SS..PPolyproline II helixtrans-97.7143173.4-64.6175.5-176.3172.70110.4E134 I181E134-K183 IonicContact OE2-NZ 2.63Å; I181-K183 PolarHBondContact O-N 2.97Å; I181-K183 VanDerWaalsContact O-N 3.12Å
184P92.1Very high88.8Confident46 Ų4654.4 Ų54.430%0.29931%0.309SS..PPolyproline II helixtrans-63.2150.6171.828.5-34.5000110.3F10 Q82 I186 T191F10-P184 HydrophobicContact CZ-CG 4.37Å; Q82-P184 PolarHBondContact NE2-O 3.38Å; P184-I186 PolarHBondContact O-N 3.33Å; P184-T191 HydrophobicContact CB-CG2 4.44Å; P184-T191 HydrophobicContact CG-CG2 4.14Å
185K94.1Very high88.7Confident14 Ų1461.8 Ų61.86%0.06133%0.329CS..PPolyproline II helixtrans-65.1124.9174.1178.755.1169.5-1790109.9I39 V40 S41 Q82 V187 T191 V192 M197I39-K185 WeakPolarHBondContact O-CE 3.2Å; I39-K185 PolarHBondContact O-NZ 3.01Å; V40-K185 WeakPolarHBondContact O-CE 3.23Å; S41-K185 WeakPolarHBondContact O-CE 3.28Å; S41-K185 PolarHBondContact O-NZ 3.29Å; Q82-K185 VanDerWaalsContact OE1-CD 3.22Å; K185-V187 HydrophobicContact CD-CG2 4.3Å; K185-V187 HydrophobicContact CG-CG2 4.2Å; K185-T191 WeakPolarHBondContact O-CA 3.34Å; K185-V192 HydrophobicContact CB-CB 4.38Å; K185-V192 HydrophobicContact CG-CB 4.33Å; K185-V192 HydrophobicContact CG-CG2 4.3Å; K185-V192 PolarHBondContact O-N 3.41Å; K185-M197 HydrophobicContact CB-CE 3.88Å; K185-M197 HydrophobicContact CG-CE 4Å
186I91.2Very high88.6Confident55 Ų5562.2 Ų62.228%0.28233%0.328SS..EExtended strand (participates in β ladder)trans-108.4133173.8-59.4175000108.5Q82 P184 K190 T191Q82-I186 VanDerWaalsContact OE1-N 3.11Å; P184-I186 PolarHBondContact O-N 3.33Å; I186-K190 WeakPolarHBondContact CA-O 3.5Å; I186-T191 HydrophobicContact CG1-CG2 4.44Å
187V86.4Confident88.6Confident14 Ų1464.2 Ų64.29%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-135.3130.1169.4-174.30000108.5K185 G189 K190 V192 Y200K185-V187 HydrophobicContact CD-CG2 4.3Å; K185-V187 HydrophobicContact CG-CG2 4.2Å; V187-G189 PolarHBondContact O-N 2.92Å; V187-K190 PolarHBondContact N-O 3.26Å; V187-K190 PolarHBondContact O-N 3.5Å; V187-K190 VanDerWaalsContact O-N 3.08Å; V187-V192 HydrophobicContact CB-CG2 4Å; V187-V192 HydrophobicContact CG2-CG2 3.74Å; V187-Y200 HydrophobicContact CB-CD1 4.35Å; V187-Y200 HydrophobicContact CB-CE1 3.66Å; V187-Y200 HydrophobicContact CG1-CD1 4.2Å; V187-Y200 HydrophobicContact CG1-CE1 3.57Å; V187-Y200 HydrophobicContact CG2-CD1 4.17Å; V187-Y200 HydrophobicContact CG2-CE1 3.95Å
188N81.8Confident88.7Confident29 Ų2965.8 Ų65.816%0.15535%0.346CS..THydrogen-bonded Turntrans51.843.3-177.1-52.5-35.2000112.3F77 K190 I227F77-N188 HydrophobicContact CD1-CB 3.91Å; F77-N188 VanDerWaalsContact CD1-O 3.3Å; F77-N188 WeakPolarHBondContact CD1-O 3.34Å; F77-N188 HydrophobicContact CE1-CB 4.21Å; F77-N188 HydrophobicContact CG-CB 4.16Å; N188-K190 PolarHBondContact O-N 3.21Å; N188-I227 HydrophobicContact CB-CD1 4.21Å; N188-I227 HydrophobicContact CB-CG1 4.46Å; N188-I227 WeakPolarHBondContact ND2-CD1 3.4Å; N188-I227 WeakPolarHBondContact ND2-CG1 3.09Å
189G83.3Confident88.7Confident52 Ų5269 Ų6954%0.53636%0.36SS..THydrogen-bonded Turntrans72.24.9179.900000116V187V187-G189 PolarHBondContact O-N 2.92Å
190K86.8Confident89Confident101 Ų10166.8 Ų66.844%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-117.2141.3179.3-63.1-175.6-171.9175.70112.2I186 V187 N188 E230I186-K190 WeakPolarHBondContact CA-O 3.5Å; V187-K190 PolarHBondContact N-O 3.26Å; V187-K190 PolarHBondContact O-N 3.5Å; V187-K190 VanDerWaalsContact O-N 3.08Å; N188-K190 PolarHBondContact O-N 3.21Å; K190-E230 IonicContact NZ-OE1 3.44Å; K190-E230 IonicContact NZ-OE2 3.78Å; K190-E230 PolarHBondContact NZ-OE2 3.18Å
191T91Very high89.4Confident91 Ų9165.3 Ų65.356%0.55834%0.335SS*.EExtended strand (participates in β ladder)trans-68133.8172.454.40000111.4P184 K185 I186P184-T191 HydrophobicContact CB-CG2 4.44Å; P184-T191 HydrophobicContact CG-CG2 4.14Å; K185-T191 WeakPolarHBondContact O-CA 3.34Å; I186-T191 HydrophobicContact CG1-CG2 4.44Å
192V91.6Very high89.6Confident22 Ų2269.8 Ų69.813%0.13335%0.353CS..PPolyproline II helixtrans-97.5131.1-177-1780000110.7K185 V187 K196 M197 Y200K185-V192 HydrophobicContact CB-CB 4.38Å; K185-V192 HydrophobicContact CG-CB 4.33Å; K185-V192 HydrophobicContact CG-CG2 4.3Å; K185-V192 PolarHBondContact O-N 3.41Å; V187-V192 HydrophobicContact CB-CG2 4Å; V187-V192 HydrophobicContact CG2-CG2 3.74Å; V192-K196 HydrophobicContact CG1-CB 3.95Å; V192-M197 HydrophobicContact CG1-CB 4Å; V192-Y200 HydrophobicContact CG2-CE1 4.49Å
193T92Very high89.8Confident76 Ų7670.1 Ų70.147%0.46635%0.353SS..PPolyproline II helixtrans-89.7159.2172.464.40000110.8R195 K196 M197T193-R195 PolarHBondContact O-N 2.79Å; T193-K196 CarbonylContact O-C 3.48Å; T193-K196 WeakPolarHBondContact O-CA 3.45Å; T193-K196 PolarHBondContact O-N 3.44Å; T193-K196 PolarHBondContact OG1-N 3.38Å; T193-M197 PolarHBondContact O-N 3.09Å
194C91.3Very high89.9Confident68 Ų6864.9 Ų64.946%0.45933%0.331SS..Hα-helixtrans-55.6-38.3178.7-58.90000113.5A11 K196 M197 I198A11-C194 WeakPolarHBondContact CB-SG 3.47Å; C194-K196 VanDerWaalsContact C-N 3.35Å; C194-K196 PolarHBondContact O-N 3.23Å; C194-M197 WeakPolarHBondContact O-CB 3.19Å; C194-M197 PolarHBondContact O-N 3.26Å; C194-I198 PolarHBondContact O-N 3.07Å
195R89.8Confident89.7Confident218 Ų21864.4 Ų64.482%0.82333%0.331SS*.Hα-helixtrans-62.3-44.3176.6-176.3-179.7-64.6178.50.7111.2T193T193-R195 PolarHBondContact O-N 2.79Å
196K89.6Confident89.5Confident69 Ų6966.6 Ų66.630%0.335%0.351SS..Hα-helixtrans-66.9-41.4175.9-71.5-174.6-178.7-177.10110.6V192 T193 C194 I198 Q199 Y200 E230V192-K196 HydrophobicContact CG1-CB 3.95Å; T193-K196 CarbonylContact O-C 3.48Å; T193-K196 WeakPolarHBondContact O-CA 3.45Å; T193-K196 PolarHBondContact O-N 3.44Å; T193-K196 PolarHBondContact OG1-N 3.38Å; C194-K196 VanDerWaalsContact C-N 3.35Å; C194-K196 PolarHBondContact O-N 3.23Å; K196-I198 PolarHBondContact O-N 3.24Å; K196-I198 VanDerWaalsContact O-N 3.16Å; K196-Q199 WeakPolarHBondContact O-CA 3.35Å; K196-Q199 VanDerWaalsContact O-CB 3.29Å; K196-Q199 WeakPolarHBondContact O-CB 3.2Å; K196-Q199 PolarHBondContact O-N 3.43Å; K196-Y200 HydrophobicContact CB-CD2 4.33Å; K196-Y200 HydrophobicContact CB-CE2 4.1Å; K196-Y200 WeakPolarHBondContact O-CD2 3.11Å; K196-Y200 PolarHBondContact O-N 3.45Å; K196-E230 IonicContact NZ-OE1 2.79Å; K196-E230 PolarHBondContact NZ-OE1 3.35Å
197M91.6Very high89.3Confident44 Ų4465.9 Ų65.922%0.21735%0.351CS..Hα-helixtrans-54.2-39.1-179.4-174.5167.7-86.300112.9V40 K185 V192 T193 C194 Q199 Y200 F201V40-M197 HydrophobicContact CG1-CG 4.25Å; V40-M197 HydrophobicContact CG1-SD 4.48Å; K185-M197 HydrophobicContact CB-CE 3.88Å; K185-M197 HydrophobicContact CG-CE 4Å; V192-M197 HydrophobicContact CG1-CB 4Å; T193-M197 PolarHBondContact O-N 3.09Å; C194-M197 WeakPolarHBondContact O-CB 3.19Å; C194-M197 PolarHBondContact O-N 3.26Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 3.11Å; M197-Y200 PolarHBondContact O-N 2.71Å; M197-F201 WeakPolarHBondContact O-CB 3.41Å; M197-F201 PolarHBondContact O-N 3Å
198I90.8Very high89.2Confident107 Ų10766 Ų6655%0.54935%0.35SS..Hα-helixtrans-61.5-40.9174.2-64.3168.7000111.6C194 K196 K202C194-I198 PolarHBondContact O-N 3.07Å; K196-I198 PolarHBondContact O-N 3.24Å; K196-I198 VanDerWaalsContact O-N 3.16Å; I198-K202 HydrophobicContact CG2-CD 4.44Å; I198-K202 WeakPolarHBondContact O-CG 3.34Å; I198-K202 PolarHBondContact O-N 2.85Å; I198-K202 VanDerWaalsContact O-N 3.11Å
199Q90Very high88.9Confident73 Ų7371.6 Ų71.634%0.34138%0.38SS..Hα-helixtrans-66.8-42.7177.5-174.2-179.6-8.400111.4K196 M197 F201 K202 E203 L226K196-Q199 WeakPolarHBondContact O-CA 3.35Å; K196-Q199 VanDerWaalsContact O-CB 3.29Å; K196-Q199 WeakPolarHBondContact O-CB 3.2Å; K196-Q199 PolarHBondContact O-N 3.43Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 3.11Å; Q199-F201 VanDerWaalsContact C-N 3.35Å; Q199-F201 PolarHBondContact O-N 3.18Å; Q199-K202 PolarHBondContact O-N 2.92Å; Q199-E203 WeakPolarHBondContact O-CG 3.35Å; Q199-E203 PolarHBondContact O-N 3.34Å; Q199-L226 HydrophobicContact CG-CD2 4.18Å
200Y90.5Very high88.4Confident19 Ų1971.5 Ų71.58%0.07538%0.379CS..Hα-helixtrans-60.2-47.6176.4-79.8-119.4000110.5V187 V192 K196 M197 K202 E203 Y204 L226V187-Y200 HydrophobicContact CB-CD1 4.35Å; V187-Y200 HydrophobicContact CB-CE1 3.66Å; V187-Y200 HydrophobicContact CG1-CD1 4.2Å; V187-Y200 HydrophobicContact CG1-CE1 3.57Å; V187-Y200 HydrophobicContact CG2-CD1 4.17Å; V187-Y200 HydrophobicContact CG2-CE1 3.95Å; V192-Y200 HydrophobicContact CG2-CE1 4.49Å; K196-Y200 HydrophobicContact CB-CD2 4.33Å; K196-Y200 HydrophobicContact CB-CE2 4.1Å; K196-Y200 WeakPolarHBondContact O-CD2 3.11Å; K196-Y200 PolarHBondContact O-N 3.45Å; M197-Y200 PolarHBondContact O-N 2.71Å; Y200-K202 VanDerWaalsContact C-N 3.31Å; Y200-K202 PolarHBondContact O-N 3.05Å; Y200-E203 PolarHBondContact O-N 3.3Å; Y200-Y204 AromaticContact CD1-CE2 3.97Å; Y200-Y204 HydrophobicContact CD1-CE2 3.97Å; Y200-Y204 HydrophobicContact CG-CE2 4.45Å; Y200-Y204 WeakPolarHBondContact O-CD2 3.34Å; Y200-Y204 PolarHBondContact O-N 3.49Å; Y200-L226 HydrophobicContact CD1-CD1 3.6Å; Y200-L226 HydrophobicContact CD2-CD1 4.32Å; Y200-L226 HydrophobicContact CD2-CD2 3.96Å; Y200-L226 HydrophobicContact CE1-CD1 3.91Å; Y200-L226 HydrophobicContact CE2-CD2 4.23Å; Y200-L226 HydrophobicContact CG-CD1 3.84Å; Y200-L226 HydrophobicContact CG-CD2 4.23Å
201F90.8Very high87.3Confident87 Ų8775 Ų7538%0.38240%0.397SS..Hα-helixtrans-56.4-45.1177.8-166.2-87.9000111.9M15 V40 M197 Q199 A205M15-F201 HydrophobicContact CE-CE2 4.15Å; V40-F201 HydrophobicContact CG1-CD2 4.32Å; V40-F201 HydrophobicContact CG2-CD2 3.98Å; M197-F201 WeakPolarHBondContact O-CB 3.41Å; M197-F201 PolarHBondContact O-N 3Å; Q199-F201 VanDerWaalsContact C-N 3.35Å; Q199-F201 PolarHBondContact O-N 3.18Å; F201-A205 WeakPolarHBondContact O-CB 3.49Å; F201-A205 PolarHBondContact O-N 2.88Å
202K91.1Very high86.6Confident142 Ų14275.6 Ų75.662%0.61740%0.401SS*.Hα-helixtrans-62-44.4177.2-73.8176.7178.4-173.10112.6I198 Q199 Y200 A206I198-K202 HydrophobicContact CG2-CD 4.44Å; I198-K202 WeakPolarHBondContact O-CG 3.34Å; I198-K202 PolarHBondContact O-N 2.85Å; I198-K202 VanDerWaalsContact O-N 3.11Å; Q199-K202 PolarHBondContact O-N 2.92Å; Y200-K202 VanDerWaalsContact C-N 3.31Å; Y200-K202 PolarHBondContact O-N 3.05Å; K202-A206 VanDerWaalsContact O-CB 3.28Å; K202-A206 WeakPolarHBondContact O-CB 3.34Å; K202-A206 PolarHBondContact O-N 3Å
203E90.5Very high86.1Confident33 Ų3378 Ų7815%0.15441%0.412CS..Hα-helixtrans-70.8-38.6-178.3-66.4-61.5162.700112.3Q199 Y200 S207 K225 L226Q199-E203 WeakPolarHBondContact O-CG 3.35Å; Q199-E203 PolarHBondContact O-N 3.34Å; Y200-E203 PolarHBondContact O-N 3.3Å; E203-S207 WeakPolarHBondContact O-CB 3.36Å; E203-S207 PolarHBondContact O-N 3.14Å; E203-S207 PolarHBondContact O-OG 2.92Å; E203-K225 IonicContact OE1-NZ 3.95Å; E203-K225 WeakPolarHBondContact OE2-CD 3.48Å; E203-K225 WeakPolarHBondContact OE2-CE 3.26Å; E203-K225 IonicContact OE2-NZ 3.82Å; E203-K225 PolarHBondContact OE2-NZ 2.97Å; E203-L226 HydrophobicContact CB-CD1 4.27Å; E203-L226 HydrophobicContact CB-CD2 4.02Å; E203-L226 HydrophobicContact CB-CG 4.1Å; E203-L226 HydrophobicContact CG-CD2 3.64Å; E203-L226 HydrophobicContact CG-CG 4.12Å
204Y91.1Very high85.7Confident3 Ų374.9 Ų74.91%0.01239%0.394CS..Hα-helixtrans-68.1-44.5174.2-64.2-49.5000111.7I39 V40 Y200 A206 S207 F208 A222 N223 L226I39-Y204 HydrophobicContact CG2-CD1 4.23Å; I39-Y204 HydrophobicContact CG2-CD2 3.84Å; I39-Y204 HydrophobicContact CG2-CE1 3.87Å; I39-Y204 HydrophobicContact CG2-CE2 3.43Å; I39-Y204 VanDerWaalsContact CG2-CE2 3.43Å; I39-Y204 HydrophobicContact CG2-CG 4.24Å; I39-Y204 VanDerWaalsContact CG2-CZ 3.44Å; V40-Y204 HydrophobicContact CG2-CD2 4.04Å; V40-Y204 HydrophobicContact CG2-CE2 4.49Å; Y200-Y204 AromaticContact CD1-CE2 3.97Å; Y200-Y204 HydrophobicContact CD1-CE2 3.97Å; Y200-Y204 HydrophobicContact CG-CE2 4.45Å; Y200-Y204 WeakPolarHBondContact O-CD2 3.34Å; Y200-Y204 PolarHBondContact O-N 3.49Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-N 3.09Å; Y204-S207 VanDerWaalsContact O-N 3.08Å; Y204-F208 VanDerWaalsContact O-CD2 3.25Å; Y204-F208 WeakPolarHBondContact O-CD2 3.42Å; Y204-F208 PolarHBondContact O-N 3.15Å; Y204-F208 VanDerWaalsContact O-N 3.09Å; Y204-A222 HydrophobicContact CD1-CB 3.65Å; Y204-A222 HydrophobicContact CE1-CB 3.86Å; Y204-N223 WeakPolarHBondContact CE1-OD1 3.44Å; Y204-N223 PolarHBondContact OH-OD1 3.35Å; Y204-L226 HydrophobicContact CE1-CD1 4.24Å
205A89.4Confident85.5Confident36 Ų3676.3 Ų76.330%0.29839%0.394SS..Hα-helixtrans-58.8-44.3176.500000111.4F201 S207 F208 D209F201-A205 WeakPolarHBondContact O-CB 3.49Å; F201-A205 PolarHBondContact O-N 2.88Å; A205-S207 VanDerWaalsContact C-N 3.29Å; A205-S207 PolarHBondContact O-N 3.24Å; A205-F208 CarbonylContact O-C 3.59Å; A205-F208 PolarHBondContact O-N 3.2Å; A205-D209 PolarHBondContact O-N 3.36Å
206A89.4Confident85.4Confident59 Ų5966.2 Ų66.249%0.48836%0.357SS..Hα-helixtrans-65.5-30.4175.800000113.1K202 Y204 F208 D209K202-A206 VanDerWaalsContact O-CB 3.28Å; K202-A206 WeakPolarHBondContact O-CB 3.34Å; K202-A206 PolarHBondContact O-N 3Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.35Å; A206-F208 VanDerWaalsContact C-N 3.29Å; A206-D209 WeakPolarHBondContact O-CB 3.44Å; A206-D209 PolarHBondContact O-N 2.93Å
207S86.3Confident85.4Confident41 Ų4169.3 Ų69.329%0.28737%0.372SS..Hα-helixtrans-77.9-16.4178.6-59.40000113.2E203 Y204 A205 A222E203-S207 WeakPolarHBondContact O-CB 3.36Å; E203-S207 PolarHBondContact O-N 3.14Å; E203-S207 PolarHBondContact O-OG 2.92Å; Y204-S207 PolarHBondContact O-N 3.09Å; Y204-S207 VanDerWaalsContact O-N 3.08Å; A205-S207 VanDerWaalsContact C-N 3.29Å; A205-S207 PolarHBondContact O-N 3.24Å; S207-A222 WeakPolarHBondContact OG-CB 3.48Å
208F84.8Confident85.2Confident15 Ų1568.9 Ų68.97%0.06637%0.373CS..THydrogen-bonded Turntrans-107.28.1172.3-57.4-44.1000112.8T32 A35 L36 I39 Y204 A205 A206 G210 P214 I219T32-F208 HydrophobicContact CG2-CB 3.78Å; T32-F208 HydrophobicContact CG2-CD2 4.41Å; T32-F208 HydrophobicContact CG2-CG 4.39Å; A35-F208 HydrophobicContact CB-CE2 4.27Å; A35-F208 HydrophobicContact CB-CZ 4.31Å; L36-F208 HydrophobicContact CD1-CD2 4.37Å; L36-F208 HydrophobicContact CD2-CD2 3.58Å; L36-F208 HydrophobicContact CD2-CE2 3.76Å; L36-F208 HydrophobicContact CG-CD2 3.7Å; L36-F208 HydrophobicContact CG-CE2 3.98Å; I39-F208 HydrophobicContact CD1-CE2 3.94Å; I39-F208 HydrophobicContact CD1-CZ 3.76Å; Y204-F208 VanDerWaalsContact O-CD2 3.25Å; Y204-F208 WeakPolarHBondContact O-CD2 3.42Å; Y204-F208 PolarHBondContact O-N 3.15Å; Y204-F208 VanDerWaalsContact O-N 3.09Å; A205-F208 CarbonylContact O-C 3.59Å; A205-F208 PolarHBondContact O-N 3.2Å; A206-F208 VanDerWaalsContact C-N 3.29Å; F208-G210 PolarHBondContact O-N 3.15Å; F208-P214 HydrophobicContact CD1-CB 3.55Å; F208-P214 HydrophobicContact CE1-CB 3.44Å; F208-P214 VanDerWaalsContact CE1-CB 3.44Å; F208-P214 HydrophobicContact CG-CB 4.25Å; F208-P214 HydrophobicContact CZ-CB 4.06Å; F208-I219 HydrophobicContact CE1-CG1 3.9Å; F208-I219 HydrophobicContact CZ-CD1 4.18Å; F208-I219 HydrophobicContact CZ-CG1 3.59Å
209D75.9Confident85.1Confident147 Ų14763.8 Ų63.879%0.78635%0.347SS*.  trans-74.993.1178.4-163.519.3000108.8A205 A206A205-D209 PolarHBondContact O-N 3.36Å; A206-D209 WeakPolarHBondContact O-CB 3.44Å; A206-D209 PolarHBondContact O-N 2.93Å
210G71.8Confident85Confident50 Ų5061.1 Ų61.152%0.51534%0.335SS..SBendtrans176.2168.7-177.900000112.7F208 T212F208-G210 PolarHBondContact O-N 3.15Å; G210-T212 PolarHBondContact O-N 3.35Å
211E63.2Low84.9Confident175 Ų17563 Ų6382%0.81835%0.346SS*.SBendtrans-84.98.2176.1-62.6-173.1168.200113Q28Q28-E211 PolarHBondContact NE2-O 3.47Å; Q28-E211 PolarHBondContact OE1-O 3.36Å
212T77.1Confident84.9Confident104 Ų10458.9 Ų58.964%0.63833%0.328SS*.SBendtrans-102.5150.7-178560000111.1G210G210-T212 PolarHBondContact O-N 3.35Å
213L81.5Confident84.8Confident71 Ų7152.3 Ų52.337%0.37230%0.3SS..PPolyproline II helixtrans-60141175.4-75.6169000110.3Y27 Q28 M31 Q215Y27-L213 HydrophobicContact CD1-CD2 4.28Å; Y27-L213 HydrophobicContact CE1-CD2 4.31Å; Q28-L213 HydrophobicContact CB-CD2 4.15Å; Q28-L213 HydrophobicContact CG-CD2 3.79Å; Q28-L213 HydrophobicContact CG-CG 4.16Å; M31-L213 HydrophobicContact CB-CD2 4.19Å; M31-L213 HydrophobicContact CG-CD2 4.37Å; L213-Q215 WeakPolarHBondContact O-CG 3.35Å; L213-Q215 PolarHBondContact O-N 2.91Å; L213-Q215 PolarHBondContact O-NE2 3.41Å
214P83.5Confident84.7Confident11 Ų1151 Ų517%0.07130%0.295CS..PPolyproline II helixtrans-55.9129178.123.2-33.1000110M31 A35 L62 F208M31-P214 HydrophobicContact CB-CG 4.48Å; A35-P214 HydrophobicContact CB-CB 4.34Å; A35-P214 HydrophobicContact CB-CG 4.17Å; L62-P214 VanDerWaalsContact CD1-O 3.31Å; L62-P214 WeakPolarHBondContact CD1-O 3.26Å; L62-P214 HydrophobicContact CD2-CB 3.99Å; L62-P214 HydrophobicContact CD2-CG 3.83Å; F208-P214 HydrophobicContact CD1-CB 3.55Å; F208-P214 HydrophobicContact CE1-CB 3.44Å; F208-P214 VanDerWaalsContact CE1-CB 3.44Å; F208-P214 HydrophobicContact CG-CB 4.25Å; F208-P214 HydrophobicContact CZ-CB 4.06Å
215Q87.5Confident84.6Confident98 Ų9854.3 Ų54.346%0.45831%0.309SS..  trans-104.3146.2-178-63.2-60.8-49.500110.9L213 Q217 S218 I219L213-Q215 WeakPolarHBondContact O-CG 3.35Å; L213-Q215 PolarHBondContact O-N 2.91Å; L213-Q215 PolarHBondContact O-NE2 3.41Å; Q215-Q217 PolarHBondContact O-N 3.29Å; Q215-S218 WeakPolarHBondContact O-CB 3.48Å; Q215-S218 PolarHBondContact O-N 3.47Å; Q215-I219 PolarHBondContact O-N 3.28Å
216P87.9Confident84.6Confident7 Ų752.9 Ų52.95%0.04530%0.296CS..Hα-helixtrans-54.9-38.4175.6-23.529.6000113.1L62 E65 I69 S218 I219 L220L62-P216 HydrophobicContact CD1-CG 3.86Å; E65-P216 HydrophobicContact CB-CB 4.27Å; E65-P216 HydrophobicContact CB-CG 3.63Å; E65-P216 WeakPolarHBondContact OE2-CG 3.46Å; I69-P216 HydrophobicContact CD1-CB 3.68Å; P216-S218 VanDerWaalsContact C-N 3.29Å; P216-S218 PolarHBondContact O-N 3.49Å; P216-I219 PolarHBondContact O-N 2.97Å; P216-L220 PolarHBondContact O-N 3.36Å; P216-L220 VanDerWaalsContact O-N 3.13Å
217Q88Confident84.6Confident133 Ų13350.9 Ų50.962%0.62128%0.277SS*.Hα-helixtrans-64.1-33.3178.8-65.3-179.45.200112.4Q215 I219 L220 N221Q215-Q217 PolarHBondContact O-N 3.29Å; Q217-I219 VanDerWaalsContact C-N 3.33Å; Q217-I219 PolarHBondContact O-N 3.5Å; Q217-L220 PolarHBondContact O-N 2.96Å; Q217-N221 WeakPolarHBondContact O-CB 3.31Å; Q217-N221 VanDerWaalsContact O-CG 3.26Å; Q217-N221 PolarHBondContact O-N 3.44Å; Q217-N221 PolarHBondContact O-ND2 2.85Å
218S88.5Confident84.8Confident35 Ų3549.1 Ų49.125%0.24527%0.265CS..Hα-helixtrans-63.2-41.4176-58.70000111.1Q215 P216 N221 A222Q215-S218 WeakPolarHBondContact O-CB 3.48Å; Q215-S218 PolarHBondContact O-N 3.47Å; P216-S218 VanDerWaalsContact C-N 3.29Å; P216-S218 PolarHBondContact O-N 3.49Å; S218-N221 PolarHBondContact O-N 3.41Å; S218-A222 VanDerWaalsContact O-CB 3.31Å; S218-A222 WeakPolarHBondContact O-CB 3.2Å; S218-A222 PolarHBondContact O-N 3.43Å
219I89.1Confident85Confident1 Ų150.1 Ų50.11%0.00527%0.271CS..Hα-helixtrans-64.8-45.9177-55.2169.5000110.4I39 L62 Y66 F208 Q215 P216 Q217 N221 A222 N223I39-I219 HydrophobicContact CD1-CD1 3.6Å; I39-I219 HydrophobicContact CD1-CG1 3.74Å; I39-I219 HydrophobicContact CD1-CG2 4.04Å; I39-I219 HydrophobicContact CG1-CD1 4.46Å; L62-I219 HydrophobicContact CD1-CD1 4.36Å; L62-I219 HydrophobicContact CG-CD1 4.38Å; Y66-I219 HydrophobicContact CD1-CG2 4.26Å; Y66-I219 HydrophobicContact CD2-CB 3.61Å; Y66-I219 HydrophobicContact CD2-CD1 4.33Å; Y66-I219 HydrophobicContact CD2-CG2 3.67Å; Y66-I219 HydrophobicContact CE1-CG2 4.01Å; Y66-I219 HydrophobicContact CE2-CB 3.72Å; Y66-I219 HydrophobicContact CE2-CG2 3.4Å; Y66-I219 VanDerWaalsContact CE2-CG2 3.4Å; Y66-I219 HydrophobicContact CG-CB 4.23Å; Y66-I219 HydrophobicContact CG-CD1 4.15Å; Y66-I219 HydrophobicContact CG-CG2 4.1Å; F208-I219 HydrophobicContact CE1-CG1 3.9Å; F208-I219 HydrophobicContact CZ-CD1 4.18Å; F208-I219 HydrophobicContact CZ-CG1 3.59Å; Q215-I219 PolarHBondContact O-N 3.28Å; P216-I219 PolarHBondContact O-N 2.97Å; Q217-I219 VanDerWaalsContact C-N 3.33Å; Q217-I219 PolarHBondContact O-N 3.5Å; I219-N221 PolarHBondContact O-N 3.34Å; I219-A222 PolarHBondContact O-N 2.94Å; I219-N223 WeakPolarHBondContact O-CB 3.41Å; I219-N223 PolarHBondContact O-N 3.5Å; I219-N223 PolarHBondContact O-ND2 3.48Å
220L88.1Confident85.7Confident17 Ų1745.1 Ų45.19%0.08924%0.243CC..Hα-helixtrans-60.4-46.7178.1-174.375.3000111.5Y66 I69 Q73 P216 Q217 N223 A224 I279Y66-L220 HydrophobicContact CE2-CB 4.14Å; Y66-L220 HydrophobicContact CE2-CD1 4.44Å; I69-L220 HydrophobicContact CG2-CD1 4.47Å; I69-L220 HydrophobicContact CG2-CD2 3.7Å; Q73-L220 HydrophobicContact CG-CD1 4.12Å; P216-L220 PolarHBondContact O-N 3.36Å; P216-L220 VanDerWaalsContact O-N 3.13Å; Q217-L220 PolarHBondContact O-N 2.96Å; L220-N223 PolarHBondContact O-N 2.94Å; L220-A224 WeakPolarHBondContact O-CB 3.34Å; L220-A224 PolarHBondContact O-N 3.34Å; L220-I279 HydrophobicContact CD1-CG2 3.76Å; L220-I279 HydrophobicContact CG-CG2 4.14Å
221N88.1Confident86.6Confident57 Ų5743.3 Ų43.331%0.30522%0.223SC..Hα-helixtrans-66-38.8179.3-73-27.4000111.9Q217 S218 I219 N223 A224 K225 A281Q217-N221 WeakPolarHBondContact O-CB 3.31Å; Q217-N221 VanDerWaalsContact O-CG 3.26Å; Q217-N221 PolarHBondContact O-N 3.44Å; Q217-N221 PolarHBondContact O-ND2 2.85Å; S218-N221 PolarHBondContact O-N 3.41Å; I219-N221 PolarHBondContact O-N 3.34Å; N221-N223 VanDerWaalsContact C-N 3.34Å; N221-N223 PolarHBondContact O-N 3.36Å; N221-A224 PolarHBondContact O-N 3.49Å; N221-K225 WeakPolarHBondContact O-CB 3.36Å; N221-K225 PolarHBondContact O-N 3.22Å; N221-A281 PolarHBondContact OD1-N 3.4Å
222A89.8Confident88Confident1 Ų135.6 Ų35.61%0.00819%0.189CC..Hα-helixtrans-60.5-44.1172.800000111.3Y204 S207 S218 I219 K225 L226Y204-A222 HydrophobicContact CD1-CB 3.65Å; Y204-A222 HydrophobicContact CE1-CB 3.86Å; S207-A222 WeakPolarHBondContact OG-CB 3.48Å; S218-A222 VanDerWaalsContact O-CB 3.31Å; S218-A222 WeakPolarHBondContact O-CB 3.2Å; S218-A222 PolarHBondContact O-N 3.43Å; I219-A222 PolarHBondContact O-N 2.94Å; A222-K225 WeakPolarHBondContact O-CB 3.48Å; A222-K225 PolarHBondContact O-N 3.25Å; A222-L226 WeakPolarHBondContact O-CB 3.44Å; A222-L226 WeakPolarHBondContact O-CG 3.22Å; A222-L226 PolarHBondContact O-N 3.01Å
223N89.1Confident88.7Confident5 Ų536.6 Ų36.63%0.02719%0.186CC..Hα-helixtrans-64.8-44.6176.4-79-28.7000112.6Y66 Y204 I219 L220 N221 K225 L226 I227Y66-N223 PolarHBondContact OH-ND2 3.44Å; Y204-N223 WeakPolarHBondContact CE1-OD1 3.44Å; Y204-N223 PolarHBondContact OH-OD1 3.35Å; I219-N223 WeakPolarHBondContact O-CB 3.41Å; I219-N223 PolarHBondContact O-N 3.5Å; I219-N223 PolarHBondContact O-ND2 3.48Å; L220-N223 PolarHBondContact O-N 2.94Å; N221-N223 VanDerWaalsContact C-N 3.34Å; N221-N223 PolarHBondContact O-N 3.36Å; N223-K225 VanDerWaalsContact C-N 3.3Å; N223-K225 PolarHBondContact O-N 3.13Å; N223-L226 PolarHBondContact O-N 3.21Å; N223-I227 VanDerWaalsContact O-CG1 3.26Å; N223-I227 WeakPolarHBondContact O-CG1 3.43Å; N223-I227 PolarHBondContact O-N 2.66Å
224A87.8Confident89.3Confident4 Ų438.3 Ų38.33%0.03319%0.193CC..Hα-helixtrans-57.4-44.817400000111.7L220 N221 I227 C228 I279L220-A224 WeakPolarHBondContact O-CB 3.34Å; L220-A224 PolarHBondContact O-N 3.34Å; N221-A224 PolarHBondContact O-N 3.49Å; A224-I227 PolarHBondContact O-N 2.93Å; A224-C228 WeakPolarHBondContact O-CB 3.37Å; A224-C228 PolarHBondContact O-N 3.32Å; A224-C228 PolarHBondContact O-SG 3.4Å; A224-I279 HydrophobicContact CB-CB 4.23Å; A224-I279 HydrophobicContact CB-CG2 4.23Å; A224-I279 WeakPolarHBondContact CB-O 3.43Å
225K89.6Confident89.9Confident74 Ų7437.8 Ų37.832%0.32219%0.189SC..Hα-helixtrans-61.2-47.1176.6-171.7-179178.1-167.50111.5E203 N221 A222 N223 I227 C228 I229 V284 L288E203-K225 IonicContact OE1-NZ 3.95Å; E203-K225 WeakPolarHBondContact OE2-CD 3.48Å; E203-K225 WeakPolarHBondContact OE2-CE 3.26Å; E203-K225 IonicContact OE2-NZ 3.82Å; E203-K225 PolarHBondContact OE2-NZ 2.97Å; N221-K225 WeakPolarHBondContact O-CB 3.36Å; N221-K225 PolarHBondContact O-N 3.22Å; A222-K225 WeakPolarHBondContact O-CB 3.48Å; A222-K225 PolarHBondContact O-N 3.25Å; N223-K225 VanDerWaalsContact C-N 3.3Å; N223-K225 PolarHBondContact O-N 3.13Å; K225-I227 PolarHBondContact O-N 3.49Å; K225-C228 PolarHBondContact O-N 3.39Å; K225-I229 HydrophobicContact CG-CD1 3.96Å; K225-I229 VanDerWaalsContact O-CG1 3.29Å; K225-I229 WeakPolarHBondContact O-CG1 3.37Å; K225-I229 PolarHBondContact O-N 3.28Å; K225-V284 HydrophobicContact CB-CG1 3.84Å; K225-V284 HydrophobicContact CG-CG1 3.91Å; K225-L288 HydrophobicContact CG-CD1 4.35Å
226L89.8Confident90.3Very high5 Ų535.6 Ų35.63%0.02618%0.178CC..Hα-helixtrans-61.2-43.8178.5-76.5164.2000112.4Q199 Y200 E203 Y204 A222 N223 C228 I229 E230Q199-L226 HydrophobicContact CG-CD2 4.18Å; Y200-L226 HydrophobicContact CD1-CD1 3.6Å; Y200-L226 HydrophobicContact CD2-CD1 4.32Å; Y200-L226 HydrophobicContact CD2-CD2 3.96Å; Y200-L226 HydrophobicContact CE1-CD1 3.91Å; Y200-L226 HydrophobicContact CE2-CD2 4.23Å; Y200-L226 HydrophobicContact CG-CD1 3.84Å; Y200-L226 HydrophobicContact CG-CD2 4.23Å; E203-L226 HydrophobicContact CB-CD1 4.27Å; E203-L226 HydrophobicContact CB-CD2 4.02Å; E203-L226 HydrophobicContact CB-CG 4.1Å; E203-L226 HydrophobicContact CG-CD2 3.64Å; E203-L226 HydrophobicContact CG-CG 4.12Å; Y204-L226 HydrophobicContact CE1-CD1 4.24Å; A222-L226 WeakPolarHBondContact O-CB 3.44Å; A222-L226 WeakPolarHBondContact O-CG 3.22Å; A222-L226 PolarHBondContact O-N 3.01Å; N223-L226 PolarHBondContact O-N 3.21Å; L226-C228 VanDerWaalsContact C-N 3.34Å; L226-C228 PolarHBondContact O-N 3.04Å; L226-I229 PolarHBondContact O-N 3.15Å; L226-E230 PolarHBondContact O-N 3.13Å
227I89.1Confident90.6Very high17 Ų1737.8 Ų37.89%0.08719%0.191CC..Hα-helixtrans-60.3-46.2175.2-65.2166.1000110.2F77 N188 N223 A224 K225 I229 E230 A231 P277 I279F77-I227 HydrophobicContact CZ-CD1 4.24Å; N188-I227 HydrophobicContact CB-CD1 4.21Å; N188-I227 HydrophobicContact CB-CG1 4.46Å; N188-I227 WeakPolarHBondContact ND2-CD1 3.4Å; N188-I227 WeakPolarHBondContact ND2-CG1 3.09Å; N223-I227 VanDerWaalsContact O-CG1 3.26Å; N223-I227 WeakPolarHBondContact O-CG1 3.43Å; N223-I227 PolarHBondContact O-N 2.66Å; A224-I227 PolarHBondContact O-N 2.93Å; K225-I227 PolarHBondContact O-N 3.49Å; I227-I229 PolarHBondContact O-N 3.34Å; I227-E230 PolarHBondContact O-N 3.4Å; I227-A231 PolarHBondContact O-N 2.59Å; I227-P277 HydrophobicContact CG2-CG 4.47Å; I227-I279 HydrophobicContact CD1-CD1 3.71Å
228C90.5Very high91Very high5 Ų534.4 Ų34.43%0.03418%0.177CC..Hα-helixtrans-64.7-40.1179-68.60000112.1A224 K225 L226 E230 A231 A232 F273 L288A224-C228 WeakPolarHBondContact O-CB 3.37Å; A224-C228 PolarHBondContact O-N 3.32Å; A224-C228 PolarHBondContact O-SG 3.4Å; K225-C228 PolarHBondContact O-N 3.39Å; L226-C228 VanDerWaalsContact C-N 3.34Å; L226-C228 PolarHBondContact O-N 3.04Å; C228-E230 VanDerWaalsContact C-N 3.33Å; C228-E230 PolarHBondContact O-N 2.96Å; C228-A231 PolarHBondContact O-N 3.4Å; C228-A232 WeakPolarHBondContact O-CB 3.48Å; C228-A232 PolarHBondContact O-N 2.81Å; C228-F273 HydrophobicContact CB-CE2 4.5Å; C228-L288 HydrophobicContact CB-CB 4.47Å; C228-L288 HydrophobicContact CB-CD1 3.3Å
229I90.1Very high91.5Very high35 Ų3532.8 Ų32.818%0.17917%0.166CC..Hα-helixtrans-62.6-42.6175.5-67.4163.9000110.5K225 L226 I227 A232 H233 L288K225-I229 HydrophobicContact CG-CD1 3.96Å; K225-I229 VanDerWaalsContact O-CG1 3.29Å; K225-I229 WeakPolarHBondContact O-CG1 3.37Å; K225-I229 PolarHBondContact O-N 3.28Å; L226-I229 PolarHBondContact O-N 3.15Å; I227-I229 PolarHBondContact O-N 3.34Å; I229-A232 PolarHBondContact O-N 2.76Å; I229-H233 WeakPolarHBondContact O-CB 3.39Å; I229-H233 PolarHBondContact O-N 2.83Å; I229-L288 HydrophobicContact CG1-CD1 3.95Å; I229-L288 HydrophobicContact CG1-CD2 3.86Å
230E89.2Confident91.8Very high42 Ų4233.8 Ų33.820%0.19617%0.173CC..Hα-helixtrans-61.8-46.8176.8-173.3177-140.400111.3K190 K196 L226 I227 C228 A232 H233 E234K190-E230 IonicContact NZ-OE1 3.44Å; K190-E230 IonicContact NZ-OE2 3.78Å; K190-E230 PolarHBondContact NZ-OE2 3.18Å; K196-E230 IonicContact NZ-OE1 2.79Å; K196-E230 PolarHBondContact NZ-OE1 3.35Å; L226-E230 PolarHBondContact O-N 3.13Å; I227-E230 PolarHBondContact O-N 3.4Å; C228-E230 VanDerWaalsContact C-N 3.33Å; C228-E230 PolarHBondContact O-N 2.96Å; E230-A232 PolarHBondContact O-N 3.42Å; E230-H233 PolarHBondContact O-N 3.4Å; E230-E234 PolarHBondContact O-N 3.24Å
231A91.1Very high92.2Very high12 Ų1240.5 Ų40.510%0.09920%0.197CC..Hα-helixtrans-62.2-41.2177.600000112.2I227 C228 E234 A235 F273 C276I227-A231 PolarHBondContact O-N 2.59Å; C228-A231 PolarHBondContact O-N 3.4Å; A231-E234 PolarHBondContact O-N 3.03Å; A231-A235 WeakPolarHBondContact O-CB 3.28Å; A231-A235 PolarHBondContact O-N 3.35Å; A231-F273 HydrophobicContact CB-CD2 4Å; A231-F273 HydrophobicContact CB-CE2 4.37Å; A231-C276 HydrophobicContact CB-CB 3.87Å
232A92.9Very high92.5Very high13 Ų1338.1 Ų38.111%0.10719%0.186CC..Hα-helixtrans-65-42.5176.400000111.6C228 I229 E230 A235 K236 F273 L292C228-A232 WeakPolarHBondContact O-CB 3.48Å; C228-A232 PolarHBondContact O-N 2.81Å; I229-A232 PolarHBondContact O-N 2.76Å; E230-A232 PolarHBondContact O-N 3.42Å; A232-A235 PolarHBondContact O-N 3.22Å; A232-K236 WeakPolarHBondContact O-CB 3.35Å; A232-K236 PolarHBondContact O-N 2.68Å; A232-F273 HydrophobicContact CB-CD2 4.02Å; A232-F273 HydrophobicContact CB-CE2 3.91Å; A232-L292 HydrophobicContact CB-CB 4.39Å; A232-L292 HydrophobicContact CB-CD1 4.36Å; A232-L292 HydrophobicContact CB-CD2 4.47Å; A232-L292 WeakPolarHBondContact O-CD1 3.21Å
233H92.1Very high92.8Very high125 Ų12538.1 Ų38.158%0.57919%0.186SC*.Hα-helixtrans-63.1-44.8175.9177.8-89.7000111.6I229 E230 A235 K236 V237I229-H233 WeakPolarHBondContact O-CB 3.39Å; I229-H233 PolarHBondContact O-N 2.83Å; E230-H233 PolarHBondContact O-N 3.4Å; H233-A235 PolarHBondContact O-N 2.8Å; H233-K236 PolarHBondContact O-N 3.4Å; H233-V237 WeakPolarHBondContact O-CG2 3.49Å; H233-V237 PolarHBondContact O-N 3.08Å
234E93.2Very high93Very high108 Ų10841.8 Ų41.851%0.50521%0.206SC..Hα-helixtrans-60-45.7175.8-173.6178.2172.100111.8E230 A231 K236 V237 N238 I272E230-E234 PolarHBondContact O-N 3.24Å; A231-E234 PolarHBondContact O-N 3.03Å; E234-K236 PolarHBondContact O-N 3.43Å; E234-V237 PolarHBondContact O-N 3.34Å; E234-N238 WeakPolarHBondContact O-CB 3.45Å; E234-N238 PolarHBondContact O-N 2.97Å; E234-I272 HydrophobicContact CG-CG2 4.26Å
235A96Very high93.2Very high0 Ų051.1 Ų51.10%024%0.24CC..Hα-helixtrans-57.8-47.1175.600000112A231 A232 H233 N238 Y239 A269 I272 F273 L292A231-A235 WeakPolarHBondContact O-CB 3.28Å; A231-A235 PolarHBondContact O-N 3.35Å; A232-A235 PolarHBondContact O-N 3.22Å; H233-A235 PolarHBondContact O-N 2.8Å; A235-N238 PolarHBondContact O-N 3Å; A235-Y239 PolarHBondContact O-N 3.41Å; A235-A269 HydrophobicContact CB-CB 4.13Å; A235-A269 VanDerWaalsContact CB-O 3.25Å; A235-A269 WeakPolarHBondContact CB-O 3.42Å; A235-A269 WeakPolarHBondContact O-CB 3.25Å; A235-I272 HydrophobicContact CB-CB 4.37Å; A235-I272 HydrophobicContact CB-CG2 4.29Å; A235-F273 HydrophobicContact CB-CB 4.37Å; A235-L292 HydrophobicContact CB-CD1 4.17Å; A235-L292 HydrophobicContact CB-CD2 3.86Å
236K95.8Very high93.2Very high52 Ų5249.8 Ų49.823%0.22624%0.24CC..Hα-helixtrans-63.5-42.4178.1-174.7178.9-173.7170.80112.7A232 H233 E234 N238 Y239 S240 L292 D295A232-K236 WeakPolarHBondContact O-CB 3.35Å; A232-K236 PolarHBondContact O-N 2.68Å; H233-K236 PolarHBondContact O-N 3.4Å; E234-K236 PolarHBondContact O-N 3.43Å; K236-N238 VanDerWaalsContact C-N 3.32Å; K236-Y239 PolarHBondContact O-N 2.97Å; K236-S240 WeakPolarHBondContact O-CB 3.38Å; K236-S240 PolarHBondContact O-N 3.24Å; K236-S240 PolarHBondContact O-OG 3.26Å; K236-L292 HydrophobicContact CB-CD1 4.18Å; K236-D295 HydrophobicContact CD-CB 4.22Å; K236-D295 VanDerWaalsContact NZ-CG 3.3Å; K236-D295 IonicContact NZ-OD1 2.74Å; K236-D295 IonicContact NZ-OD2 2.71Å; K236-D295 PolarHBondContact NZ-OD2 3.36Å
237V95.6Very high93.2Very high52 Ų5250.3 Ų50.332%0.31524%0.244SC..Hα-helixtrans-63.7-40.9176169.20000110.6H233 E234 S240 R241H233-V237 WeakPolarHBondContact O-CG2 3.49Å; H233-V237 PolarHBondContact O-N 3.08Å; E234-V237 PolarHBondContact O-N 3.34Å; V237-S240 PolarHBondContact O-N 3.09Å; V237-R241 WeakPolarHBondContact O-CB 3.39Å; V237-R241 WeakPolarHBondContact O-CG 3.41Å; V237-R241 PolarHBondContact O-N 3Å
238N96.1Very high93Very high63 Ų6359.4 Ų59.434%0.33728%0.278SS..Hα-helixtrans-64-46.2176.8-165-78.7000111.7E234 A235 K236 S240 R241 G242 I272E234-N238 WeakPolarHBondContact O-CB 3.45Å; E234-N238 PolarHBondContact O-N 2.97Å; A235-N238 PolarHBondContact O-N 3Å; K236-N238 VanDerWaalsContact C-N 3.32Å; N238-S240 PolarHBondContact O-N 2.71Å; N238-R241 PolarHBondContact O-N 3.3Å; N238-G242 PolarHBondContact O-N 3.02Å; N238-I272 HydrophobicContact CB-CD1 3.58Å
239Y97.6Very high92.4Very high0 Ų061.1 Ų61.10%030%0.297CS..Hα-helixtrans-54.2-51.8173.6171.4-98.9000111.7A235 K236 R241 G242 M243 H262 H265 I296 E299 Y303A235-Y239 PolarHBondContact O-N 3.41Å; K236-Y239 PolarHBondContact O-N 2.97Å; Y239-R241 PolarHBondContact O-N 2.99Å; Y239-G242 PolarHBondContact O-N 2.89Å; Y239-G242 VanDerWaalsContact O-N 3.11Å; Y239-M243 HydrophobicContact CD1-CG 4.34Å; Y239-M243 HydrophobicContact CD2-CG 4.23Å; Y239-M243 HydrophobicContact CE1-CG 3.87Å; Y239-M243 HydrophobicContact CE2-CG 3.73Å; Y239-M243 HydrophobicContact CE2-SD 4.22Å; Y239-M243 WeakPolarHBondContact O-CG 3.43Å; Y239-M243 PolarHBondContact O-N 3.11Å; Y239-H262 AromaticContact CE2-ND1 3.64Å; Y239-H262 AromaticContact CZ-ND1 3.61Å; Y239-H262 PolarHBondContact OH-ND1 3.06Å; Y239-H265 HydrophobicContact CD2-CB 3.86Å; Y239-H265 HydrophobicContact CE2-CB 4.29Å; Y239-I296 HydrophobicContact CD1-CG1 4.35Å; Y239-I296 HydrophobicContact CD1-CG2 4.43Å; Y239-I296 HydrophobicContact CD2-CG2 4.03Å; Y239-I296 HydrophobicContact CE1-CG2 4.18Å; Y239-I296 HydrophobicContact CE2-CG2 3.76Å; Y239-I296 HydrophobicContact CG-CG1 4.25Å; Y239-I296 HydrophobicContact CG-CG2 4.36Å; Y239-E299 HydrophobicContact CD1-CB 4.32Å; Y239-E299 HydrophobicContact CE1-CB 3.7Å; Y239-Y303 HydrophobicContact CE1-CE2 4.37Å
240S96.4Very high91.5Very high23 Ų2364.8 Ų64.816%0.16132%0.321CS..Hα-helixtrans-60.9-45.5-178.3-52.40000111K236 V237 N238 G242 M243 D244 Y303K236-S240 WeakPolarHBondContact O-CB 3.38Å; K236-S240 PolarHBondContact O-N 3.24Å; K236-S240 PolarHBondContact O-OG 3.26Å; V237-S240 PolarHBondContact O-N 3.09Å; N238-S240 PolarHBondContact O-N 2.71Å; S240-G242 VanDerWaalsContact C-N 3.31Å; S240-G242 PolarHBondContact O-N 3.41Å; S240-M243 PolarHBondContact O-N 3.01Å; S240-D244 WeakPolarHBondContact O-CB 3.34Å; S240-D244 PolarHBondContact O-N 2.94Å; S240-Y303 PolarHBondContact O-OH 3.24Å
241R95.9Very high90.8Very high158 Ų15873.2 Ų73.260%0.59635%0.351SS*.Hα-helixtrans-60.2-39.3174.6-78175.6155.9176.1-5.6112.8V237 N238 Y239 R245V237-R241 WeakPolarHBondContact O-CB 3.39Å; V237-R241 WeakPolarHBondContact O-CG 3.41Å; V237-R241 PolarHBondContact O-N 3Å; N238-R241 PolarHBondContact O-N 3.3Å; Y239-R241 PolarHBondContact O-N 2.99Å; R241-R245 VanDerWaalsContact O-CG 3.26Å; R241-R245 WeakPolarHBondContact O-CG 3.31Å; R241-R245 PolarHBondContact O-N 3.27Å
242G95Very high90.5Very high7 Ų777 Ų777%0.07237%0.368CS..Hα-helixtrans-63.1-47.8175.400000111.7N238 Y239 S240 R245 S246 H265N238-G242 PolarHBondContact O-N 3.02Å; Y239-G242 PolarHBondContact O-N 2.89Å; Y239-G242 VanDerWaalsContact O-N 3.11Å; S240-G242 VanDerWaalsContact C-N 3.31Å; S240-G242 PolarHBondContact O-N 3.41Å; G242-R245 PolarHBondContact O-N 2.94Å; G242-S246 PolarHBondContact O-N 3.5Å; G242-S246 PolarHBondContact O-OG 3.39Å; G242-H265 VanDerWaalsContact CA-CE1 3.49Å; G242-H265 WeakPolarHBondContact CA-CE1 3.37Å; G242-H265 PolarHBondContact O-NE2 3.41Å
243M95.1Very high90.2Very high0 Ų078.5 Ų78.50%037%0.373CS..Hα-helixtrans-65.3-42.2178.6-72.1-62.4-70.900112.6Y239 S240 R245 S246 T247 L258 A261 H262 L300 Y303Y239-M243 HydrophobicContact CD1-CG 4.34Å; Y239-M243 HydrophobicContact CD2-CG 4.23Å; Y239-M243 HydrophobicContact CE1-CG 3.87Å; Y239-M243 HydrophobicContact CE2-CG 3.73Å; Y239-M243 HydrophobicContact CE2-SD 4.22Å; Y239-M243 WeakPolarHBondContact O-CG 3.43Å; Y239-M243 PolarHBondContact O-N 3.11Å; S240-M243 PolarHBondContact O-N 3.01Å; M243-R245 VanDerWaalsContact C-N 3.31Å; M243-R245 PolarHBondContact O-N 3.33Å; M243-S246 PolarHBondContact O-N 2.91Å; M243-T247 WeakPolarHBondContact O-CB 3.29Å; M243-T247 WeakPolarHBondContact O-CG2 3.49Å; M243-T247 PolarHBondContact O-N 3.46Å; M243-T247 PolarHBondContact O-OG1 3.45Å; M243-L258 HydrophobicContact CE-CD1 3.77Å; M243-A261 HydrophobicContact SD-CB 4.22Å; M243-H262 HydrophobicContact CE-CB 4.44Å; M243-H262 HydrophobicContact SD-CB 4.36Å; M243-L300 HydrophobicContact CE-CD1 4.36Å; M243-Y303 HydrophobicContact CB-CD1 4.23Å; M243-Y303 HydrophobicContact CB-CD2 3.81Å; M243-Y303 HydrophobicContact CB-CE1 3.82Å; M243-Y303 HydrophobicContact CB-CE2 3.39Å; M243-Y303 HydrophobicContact CB-CG 4.24Å; M243-Y303 HydrophobicContact CE-CD2 3.9Å; M243-Y303 HydrophobicContact CE-CG 3.89Å; M243-Y303 HydrophobicContact CG-CD2 4.09Å; M243-Y303 HydrophobicContact CG-CE2 3.94Å
244D94Very high90Very high83 Ų8375.4 Ų75.444%0.44437%0.366SS..Hα-helixtrans-58.6-43.1175-71-23.2000111.4S240 T247 Y248 Y303S240-D244 WeakPolarHBondContact O-CB 3.34Å; S240-D244 PolarHBondContact O-N 2.94Å; D244-T247 CarbonylContact O-C 3.51Å; D244-T247 PolarHBondContact O-N 3.42Å; D244-Y248 WeakPolarHBondContact O-CA 3.48Å; D244-Y248 PolarHBondContact O-N 2.93Å; D244-Y303 VanDerWaalsContact CG-OH 3.26Å; D244-Y303 VanDerWaalsContact OD1-CE1 3.22Å; D244-Y303 WeakPolarHBondContact OD1-CE1 3.4Å; D244-Y303 VanDerWaalsContact OD1-CZ 3.31Å; D244-Y303 PolarHBondContact OD1-OH 2.92Å
245R92.2Very high89.9Confident199 Ų19976.6 Ų76.675%0.75137%0.371SS*.Hα-helixtrans-65.5-44.3176.3-72172-175.2-176.92111.8R241 G242 M243 T247 Y248R241-R245 VanDerWaalsContact O-CG 3.26Å; R241-R245 WeakPolarHBondContact O-CG 3.31Å; R241-R245 PolarHBondContact O-N 3.27Å; G242-R245 PolarHBondContact O-N 2.94Å; M243-R245 VanDerWaalsContact C-N 3.31Å; M243-R245 PolarHBondContact O-N 3.33Å; R245-T247 VanDerWaalsContact C-N 3.27Å; R245-T247 PolarHBondContact O-N 2.94Å; R245-Y248 WeakPolarHBondContact O-CB 3.42Å; R245-Y248 PolarHBondContact O-N 2.88Å
246S90.6Very high89.7Confident47 Ų4783.9 Ų83.933%0.32940%0.403SS..Hα-helixtrans-65.2-33.1178.4-72.10000112.2G242 M243 H265G242-S246 PolarHBondContact O-N 3.5Å; G242-S246 PolarHBondContact O-OG 3.39Å; M243-S246 PolarHBondContact O-N 2.91Å; S246-H265 PolarHBondContact OG-NE2 2.93Å
247T88.3Confident89.5Confident16 Ų1687.5 Ų87.510%0.09842%0.419CS..THydrogen-bonded Turntrans-9912.3-179.163.30000113.3M243 D244 R245 G249 M253 L258 Y303 K310M243-T247 WeakPolarHBondContact O-CB 3.29Å; M243-T247 WeakPolarHBondContact O-CG2 3.49Å; M243-T247 PolarHBondContact O-N 3.46Å; M243-T247 PolarHBondContact O-OG1 3.45Å; D244-T247 CarbonylContact O-C 3.51Å; D244-T247 PolarHBondContact O-N 3.42Å; R245-T247 VanDerWaalsContact C-N 3.27Å; R245-T247 PolarHBondContact O-N 2.94Å; T247-G249 PolarHBondContact O-N 3.41Å; T247-G249 VanDerWaalsContact O-N 3.13Å; T247-M253 HydrophobicContact CG2-SD 3.94Å; T247-L258 HydrophobicContact CG2-CD1 3.75Å; T247-Y303 HydrophobicContact CG2-CD1 4.34Å; T247-K310 PolarHBondContact O-NZ 3.16Å
248Y85Confident89.3Confident207 Ų20785.2 Ų85.281%0.81240%0.404SS*.  trans-60.8-28.1-173.9-176.8-101.5000114.3D244 R245D244-Y248 WeakPolarHBondContact O-CA 3.48Å; D244-Y248 PolarHBondContact O-N 2.93Å; R245-Y248 WeakPolarHBondContact O-CB 3.42Å; R245-Y248 PolarHBondContact O-N 2.88Å
249G78.1Confident89.2Confident41 Ų4185.2 Ų85.242%0.42340%0.404SS..SBendtrans-64.3150.5-175.600000114.8T247 R251 K310T247-G249 PolarHBondContact O-N 3.41Å; T247-G249 VanDerWaalsContact O-N 3.13Å; G249-R251 PolarHBondContact O-N 2.86Å; G249-K310 PolarHBondContact O-NZ 3.5Å
250T70.4Confident89.1Confident112 Ų11290.1 Ų90.169%0.68743%0.427SS*.SBendtrans-69.8-21.1176.9-330000112.9
251R75.9Confident89Confident220 Ų22089.6 Ų89.683%0.8342%0.424SS*.SBendtrans-89.1144.6-179.4-66-175.5-178.8-176.30.5111.3G249 M253G249-R251 PolarHBondContact O-N 2.86Å; R251-M253 PolarHBondContact O-N 3.27Å
252M84Confident89Confident91 Ų9183.3 Ų83.345%0.44840%0.401SS..PPolyproline II helixtrans-60.1133.3172.4-175.1-176.380.500110.6N307 K310 R311M252-N307 WeakPolarHBondContact CG-O 3.25Å; M252-K310 HydrophobicContact CB-CB 4.26Å; M252-R311 HydrophobicContact SD-CB 3.66Å; M252-R311 HydrophobicContact SD-CG 3.97Å
253M86.7Confident89Confident44 Ų4487.7 Ų87.722%0.21742%0.422CS..PPolyproline II helixtrans-85.3150.7170.9-62.418067.800110.6T247 R251 K257 N307T247-M253 HydrophobicContact CG2-SD 3.94Å; R251-M253 PolarHBondContact O-N 3.27Å; M253-K257 HydrophobicContact CE-CB 4.06Å; M253-N307 PolarHBondContact N-OD1 2.92Å; M253-N307 PolarHBondContact O-ND2 3.25Å
254S89Confident89.1Confident61 Ų6194.5 Ų94.543%0.42745%0.452SS..PPolyproline II helixtrans-67.4148.917062.10000110.9K256 K257 L258S254-K256 VanDerWaalsContact C-N 3.27Å; S254-K256 PolarHBondContact O-N 3.5Å; S254-K257 PolarHBondContact O-N 3.05Å; S254-K257 VanDerWaalsContact O-N 3.08Å; S254-K257 WeakPolarHBondContact OG-CG 3.32Å; S254-L258 PolarHBondContact O-N 3.47Å
255E89.3Confident89.2Confident133 Ų13391.8 Ų91.862%0.62144%0.436SS*.Hα-helixtrans-55.7-42.9179.9-174.2175.1-170.700112K257 L258 L259E255-K257 PolarHBondContact O-N 3.27Å; E255-L258 WeakPolarHBondContact O-CB 3.48Å; E255-L258 PolarHBondContact O-N 3.04Å; E255-L258 VanDerWaalsContact O-N 3.15Å; E255-L259 HydrophobicContact CG-CD1 4.21Å; E255-L259 HydrophobicContact CG-CG 4.5Å; E255-L259 WeakPolarHBondContact O-CG 3.42Å; E255-L259 PolarHBondContact O-N 2.89Å
256K92Very high89.4Confident152 Ų15282.7 Ų82.766%0.66140%0.404SS*.Hα-helixtrans-54.8-47.5175.2-175.2179.2178.3-178.60112.6S254 L258 L259 E260S254-K256 VanDerWaalsContact C-N 3.27Å; S254-K256 PolarHBondContact O-N 3.5Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 3.2Å; K256-L259 PolarHBondContact O-N 3.04Å; K256-E260 WeakPolarHBondContact CE-OE1 3.35Å; K256-E260 WeakPolarHBondContact O-CG 3.17Å; K256-E260 PolarHBondContact O-N 3.34Å
257K91.6Very high89.6Confident129 Ų12984.7 Ų84.756%0.56141%0.411SS*.Hα-helixtrans-67.8-34.6180-75.2-176.8176.5-175.60112.1M253 S254 E255 A261M253-K257 HydrophobicContact CE-CB 4.06Å; S254-K257 PolarHBondContact O-N 3.05Å; S254-K257 VanDerWaalsContact O-N 3.08Å; S254-K257 WeakPolarHBondContact OG-CG 3.32Å; E255-K257 PolarHBondContact O-N 3.27Å; K257-A261 WeakPolarHBondContact O-CB 3.39Å; K257-A261 PolarHBondContact O-N 3.16Å
258L92.4Very high89.9Confident3 Ų386.7 Ų86.72%0.01642%0.423CS..Hα-helixtrans-66-43.2175.8-173.767.4000111M243 T247 S254 E255 K256 A261 H262 K304 N307M243-L258 HydrophobicContact CE-CD1 3.77Å; T247-L258 HydrophobicContact CG2-CD1 3.75Å; S254-L258 PolarHBondContact O-N 3.47Å; E255-L258 WeakPolarHBondContact O-CB 3.48Å; E255-L258 PolarHBondContact O-N 3.04Å; E255-L258 VanDerWaalsContact O-N 3.15Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 3.2Å; L258-A261 PolarHBondContact O-N 3.48Å; L258-H262 WeakPolarHBondContact O-CB 2.98Å; L258-H262 PolarHBondContact O-N 3.21Å; L258-K304 HydrophobicContact CD2-CB 4.43Å; L258-K304 HydrophobicContact CD2-CG 3.78Å; L258-N307 HydrophobicContact CD2-CB 4.36Å
259L94.4Very high90.4Very high64 Ų6476.8 Ų76.834%0.33538%0.384SS..Hα-helixtrans-66.6-40.5176-68.4174.8000112.3E255 K256 A261 H262 I263 L300E255-L259 HydrophobicContact CG-CD1 4.21Å; E255-L259 HydrophobicContact CG-CG 4.5Å; E255-L259 WeakPolarHBondContact O-CG 3.42Å; E255-L259 PolarHBondContact O-N 2.89Å; K256-L259 PolarHBondContact O-N 3.04Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.37Å; L259-H262 WeakPolarHBondContact O-CB 3.15Å; L259-H262 PolarHBondContact O-N 3Å; L259-I263 VanDerWaalsContact O-CG1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.37Å; L259-I263 PolarHBondContact O-N 2.91Å; L259-L300 HydrophobicContact CD2-CD2 4.16Å
260E94.7Very high91.2Very high103 Ų10377.4 Ų77.448%0.48138%0.377SS..Hα-helixtrans-59.2-42.8173.2-75.4170.1-177.100111.6K256 K264K256-E260 WeakPolarHBondContact CE-OE1 3.35Å; K256-E260 WeakPolarHBondContact O-CG 3.17Å; K256-E260 PolarHBondContact O-N 3.34Å; E260-K264 WeakPolarHBondContact O-CB 3.29Å; E260-K264 PolarHBondContact O-N 2.91Å
261A93.9Very high92.4Very high11 Ų1176.5 Ų76.59%0.09137%0.368CS..Hα-helixtrans-65.3-42.9175.300000111.9M243 K257 L258 L259 K264 H265M243-A261 HydrophobicContact SD-CB 4.22Å; K257-A261 WeakPolarHBondContact O-CB 3.39Å; K257-A261 PolarHBondContact O-N 3.16Å; L258-A261 PolarHBondContact O-N 3.48Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.37Å; A261-K264 PolarHBondContact O-N 3.25Å; A261-H265 PolarHBondContact O-CD2 3.29Å; A261-H265 PolarHBondContact O-N 3.21Å
262H95.8Very high93.1Very high26 Ų2667.6 Ų67.612%0.1234%0.337CS..Hα-helixtrans-58.2-49.2175.316675.2000112Y239 M243 L258 L259 K264 H265 G266 L300Y239-H262 AromaticContact CE2-ND1 3.64Å; Y239-H262 AromaticContact CZ-ND1 3.61Å; Y239-H262 PolarHBondContact OH-ND1 3.06Å; M243-H262 HydrophobicContact CE-CB 4.44Å; M243-H262 HydrophobicContact SD-CB 4.36Å; L258-H262 WeakPolarHBondContact O-CB 2.98Å; L258-H262 PolarHBondContact O-N 3.21Å; L259-H262 WeakPolarHBondContact O-CB 3.15Å; L259-H262 PolarHBondContact O-N 3Å; H262-K264 PolarHBondContact O-N 3.47Å; H262-H265 PolarHBondContact O-N 3.4Å; H262-G266 WeakPolarHBondContact O-CA 3.37Å; H262-G266 PolarHBondContact O-N 2.86Å; H262-L300 HydrophobicContact CB-CD1 3.83Å
263I95.8Very high93.6Very high100 Ų10063.3 Ų63.351%0.51332%0.316SS..Hα-helixtrans-61.1-46.7178.8-67.8165.8000110.1L259 H265 G266 I267L259-I263 VanDerWaalsContact O-CG1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.37Å; L259-I263 PolarHBondContact O-N 2.91Å; I263-H265 PolarHBondContact O-N 2.9Å; I263-G266 PolarHBondContact O-N 2.95Å; I263-I267 HydrophobicContact CG2-CD1 3.76Å; I263-I267 HydrophobicContact CG2-CG1 4.44Å; I263-I267 WeakPolarHBondContact O-CB 3.48Å; I263-I267 VanDerWaalsContact O-CG1 3.27Å; I263-I267 WeakPolarHBondContact O-CG1 3.36Å; I263-I267 PolarHBondContact O-N 3.34Å
264K96.3Very high93.8Very high142 Ų14265.4 Ų65.462%0.61733%0.327SS*.Hα-helixtrans-58.9-50.8-179.8179.7-179.4177.91780112.4E260 A261 H262 T268E260-K264 WeakPolarHBondContact O-CB 3.29Å; E260-K264 PolarHBondContact O-N 2.91Å; A261-K264 PolarHBondContact O-N 3.25Å; H262-K264 PolarHBondContact O-N 3.47Å; K264-T268 PolarHBondContact O-N 2.9Å; K264-T268 PolarHBondContact O-OG1 3.33Å
265H96.7Very high93.7Very high26 Ų2670.9 Ų70.912%0.1234%0.344CS..Hα-helixtrans-76.3-29.8-177.9-63.9-52.4000111.8Y239 G242 S246 A261 H262 I263 T268 A269Y239-H265 HydrophobicContact CD2-CB 3.86Å; Y239-H265 HydrophobicContact CE2-CB 4.29Å; G242-H265 VanDerWaalsContact CA-CE1 3.49Å; G242-H265 WeakPolarHBondContact CA-CE1 3.37Å; G242-H265 PolarHBondContact O-NE2 3.41Å; S246-H265 PolarHBondContact OG-NE2 2.93Å; A261-H265 PolarHBondContact O-CD2 3.29Å; A261-H265 PolarHBondContact O-N 3.21Å; H262-H265 PolarHBondContact O-N 3.4Å; I263-H265 PolarHBondContact O-N 2.9Å; H265-T268 PolarHBondContact O-N 3.25Å; H265-A269 WeakPolarHBondContact O-CB 3.36Å; H265-A269 PolarHBondContact O-N 3.03Å
266G95.8Very high93.5Very high8 Ų864.9 Ų64.98%0.08232%0.317CS..Hα-helixtrans-63-48.5172.800000111.9H262 I263 T268 A269 L270H262-G266 WeakPolarHBondContact O-CA 3.37Å; H262-G266 PolarHBondContact O-N 2.86Å; I263-G266 PolarHBondContact O-N 2.95Å; G266-T268 VanDerWaalsContact C-N 3.27Å; G266-T268 PolarHBondContact O-N 3.47Å; G266-A269 PolarHBondContact O-N 3.06Å; G266-L270 WeakPolarHBondContact O-CG 3.09Å; G266-L270 PolarHBondContact O-N 3.23Å
267I95.4Very high93Very high90 Ų9059.1 Ų59.146%0.46229%0.294SS..Hα-helixtrans-58.4-42.5173.5-69.4166.9000110.5I263 A269 L270 N271I263-I267 HydrophobicContact CG2-CD1 3.76Å; I263-I267 HydrophobicContact CG2-CG1 4.44Å; I263-I267 WeakPolarHBondContact O-CB 3.48Å; I263-I267 VanDerWaalsContact O-CG1 3.27Å; I263-I267 WeakPolarHBondContact O-CG1 3.36Å; I263-I267 PolarHBondContact O-N 3.34Å; I267-A269 PolarHBondContact O-N 3.31Å; I267-L270 PolarHBondContact O-N 3.45Å; I267-N271 WeakPolarHBondContact O-CB 3.49Å; I267-N271 PolarHBondContact O-N 2.91Å; I267-N271 PolarHBondContact O-ND2 2.68Å
268T95.4Very high92.5Very high57 Ų5761.5 Ų61.535%0.3530%0.3SS..Hα-helixtrans-62.8-43.3178.7-55.80000111.5K264 H265 G266 N271 I272K264-T268 PolarHBondContact O-N 2.9Å; K264-T268 PolarHBondContact O-OG1 3.33Å; H265-T268 PolarHBondContact O-N 3.25Å; G266-T268 VanDerWaalsContact C-N 3.27Å; G266-T268 PolarHBondContact O-N 3.47Å; T268-N271 PolarHBondContact O-N 3.29Å; T268-I272 HydrophobicContact CG2-CD1 4.47Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 3.38Å
269A95.4Very high91.7Very high0 Ų062.1 Ų62.10%030%0.303CS..Hα-helixtrans-64-43.4176.200000112.5A235 H265 G266 I267 N271 I272 F273 I296A235-A269 HydrophobicContact CB-CB 4.13Å; A235-A269 VanDerWaalsContact CB-O 3.25Å; A235-A269 WeakPolarHBondContact CB-O 3.42Å; A235-A269 WeakPolarHBondContact O-CB 3.25Å; H265-A269 WeakPolarHBondContact O-CB 3.36Å; H265-A269 PolarHBondContact O-N 3.03Å; G266-A269 PolarHBondContact O-N 3.06Å; I267-A269 PolarHBondContact O-N 3.31Å; A269-N271 VanDerWaalsContact C-N 3.34Å; A269-N271 PolarHBondContact O-N 2.87Å; A269-I272 WeakPolarHBondContact O-CB 3.38Å; A269-I272 PolarHBondContact O-N 2.94Å; A269-I272 VanDerWaalsContact O-N 3.16Å; A269-F273 PolarHBondContact O-N 3.38Å; A269-I296 HydrophobicContact CB-CD1 3.92Å
270L94.7Very high90.7Very high54 Ų5460.6 Ų60.628%0.28330%0.303SS..Hα-helixtrans-63.8-39.3175.6-66.7176.4000111.9G266 I267 I272 F273 D274 L289 L292 Q293G266-L270 WeakPolarHBondContact O-CG 3.09Å; G266-L270 PolarHBondContact O-N 3.23Å; I267-L270 PolarHBondContact O-N 3.45Å; L270-I272 VanDerWaalsContact C-N 3.28Å; L270-I272 PolarHBondContact O-N 3.33Å; L270-F273 PolarHBondContact O-N 3.48Å; L270-D274 PolarHBondContact O-N 2.77Å; L270-L289 HydrophobicContact CD2-CD1 3.81Å; L270-L292 HydrophobicContact CD2-CD2 4.45Å; L270-Q293 HydrophobicContact CD2-CG 4.05Å
271N94.4Very high89.7Confident93 Ų9357.2 Ų57.250%0.49729%0.293SS..Hα-helixtrans-64.8-31.2174.5-71.9-19.1000112.6I267 T268 A269I267-N271 WeakPolarHBondContact O-CB 3.49Å; I267-N271 PolarHBondContact O-N 2.91Å; I267-N271 PolarHBondContact O-ND2 2.68Å; T268-N271 PolarHBondContact O-N 3.29Å; A269-N271 VanDerWaalsContact C-N 3.34Å; A269-N271 PolarHBondContact O-N 2.87Å
272I92.3Very high89Confident32 Ų3264.6 Ų64.616%0.16432%0.323CS..Hα-helixtrans-67.1-47.7172.3-69.8164.4000109.7E234 A235 N238 T268 A269 L270 D274 K275E234-I272 HydrophobicContact CG-CG2 4.26Å; A235-I272 HydrophobicContact CB-CB 4.37Å; A235-I272 HydrophobicContact CB-CG2 4.29Å; N238-I272 HydrophobicContact CB-CD1 3.58Å; T268-I272 HydrophobicContact CG2-CD1 4.47Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 3.38Å; A269-I272 WeakPolarHBondContact O-CB 3.38Å; A269-I272 PolarHBondContact O-N 2.94Å; A269-I272 VanDerWaalsContact O-N 3.16Å; L270-I272 VanDerWaalsContact C-N 3.28Å; L270-I272 PolarHBondContact O-N 3.33Å; I272-D274 VanDerWaalsContact C-N 3.31Å; I272-D274 PolarHBondContact O-N 2.57Å; I272-K275 WeakPolarHBondContact O-CB 3.31Å; I272-K275 PolarHBondContact O-N 2.79Å
273F93.4Very high88.4Confident2 Ų269.8 Ų69.81%0.00935%0.347CS..Hα-helixtrans-63.7-35.2178.3-174.3-92.3000112.6C228 A231 A232 A235 A269 L270 K275 C276 R285 L288 L289 L292C228-F273 HydrophobicContact CB-CE2 4.5Å; A231-F273 HydrophobicContact CB-CD2 4Å; A231-F273 HydrophobicContact CB-CE2 4.37Å; A232-F273 HydrophobicContact CB-CD2 4.02Å; A232-F273 HydrophobicContact CB-CE2 3.91Å; A235-F273 HydrophobicContact CB-CB 4.37Å; A269-F273 PolarHBondContact O-N 3.38Å; L270-F273 PolarHBondContact O-N 3.48Å; F273-K275 PolarHBondContact O-N 3.44Å; F273-C276 WeakPolarHBondContact O-CB 3.48Å; F273-C276 PolarHBondContact O-N 3.38Å; F273-R285 HydrophobicContact CE1-CG 4.05Å; F273-R285 HydrophobicContact CZ-CG 4.23Å; F273-L288 HydrophobicContact CZ-CB 4.35Å; F273-L289 HydrophobicContact CD1-CB 4.42Å; F273-L289 HydrophobicContact CD1-CD1 3.68Å; F273-L289 HydrophobicContact CE1-CB 3.77Å; F273-L289 HydrophobicContact CE1-CD1 3.92Å; F273-L289 HydrophobicContact CE1-CG 4.33Å; F273-L289 HydrophobicContact CG-CD1 4.44Å; F273-L289 HydrophobicContact CZ-CB 4.26Å; F273-L292 HydrophobicContact CB-CD2 3.77Å; F273-L292 HydrophobicContact CD2-CD2 3.89Å; F273-L292 HydrophobicContact CG-CD2 3.86Å
274D90.9Very high87.8Confident87 Ų8766.9 Ų66.947%0.46533%0.334SS..Hα-helixtrans-67-22.3-179.2-162.548000113.2L270 I272 C276 R285L270-D274 PolarHBondContact O-N 2.77Å; I272-D274 VanDerWaalsContact C-N 3.31Å; I272-D274 PolarHBondContact O-N 2.57Å; D274-C276 PolarHBondContact O-N 2.79Å; D274-R285 IonicContact OD1-CZ 2.78Å; D274-R285 IonicContact OD1-NH2 2.62Å; D274-R285 PolarHBondContact OD1-NH2 2.9Å
275K87.7Confident87.3Confident176 Ų17662 Ų6277%0.76531%0.311SS*.THydrogen-bonded Turntrans-71.4-11.1170.9-66176.9-177.4-176.90113.6I272 F273I272-K275 WeakPolarHBondContact O-CB 3.31Å; I272-K275 PolarHBondContact O-N 2.79Å; F273-K275 PolarHBondContact O-N 3.44Å
276C85.5Confident87Confident8 Ų864.5 Ų64.55%0.05433%0.326CS..SBendtrans-56.9129.8176.1-177.60000110.2A231 F273 D274 R278A231-C276 HydrophobicContact CB-CB 3.87Å; F273-C276 WeakPolarHBondContact O-CB 3.48Å; F273-C276 PolarHBondContact O-N 3.38Å; D274-C276 PolarHBondContact O-N 2.79Å; C276-R278 PolarHBondContact O-N 3.43Å
277P80.8Confident86.7Confident30 Ų3069.7 Ų69.720%0.19535%0.351CS..  trans-52.4139.4174.9-27.735.2000112.1F77 I227 I279F77-P277 HydrophobicContact CZ-CB 4.24Å; F77-P277 HydrophobicContact CZ-CG 4.1Å; I227-P277 HydrophobicContact CG2-CG 4.47Å; P277-I279 HydrophobicContact CB-CD1 3.59Å; P277-I279 HydrophobicContact CB-CG1 4Å; P277-I279 PolarHBondContact O-N 2.88Å
278R80.7Confident86.4Confident179 Ų17966.4 Ų66.468%0.67533%0.334SS*.  trans-90.886.1178-63-178.6-176.3-176.3-0.4109C276C276-R278 PolarHBondContact O-N 3.43Å
279I75.5Confident86.2Confident16 Ų1665.7 Ų65.78%0.08233%0.328CS..  trans-119.8146-178.1-57.8156.8000108.4Q73 F77 L220 A224 I227 P277Q73-I279 HydrophobicContact CG-CG2 4.21Å; F77-I279 HydrophobicContact CE2-CD1 3.29Å; F77-I279 HydrophobicContact CE2-CG1 4.41Å; F77-I279 HydrophobicContact CZ-CD1 3.49Å; F77-I279 VanDerWaalsContact CZ-CD1 3.49Å; L220-I279 HydrophobicContact CD1-CG2 3.76Å; L220-I279 HydrophobicContact CG-CG2 4.14Å; A224-I279 HydrophobicContact CB-CB 4.23Å; A224-I279 HydrophobicContact CB-CG2 4.23Å; A224-I279 WeakPolarHBondContact CB-O 3.43Å; I227-I279 HydrophobicContact CD1-CD1 3.71Å; P277-I279 HydrophobicContact CB-CD1 3.59Å; P277-I279 HydrophobicContact CB-CG1 4Å; P277-I279 PolarHBondContact O-N 2.88Å
280G73.2Confident86.2Confident33 Ų3371.1 Ų71.134%0.3435%0.354SS..SBendtrans66.9-157.3176.900000113.8
281A74.4Confident86.1Confident32 Ų3274.4 Ų74.426%0.26437%0.366SS..  trans-65.1129.9-176.500000113N221 E283 V284N221-A281 PolarHBondContact OD1-N 3.4Å; A281-E283 WeakPolarHBondContact CB-OE2 3.47Å; A281-E283 PolarHBondContact O-N 3.13Å; A281-V284 HydrophobicContact CB-CG2 4.22Å; A281-V284 PolarHBondContact O-N 3.37Å
282K79.3Confident86.1Confident166 Ų16670.1 Ų70.172%0.72234%0.343SS*.Hα-helixtrans-65.5-28.5-178.6-71.1179.4-178.9172.10112.2V284 R285 N286K282-V284 VanDerWaalsContact C-N 3.3Å; K282-V284 PolarHBondContact O-N 2.95Å; K282-R285 PolarHBondContact O-N 3.32Å; K282-N286 PolarHBondContact O-N 3.36Å; K282-N286 VanDerWaalsContact O-N 3.08Å
283E83.7Confident86.3Confident134 Ų13472.5 Ų72.563%0.62635%0.353SS*.Hα-helixtrans-59.8-41.8-179.1-61.270.4-15200110.7A281 R285 N286 L287A281-E283 WeakPolarHBondContact CB-OE2 3.47Å; A281-E283 PolarHBondContact O-N 3.13Å; E283-R285 PolarHBondContact O-N 3.23Å; E283-N286 PolarHBondContact O-N 2.85Å; E283-L287 WeakPolarHBondContact O-CB 3.46Å; E283-L287 PolarHBondContact O-N 3.04Å
284V81.5Confident86.4Confident39 Ų3978.7 Ų78.724%0.23638%0.382CS..Hα-helixtrans-63.4-43.4179.8177.30000111.1K225 A281 K282 L288K225-V284 HydrophobicContact CB-CG1 3.84Å; K225-V284 HydrophobicContact CG-CG1 3.91Å; A281-V284 HydrophobicContact CB-CG2 4.22Å; A281-V284 PolarHBondContact O-N 3.37Å; K282-V284 VanDerWaalsContact C-N 3.3Å; K282-V284 PolarHBondContact O-N 2.95Å; V284-L288 HydrophobicContact CG1-CD1 4.14Å; V284-L288 PolarHBondContact O-N 2.96Å; V284-L288 VanDerWaalsContact O-N 3.1Å
285R86.6Confident86.5Confident39 Ų3977.1 Ų77.115%0.14737%0.374CS..Hα-helixtrans-64.8-43.4177.9-179.8179.6176.8-102.43.7111.3F273 D274 K282 E283 L288 L289F273-R285 HydrophobicContact CE1-CG 4.05Å; F273-R285 HydrophobicContact CZ-CG 4.23Å; D274-R285 IonicContact OD1-CZ 2.78Å; D274-R285 IonicContact OD1-NH2 2.62Å; D274-R285 PolarHBondContact OD1-NH2 2.9Å; K282-R285 PolarHBondContact O-N 3.32Å; E283-R285 PolarHBondContact O-N 3.23Å; R285-L288 PolarHBondContact O-N 2.91Å; R285-L289 WeakPolarHBondContact O-CB 3.36Å; R285-L289 PolarHBondContact O-N 2.75Å
286N89.8Confident86.9Confident79 Ų7969 Ų6942%0.42234%0.339SS..Hα-helixtrans-64.9-45.3179.8-68.5-10.7000111.4K282 E283 L288 L289 E290K282-N286 PolarHBondContact O-N 3.36Å; K282-N286 VanDerWaalsContact O-N 3.08Å; E283-N286 PolarHBondContact O-N 2.85Å; N286-L288 VanDerWaalsContact C-N 3.32Å; N286-L288 PolarHBondContact O-N 3.4Å; N286-L289 WeakPolarHBondContact O-CB 3.37Å; N286-L289 PolarHBondContact O-N 3.32Å; N286-L289 VanDerWaalsContact O-N 3.15Å; N286-E290 WeakPolarHBondContact O-CG 3.49Å; N286-E290 PolarHBondContact O-N 3.49Å
287L89.6Confident87.4Confident118 Ų11872.7 Ų72.762%0.61836%0.358SS*.Hα-helixtrans-57.8-44175.9-172.588.6000111.9E283 E290 K291E283-L287 WeakPolarHBondContact O-CB 3.46Å; E283-L287 PolarHBondContact O-N 3.04Å; L287-E290 PolarHBondContact O-N 3.46Å; L287-K291 WeakPolarHBondContact O-CB 3.35Å; L287-K291 PolarHBondContact O-N 3.47Å
288L89.9Confident88.1Confident20 Ų2074.1 Ų74.111%0.10537%0.372CS..Hα-helixtrans-71-31.3178.4-77.6168.1000112.8K225 C228 I229 F273 V284 R285 N286 L292K225-L288 HydrophobicContact CG-CD1 4.35Å; C228-L288 HydrophobicContact CB-CB 4.47Å; C228-L288 HydrophobicContact CB-CD1 3.3Å; I229-L288 HydrophobicContact CG1-CD1 3.95Å; I229-L288 HydrophobicContact CG1-CD2 3.86Å; F273-L288 HydrophobicContact CZ-CB 4.35Å; V284-L288 HydrophobicContact CG1-CD1 4.14Å; V284-L288 PolarHBondContact O-N 2.96Å; V284-L288 VanDerWaalsContact O-N 3.1Å; R285-L288 PolarHBondContact O-N 2.91Å; N286-L288 VanDerWaalsContact C-N 3.32Å; N286-L288 PolarHBondContact O-N 3.4Å; L288-L292 WeakPolarHBondContact O-CB 3.38Å; L288-L292 PolarHBondContact O-N 3.22Å
289L92Very high88.7Confident43 Ų4367.1 Ų67.123%0.22535%0.347CS..Hα-helixtrans-66.3-45.6173.2178.460.8000111.5L270 F273 R285 N286 L292 Q293L270-L289 HydrophobicContact CD2-CD1 3.81Å; F273-L289 HydrophobicContact CD1-CB 4.42Å; F273-L289 HydrophobicContact CD1-CD1 3.68Å; F273-L289 HydrophobicContact CE1-CB 3.77Å; F273-L289 HydrophobicContact CE1-CD1 3.92Å; F273-L289 HydrophobicContact CE1-CG 4.33Å; F273-L289 HydrophobicContact CG-CD1 4.44Å; F273-L289 HydrophobicContact CZ-CB 4.26Å; R285-L289 WeakPolarHBondContact O-CB 3.36Å; R285-L289 PolarHBondContact O-N 2.75Å; N286-L289 WeakPolarHBondContact O-CB 3.37Å; N286-L289 PolarHBondContact O-N 3.32Å; N286-L289 VanDerWaalsContact O-N 3.15Å; L289-L292 WeakPolarHBondContact O-CB 3.42Å; L289-L292 PolarHBondContact O-N 2.91Å; L289-Q293 WeakPolarHBondContact O-CG 3.44Å; L289-Q293 PolarHBondContact O-N 2.93Å
290E93.6Very high89.7Confident114 Ų11467 Ų6753%0.53335%0.346SS..Hα-helixtrans-58.8-48.5174.7-73.1174.2-178.800110.4N286 L287 L292 Q293 E294N286-E290 WeakPolarHBondContact O-CG 3.49Å; N286-E290 PolarHBondContact O-N 3.49Å; L287-E290 PolarHBondContact O-N 3.46Å; E290-L292 VanDerWaalsContact C-N 3.3Å; E290-L292 PolarHBondContact O-N 2.91Å; E290-Q293 WeakPolarHBondContact O-CB 3.37Å; E290-Q293 PolarHBondContact O-N 3.15Å; E290-Q293 VanDerWaalsContact O-N 3.08Å; E290-E294 WeakPolarHBondContact O-CG 3.27Å; E290-E294 PolarHBondContact O-N 3.37Å
291K93.9Very high90.7Very high122 Ų12269.3 Ų69.353%0.5335%0.348SS..Hα-helixtrans-59.5-38.6175.7-171.7175.6-176.4175.30113L287 E294 D295L287-K291 WeakPolarHBondContact O-CB 3.35Å; L287-K291 PolarHBondContact O-N 3.47Å; K291-E294 PolarHBondContact O-N 3.1Å; K291-D295 WeakPolarHBondContact O-CB 3.29Å; K291-D295 PolarHBondContact O-N 3.42Å
292L94.8Very high91.7Very high3 Ų372.5 Ų72.52%0.01636%0.356CS..Hα-helixtrans-63.6-41.6175.1173.963.2000111.4A232 A235 K236 L270 F273 L288 L289 E290 D295 I296A232-L292 HydrophobicContact CB-CB 4.39Å; A232-L292 HydrophobicContact CB-CD1 4.36Å; A232-L292 HydrophobicContact CB-CD2 4.47Å; A232-L292 WeakPolarHBondContact O-CD1 3.21Å; A235-L292 HydrophobicContact CB-CD1 4.17Å; A235-L292 HydrophobicContact CB-CD2 3.86Å; K236-L292 HydrophobicContact CB-CD1 4.18Å; L270-L292 HydrophobicContact CD2-CD2 4.45Å; F273-L292 HydrophobicContact CB-CD2 3.77Å; F273-L292 HydrophobicContact CD2-CD2 3.89Å; F273-L292 HydrophobicContact CG-CD2 3.86Å; L288-L292 WeakPolarHBondContact O-CB 3.38Å; L288-L292 PolarHBondContact O-N 3.22Å; L289-L292 WeakPolarHBondContact O-CB 3.42Å; L289-L292 PolarHBondContact O-N 2.91Å; E290-L292 VanDerWaalsContact C-N 3.3Å; E290-L292 PolarHBondContact O-N 2.91Å; L292-D295 PolarHBondContact O-N 3.36Å; L292-I296 HydrophobicContact CD1-CD1 3.98Å; L292-I296 HydrophobicContact CD1-CG1 4.23Å; L292-I296 HydrophobicContact CG-CD1 3.99Å; L292-I296 WeakPolarHBondContact O-CB 3.38Å; L292-I296 VanDerWaalsContact O-CG1 3.31Å; L292-I296 WeakPolarHBondContact O-CG1 3.41Å; L292-I296 PolarHBondContact O-N 3.35Å
293Q95.1Very high92.3Very high83 Ų8364.9 Ų64.939%0.38832%0.323SS..Hα-helixtrans-64-43.6176.6-70.9174.3-1600111.3L270 L289 E290 I296 N297L270-Q293 HydrophobicContact CD2-CG 4.05Å; L289-Q293 WeakPolarHBondContact O-CG 3.44Å; L289-Q293 PolarHBondContact O-N 2.93Å; E290-Q293 WeakPolarHBondContact O-CB 3.37Å; E290-Q293 PolarHBondContact O-N 3.15Å; E290-Q293 VanDerWaalsContact O-N 3.08Å; Q293-I296 PolarHBondContact O-N 2.71Å; Q293-N297 WeakPolarHBondContact O-CB 3.34Å; Q293-N297 PolarHBondContact O-N 3.08Å; Q293-N297 PolarHBondContact O-ND2 3.41Å
294E95.5Very high92.8Very high131 Ų13160.9 Ų60.961%0.61230%0.304SS*.Hα-helixtrans-58.6-46.6173.1-70.1179.5170.200111.9E290 K291 I296 N297 A298E290-E294 WeakPolarHBondContact O-CG 3.27Å; E290-E294 PolarHBondContact O-N 3.37Å; K291-E294 PolarHBondContact O-N 3.1Å; E294-I296 PolarHBondContact O-N 3.47Å; E294-N297 PolarHBondContact O-N 3.28Å; E294-A298 WeakPolarHBondContact O-CB 3.46Å; E294-A298 PolarHBondContact O-N 3.3Å
295D94.6Very high93.2Very high54 Ų5467.6 Ų67.629%0.28933%0.325SS..Hα-helixtrans-61.1-41177.9-93.37.2000112.5K236 K291 L292 A298 E299K236-D295 HydrophobicContact CD-CB 4.22Å; K236-D295 VanDerWaalsContact NZ-CG 3.3Å; K236-D295 IonicContact NZ-OD1 2.74Å; K236-D295 IonicContact NZ-OD2 2.71Å; K236-D295 PolarHBondContact NZ-OD2 3.36Å; K291-D295 WeakPolarHBondContact O-CB 3.29Å; K291-D295 PolarHBondContact O-N 3.42Å; L292-D295 PolarHBondContact O-N 3.36Å; D295-A298 PolarHBondContact O-N 2.89Å; D295-E299 WeakPolarHBondContact O-CG 3.25Å; D295-E299 PolarHBondContact O-N 3.19Å
296I95.8Very high93.3Very high7 Ų770.1 Ų70.14%0.03634%0.34CS..Hα-helixtrans-65.9-41.3176.7-74.9170.7000110.7Y239 A269 L292 Q293 E294 E299 L300Y239-I296 HydrophobicContact CD1-CG1 4.35Å; Y239-I296 HydrophobicContact CD1-CG2 4.43Å; Y239-I296 HydrophobicContact CD2-CG2 4.03Å; Y239-I296 HydrophobicContact CE1-CG2 4.18Å; Y239-I296 HydrophobicContact CE2-CG2 3.76Å; Y239-I296 HydrophobicContact CG-CG1 4.25Å; Y239-I296 HydrophobicContact CG-CG2 4.36Å; A269-I296 HydrophobicContact CB-CD1 3.92Å; L292-I296 HydrophobicContact CD1-CD1 3.98Å; L292-I296 HydrophobicContact CD1-CG1 4.23Å; L292-I296 HydrophobicContact CG-CD1 3.99Å; L292-I296 WeakPolarHBondContact O-CB 3.38Å; L292-I296 VanDerWaalsContact O-CG1 3.31Å; L292-I296 WeakPolarHBondContact O-CG1 3.41Å; L292-I296 PolarHBondContact O-N 3.35Å; Q293-I296 PolarHBondContact O-N 2.71Å; E294-I296 PolarHBondContact O-N 3.47Å; I296-E299 PolarHBondContact O-N 2.69Å; I296-L300 PolarHBondContact O-N 3.19Å
297N95.1Very high93.3Very high84 Ų8466.8 Ų66.845%0.44932%0.323SS..Hα-helixtrans-66.6-39.5176.1-70.2-25.1000111.6Q293 E294 L300 E301Q293-N297 WeakPolarHBondContact O-CB 3.34Å; Q293-N297 PolarHBondContact O-N 3.08Å; Q293-N297 PolarHBondContact O-ND2 3.41Å; E294-N297 PolarHBondContact O-N 3.28Å; N297-L300 WeakPolarHBondContact O-CB 3.43Å; N297-L300 PolarHBondContact O-N 3.15Å; N297-E301 PolarHBondContact O-N 2.97Å; N297-E301 VanDerWaalsContact O-N 3.17Å
298A95.1Very high93.1Very high60 Ų6067 Ų6750%0.49632%0.321SS..Hα-helixtrans-63.9-41.8174.400000112E294 D295 L300 E301 K302E294-A298 WeakPolarHBondContact O-CB 3.46Å; E294-A298 PolarHBondContact O-N 3.3Å; D295-A298 PolarHBondContact O-N 2.89Å; A298-L300 VanDerWaalsContact C-N 3.32Å; A298-L300 PolarHBondContact O-N 2.94Å; A298-E301 PolarHBondContact O-N 3.38Å; A298-K302 PolarHBondContact O-N 3.01Å
299E94.9Very high92.9Very high33 Ų3368.8 Ų68.815%0.15434%0.338CS..Hα-helixtrans-64.4-35.9173.6-76.4-66.515100111.8Y239 D295 I296 E301 K302 Y303Y239-E299 HydrophobicContact CD1-CB 4.32Å; Y239-E299 HydrophobicContact CE1-CB 3.7Å; D295-E299 WeakPolarHBondContact O-CG 3.25Å; D295-E299 PolarHBondContact O-N 3.19Å; I296-E299 PolarHBondContact O-N 2.69Å; E299-E301 VanDerWaalsContact C-N 3.35Å; E299-E301 PolarHBondContact O-N 2.83Å; E299-K302 WeakPolarHBondContact O-CB 3.33Å; E299-K302 PolarHBondContact O-N 3.35Å; E299-K302 IonicContact OE1-NZ 3.63Å; E299-K302 PolarHBondContact OE1-NZ 2.88Å; E299-K302 WeakPolarHBondContact OE2-CD 3.43Å; E299-K302 IonicContact OE2-NZ 2.83Å; E299-K302 PolarHBondContact OE2-NZ 2.97Å; E299-Y303 HydrophobicContact CB-CE2 4.45Å; E299-Y303 WeakPolarHBondContact O-CD2 3.23Å; E299-Y303 PolarHBondContact O-N 2.86Å
300L95.3Very high92.4Very high12 Ų1268.7 Ų68.76%0.06334%0.336CS..Hα-helixtrans-57.4-46.5172.617562.3000111.9M243 L259 H262 I296 N297 A298 K302 Y303 K304M243-L300 HydrophobicContact CE-CD1 4.36Å; L259-L300 HydrophobicContact CD2-CD2 4.16Å; H262-L300 HydrophobicContact CB-CD1 3.83Å; I296-L300 PolarHBondContact O-N 3.19Å; N297-L300 WeakPolarHBondContact O-CB 3.43Å; N297-L300 PolarHBondContact O-N 3.15Å; A298-L300 VanDerWaalsContact C-N 3.32Å; A298-L300 PolarHBondContact O-N 2.94Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-K302 PolarHBondContact O-N 3.46Å; L300-Y303 CarbonylContact O-C 3.59Å; L300-Y303 PolarHBondContact O-N 3.41Å; L300-Y303 VanDerWaalsContact O-N 3.07Å; L300-K304 HydrophobicContact CD1-CG 4.46Å; L300-K304 WeakPolarHBondContact O-CG 3.42Å; L300-K304 PolarHBondContact O-N 3.3Å
301E95Very high91.4Very high82 Ų8270.9 Ų70.938%0.38334%0.339SS..Hα-helixtrans-60.7-37.4178.2-69.6-55.2129.700112N297 A298 E299 K304 R305N297-E301 PolarHBondContact O-N 2.97Å; N297-E301 VanDerWaalsContact O-N 3.17Å; A298-E301 PolarHBondContact O-N 3.38Å; E299-E301 VanDerWaalsContact C-N 3.35Å; E299-E301 PolarHBondContact O-N 2.83Å; E301-K304 PolarHBondContact O-N 3.49Å; E301-K304 IonicContact OE1-NZ 3.93Å; E301-K304 PolarHBondContact OE1-NZ 3.31Å; E301-R305 WeakPolarHBondContact O-CG 3.09Å; E301-R305 PolarHBondContact O-N 2.95Å; E301-R305 VanDerWaalsContact O-N 3.16Å
302K93.9Very high89.9Confident100 Ų10069.7 Ų69.744%0.43534%0.342SS..Hα-helixtrans-63.2-45.1171.4173.6-177.8156.9-150.30111.8A298 E299 L300 K304 R305 L306A298-K302 PolarHBondContact O-N 3.01Å; E299-K302 WeakPolarHBondContact O-CB 3.33Å; E299-K302 PolarHBondContact O-N 3.35Å; E299-K302 IonicContact OE1-NZ 3.63Å; E299-K302 PolarHBondContact OE1-NZ 2.88Å; E299-K302 WeakPolarHBondContact OE2-CD 3.43Å; E299-K302 IonicContact OE2-NZ 2.83Å; E299-K302 PolarHBondContact OE2-NZ 2.97Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-K302 PolarHBondContact O-N 3.46Å; K302-K304 VanDerWaalsContact C-N 3.34Å; K302-K304 PolarHBondContact O-N 3.29Å; K302-R305 PolarHBondContact O-N 3.2Å; K302-L306 HydrophobicContact CG-CD1 4.18Å; K302-L306 WeakPolarHBondContact O-CG 3.39Å; K302-L306 PolarHBondContact O-N 3.01Å
303Y93.6Very high88.3Confident6 Ų673.1 Ų73.12%0.02436%0.363CS..Hα-helixtrans-64.6-34.8176.1-78.1-68.5000113Y239 S240 M243 D244 T247 E299 L300 L306 N307Y239-Y303 HydrophobicContact CE1-CE2 4.37Å; S240-Y303 PolarHBondContact O-OH 3.24Å; M243-Y303 HydrophobicContact CB-CD1 4.23Å; M243-Y303 HydrophobicContact CB-CD2 3.81Å; M243-Y303 HydrophobicContact CB-CE1 3.82Å; M243-Y303 HydrophobicContact CB-CE2 3.39Å; M243-Y303 HydrophobicContact CB-CG 4.24Å; M243-Y303 HydrophobicContact CE-CD2 3.9Å; M243-Y303 HydrophobicContact CE-CG 3.89Å; M243-Y303 HydrophobicContact CG-CD2 4.09Å; M243-Y303 HydrophobicContact CG-CE2 3.94Å; D244-Y303 VanDerWaalsContact CG-OH 3.26Å; D244-Y303 VanDerWaalsContact OD1-CE1 3.22Å; D244-Y303 WeakPolarHBondContact OD1-CE1 3.4Å; D244-Y303 VanDerWaalsContact OD1-CZ 3.31Å; D244-Y303 PolarHBondContact OD1-OH 2.92Å; T247-Y303 HydrophobicContact CG2-CD1 4.34Å; E299-Y303 HydrophobicContact CB-CE2 4.45Å; E299-Y303 WeakPolarHBondContact O-CD2 3.23Å; E299-Y303 PolarHBondContact O-N 2.86Å; L300-Y303 CarbonylContact O-C 3.59Å; L300-Y303 PolarHBondContact O-N 3.41Å; L300-Y303 VanDerWaalsContact O-N 3.07Å; Y303-L306 HydrophobicContact CD1-CD1 4.48Å; Y303-L306 PolarHBondContact O-N 3.44Å; Y303-N307 VanDerWaalsContact O-CB 3.23Å; Y303-N307 WeakPolarHBondContact O-CB 3.42Å; Y303-N307 PolarHBondContact O-N 2.89Å
304K92.9Very high86.5Confident50 Ų5070.5 Ų70.522%0.21736%0.358CS..Hα-helixtrans-59.2-50.7172.6-74177.3-179.5171.90111L258 L300 E301 K302 L306 N307 E308L258-K304 HydrophobicContact CD2-CB 4.43Å; L258-K304 HydrophobicContact CD2-CG 3.78Å; L300-K304 HydrophobicContact CD1-CG 4.46Å; L300-K304 WeakPolarHBondContact O-CG 3.42Å; L300-K304 PolarHBondContact O-N 3.3Å; E301-K304 PolarHBondContact O-N 3.49Å; E301-K304 IonicContact OE1-NZ 3.93Å; E301-K304 PolarHBondContact OE1-NZ 3.31Å; K302-K304 VanDerWaalsContact C-N 3.34Å; K302-K304 PolarHBondContact O-N 3.29Å; K304-L306 PolarHBondContact O-N 3.36Å; K304-N307 PolarHBondContact O-N 3.17Å; K304-N307 VanDerWaalsContact O-N 3.17Å; K304-E308 WeakPolarHBondContact O-CG 3.45Å; K304-E308 PolarHBondContact O-N 2.87Å
305R90.5Very high84.7Confident180 Ų18067.6 Ų67.668%0.67935%0.351SS*.Hα-helixtrans-59.9-44.7177.3-65.7177.3-159175.85.5112.3E301 K302 N307 E308 A309E301-R305 WeakPolarHBondContact O-CG 3.09Å; E301-R305 PolarHBondContact O-N 2.95Å; E301-R305 VanDerWaalsContact O-N 3.16Å; K302-R305 PolarHBondContact O-N 3.2Å; R305-N307 VanDerWaalsContact C-N 3.3Å; R305-N307 PolarHBondContact O-N 3.14Å; R305-E308 PolarHBondContact O-N 3.45Å; R305-A309 PolarHBondContact O-N 3.44Å
306L88.5Confident82.9Confident91 Ų9167.5 Ų67.548%0.47636%0.359SS..Hα-helixtrans-63.2-37.5177.1-71.1173.7000112K302 Y303 K304K302-L306 HydrophobicContact CG-CD1 4.18Å; K302-L306 WeakPolarHBondContact O-CG 3.39Å; K302-L306 PolarHBondContact O-N 3.01Å; Y303-L306 HydrophobicContact CD1-CD1 4.48Å; Y303-L306 PolarHBondContact O-N 3.44Å; K304-L306 PolarHBondContact O-N 3.36Å
307N89.1Confident81.1Confident10 Ų1070.4 Ų70.45%0.05338%0.379CS..Hα-helixtrans-69.9-41.6176.9-173.554000111.8M252 M253 L258 Y303 K304 R305 A309 K310M252-N307 WeakPolarHBondContact CG-O 3.25Å; M253-N307 PolarHBondContact N-OD1 2.92Å; M253-N307 PolarHBondContact O-ND2 3.25Å; L258-N307 HydrophobicContact CD2-CB 4.36Å; Y303-N307 VanDerWaalsContact O-CB 3.23Å; Y303-N307 WeakPolarHBondContact O-CB 3.42Å; Y303-N307 PolarHBondContact O-N 2.89Å; K304-N307 PolarHBondContact O-N 3.17Å; K304-N307 VanDerWaalsContact O-N 3.17Å; R305-N307 VanDerWaalsContact C-N 3.3Å; R305-N307 PolarHBondContact O-N 3.14Å; N307-A309 VanDerWaalsContact C-N 3.33Å; N307-A309 PolarHBondContact O-N 3.43Å; N307-K310 WeakPolarHBondContact O-CB 3.36Å; N307-K310 PolarHBondContact O-N 2.99Å; N307-K310 VanDerWaalsContact O-N 3.14Å
308E86.8Confident79.2Confident123 Ų12368.8 Ų68.858%0.57538%0.378SS*.Hα-helixtrans-62.6-37.8175-74.8179.8179.900112.7K304 R305 K310 R311K304-E308 WeakPolarHBondContact O-CG 3.45Å; K304-E308 PolarHBondContact O-N 2.87Å; R305-E308 PolarHBondContact O-N 3.45Å; E308-K310 PolarHBondContact O-N 3.32Å; E308-R311 WeakPolarHBondContact O-CB 3.5Å; E308-R311 PolarHBondContact O-N 3.07Å
309A84.6Confident77.3Confident56 Ų5673 Ų7346%0.46339%0.389SS..Hα-helixtrans-58.8-30.3175.400000112.3R305 N307 R311 V312 T313R305-A309 PolarHBondContact O-N 3.44Å; N307-A309 VanDerWaalsContact C-N 3.33Å; N307-A309 PolarHBondContact O-N 3.43Å; A309-R311 PolarHBondContact O-N 2.91Å; A309-V312 PolarHBondContact O-N 3.35Å; A309-T313 PolarHBondContact O-N 3.21Å
310K82.3Confident75.5Confident42 Ų4278 Ų7818%0.18342%0.416CS..Hα-helixtrans-68.8-18.1175.3-62.5177.1-176.9-173.20113.8T247 G249 M252 N307 E308 V312 T313 G314T247-K310 PolarHBondContact O-NZ 3.16Å; G249-K310 PolarHBondContact O-NZ 3.5Å; M252-K310 HydrophobicContact CB-CB 4.26Å; N307-K310 WeakPolarHBondContact O-CB 3.36Å; N307-K310 PolarHBondContact O-N 2.99Å; N307-K310 VanDerWaalsContact O-N 3.14Å; E308-K310 PolarHBondContact O-N 3.32Å; K310-V312 VanDerWaalsContact C-N 3.34Å; K310-T313 WeakPolarHBondContact CA-OG1 3.4Å; K310-T313 PolarHBondContact O-OG1 3.41Å; K310-G314 WeakPolarHBondContact O-CA 3.48Å; K310-G314 PolarHBondContact O-N 2.87Å
311R72Confident73.6Confident159 Ų15980.9 Ų80.960%0.644%0.442SS*.Hα-helixtrans-62.7-45.1172.2-166.7175.361.5150.3-1.4110.6M252 E308 A309 C315M252-R311 HydrophobicContact SD-CB 3.66Å; M252-R311 HydrophobicContact SD-CG 3.97Å; E308-R311 WeakPolarHBondContact O-CB 3.5Å; E308-R311 PolarHBondContact O-N 3.07Å; A309-R311 PolarHBondContact O-N 2.91Å; R311-C315 WeakPolarHBondContact O-CB 3.44Å; R311-C315 PolarHBondContact O-N 2.84Å; R311-C315 PolarHBondContact O-SG 3.46Å
312V61.8Low71.6Confident98 Ų9880.2 Ų80.259%0.59445%0.445SS*.Hα-helixtrans-70.4-45.5-176.5-177.60000110.6A309 K310 C315 A316A309-V312 PolarHBondContact O-N 3.35Å; K310-V312 VanDerWaalsContact C-N 3.34Å; V312-C315 PolarHBondContact O-N 3.21Å; V312-A316 WeakPolarHBondContact O-CB 3.45Å; V312-A316 PolarHBondContact O-N 3.44Å
313T61.4Low69.4Low75 Ų7576.9 Ų76.946%0.4644%0.439SS..Hα-helixtrans-69.4-35.2177.156.90000112.2A309 K310 A316 S317A309-T313 PolarHBondContact O-N 3.21Å; K310-T313 WeakPolarHBondContact CA-OG1 3.4Å; K310-T313 PolarHBondContact O-OG1 3.41Å; T313-A316 PolarHBondContact O-N 3.29Å; T313-S317 VanDerWaalsContact O-CB 3.29Å; T313-S317 WeakPolarHBondContact O-CB 3.45Å; T313-S317 PolarHBondContact O-N 3.17Å; T313-S317 PolarHBondContact O-OG 3.48Å
314G58.4Low67.3Low27 Ų2782.9 Ų82.928%0.27847%0.472SS..Hα-helixtrans-64.3-43.8174.200000112.7K310 A318K310-G314 WeakPolarHBondContact O-CA 3.48Å; K310-G314 PolarHBondContact O-N 2.87Å; G314-A318 VanDerWaalsContact O-CB 3.25Å; G314-A318 WeakPolarHBondContact O-CB 3.5Å; G314-A318 PolarHBondContact O-N 3.23Å
315C57.4Low65.1Low70 Ų7084.1 Ų84.147%0.47349%0.486SS..Hα-helixtrans-65.9-42.4174.5-73.60000112.4R311 V312 A318 M319R311-C315 WeakPolarHBondContact O-CB 3.44Å; R311-C315 PolarHBondContact O-N 2.84Å; R311-C315 PolarHBondContact O-SG 3.46Å; V312-C315 PolarHBondContact O-N 3.21Å; C315-A318 PolarHBondContact O-N 2.85Å; C315-M319 WeakPolarHBondContact O-CB 3.42Å; C315-M319 WeakPolarHBondContact O-CG 3.44Å; C315-M319 PolarHBondContact O-N 2.97Å
316A55.9Low62.9Low53 Ų5380.3 Ų80.344%0.43848%0.483SS..Hα-helixtrans-63.9-42.6176.500000111.8V312 T313 M319 L320V312-A316 WeakPolarHBondContact O-CB 3.45Å; V312-A316 PolarHBondContact O-N 3.44Å; T313-A316 PolarHBondContact O-N 3.29Å; A316-M319 PolarHBondContact O-N 3.4Å; A316-L320 WeakPolarHBondContact O-CG 3.16Å; A316-L320 PolarHBondContact O-N 3.43Å
317S57.7Low60.7Low67 Ų6783.9 Ų83.947%0.46950%0.495SS..Hα-helixtrans-65.9-38.9175.8-53.50000112.1T313 L320 A321T313-S317 VanDerWaalsContact O-CB 3.29Å; T313-S317 WeakPolarHBondContact O-CB 3.45Å; T313-S317 PolarHBondContact O-N 3.17Å; T313-S317 PolarHBondContact O-OG 3.48Å; S317-L320 PolarHBondContact O-N 2.96Å; S317-A321 WeakPolarHBondContact O-CB 3.47Å; S317-A321 PolarHBondContact O-N 3.23Å
318A56.3Low58.5Low51 Ų5190.9 Ų90.942%0.42153%0.531SS..Hα-helixtrans-68.6-39.1175.100000112.2G314 C315 L320 A321 C322G314-A318 VanDerWaalsContact O-CB 3.25Å; G314-A318 WeakPolarHBondContact O-CB 3.5Å; G314-A318 PolarHBondContact O-N 3.23Å; C315-A318 PolarHBondContact O-N 2.85Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-A321 PolarHBondContact O-N 3.44Å; A318-C322 VanDerWaalsContact O-CB 3.29Å; A318-C322 WeakPolarHBondContact O-CB 3.35Å; A318-C322 PolarHBondContact O-N 3.05Å; A318-C322 PolarHBondContact O-SG 3.15Å
319M53.8Low56.4Low149 Ų14988.3 Ų88.373%0.73454%0.538SS*.Hα-helixtrans-65.1-36.6173.7-78.6-174.6-18000112.2C315 A316 G323C315-M319 WeakPolarHBondContact O-CB 3.42Å; C315-M319 WeakPolarHBondContact O-CG 3.44Å; C315-M319 PolarHBondContact O-N 2.97Å; A316-M319 PolarHBondContact O-N 3.4Å; M319-G323 WeakPolarHBondContact O-CA 3.32Å; M319-G323 PolarHBondContact O-N 3.48Å
320L57.3Low54.5Low137 Ų13791.7 Ų91.772%0.71755%0.547SS*.Hα-helixtrans-67.8-44.3172.8-73.3167.5000111.8A316 S317 A318 G323A316-L320 WeakPolarHBondContact O-CG 3.16Å; A316-L320 PolarHBondContact O-N 3.43Å; S317-L320 PolarHBondContact O-N 2.96Å; A318-L320 VanDerWaalsContact C-N 3.34Å; L320-G323 PolarHBondContact O-N 2.84Å
321A56.7Low52.4Low73 Ų7393.4 Ų93.460%0.60358%0.577SS**Hα-helixtrans-68.6-33.6179.100000113.4S317 A318S317-A321 WeakPolarHBondContact O-CB 3.47Å; S317-A321 PolarHBondContact O-N 3.23Å; A318-A321 PolarHBondContact O-N 3.44Å
322C52.5Low50.9Low68 Ų6893.2 Ų93.246%0.45959%0.587SS.*Hα-helixtrans-85.2-10.5174.2-63.90000112.9A318 D324 S325 V326A318-C322 VanDerWaalsContact O-CB 3.29Å; A318-C322 WeakPolarHBondContact O-CB 3.35Å; A318-C322 PolarHBondContact O-N 3.05Å; A318-C322 PolarHBondContact O-SG 3.15Å; C322-D324 PolarHBondContact O-N 3.05Å; C322-S325 PolarHBondContact O-N 3.08Å; C322-S325 PolarHBondContact O-OG 3.36Å; C322-V326 PolarHBondContact O-N 3.29Å
323G47.8Very low49.8Very low29 Ų2991.6 Ų91.630%0.29959%0.59SS.*Hα-helixtrans-62.7-27.8179.400000113.3M319 L320 S325M319-G323 WeakPolarHBondContact O-CA 3.32Å; M319-G323 PolarHBondContact O-N 3.48Å; L320-G323 PolarHBondContact O-N 2.84Å; G323-S325 VanDerWaalsContact C-N 3.33Å
324D48.6Very low49Very low133 Ų13393.7 Ų93.771%0.71161%0.608SS**Hα-helixtrans-75.4-20.3174.7-74.7-14.7000113.2C322 L328C322-D324 PolarHBondContact O-N 3.05Å; D324-L328 WeakPolarHBondContact O-CD1 3.41Å
325S48.1Very low48.2Very low75 Ų7597.1 Ų97.152%0.52463%0.634SS.*Hα-helixtrans-100.4-28.7-174.617.40000113.5C322 G323C322-S325 PolarHBondContact O-N 3.08Å; C322-S325 PolarHBondContact O-OG 3.36Å; G323-S325 VanDerWaalsContact C-N 3.33Å
326V43.4Very low47.4Very low100 Ų10096.5 Ų96.561%0.60663%0.634SS**Hα-helixtrans-74.7-31.3176.9177.60000111.9C322C322-V326 PolarHBondContact O-N 3.29Å
327F41.8Very low46.9Very low167 Ų16798.9 Ų98.973%0.73265%0.647SS**Hα-helixtrans-79.6-13.5177.2-90.6-80.9000114.6
328L44.1Very low46.1Very low156 Ų15698.6 Ų98.682%0.81765%0.654SS**Hα-helixtrans-88.2-19.6177-116.4112.4000113.6D324D324-L328 WeakPolarHBondContact O-CD1 3.41Å
329G41.9Very low45.5Very low69 Ų6999.9 Ų99.971%0.71167%0.665SS**Hα-helixtrans-93.4-15-173.100000116
330I44.5Very low45.1Very low127 Ų12798 Ų9865%0.65166%0.657SS**SBendtrans-112.3105.9171.9-57.2176.6000105.5L332I330-L332 VanDerWaalsContact C-N 3.26Å; I330-L332 PolarHBondContact O-N 2.9Å
331G38.8Very low44.3Very low79 Ų7994.2 Ų94.281%0.81465%0.646SS**  trans-59.178.5-173.300000114.4
332L40Very low43.6Very low154 Ų15492.7 Ų92.781%0.80664%0.637SS**  trans-121.972.8162.4-74.3170.9000106.8I330I330-L332 VanDerWaalsContact C-N 3.26Å; I330-L332 PolarHBondContact O-N 2.9Å
333G38.6Very low43.2Very low65 Ų6591.9 Ų91.967%0.6764%0.635SS**  trans-58.7148.4172.400000111.7
334S44.3Very low43.1Very low119 Ų11994.1 Ų94.183%0.83264%0.643SS**SBendtrans62.681.7156.159.20000117.6
335A42.2Very low42.8Very low99 Ų9993.8 Ų93.882%0.81864%0.64SS**SBendtrans-169.2-26.2140.900000113.3
336A41.6Very low42.7Very low57 Ų5794.7 Ų94.747%0.47164%0.643SS.*SBendtrans-89.8-16-169.600000115.5G338A336-G338 VanDerWaalsContact C-N 3.32Å; A336-G338 PolarHBondContact O-N 3.24Å
337S43.8Very low42.7Very low102 Ų10297 Ų9771%0.71365%0.651SS**Hα-helixtrans-70-23.9-172.5-49.40000114.2
338G41.8Very low42.6Very low61 Ų6197.1 Ų97.163%0.62965%0.654SS**Hα-helixtrans-76.4-34.3-178.900000114.2A336A336-G338 VanDerWaalsContact C-N 3.32Å; A336-G338 PolarHBondContact O-N 3.24Å
339A43.5Very low42.5Very low78 Ų7892.9 Ų92.965%0.64564%0.641SS**Hα-helixtrans-78.6-31.8-174.800000112.8
340I44.8Very low42.4Very low110 Ų11092.7 Ų92.756%0.56464%0.639SS**Hα-helixtrans-78.6-38-178-57172.5000110.6G342 A343 V344I340-G342 VanDerWaalsContact C-N 3.31Å; I340-G342 PolarHBondContact O-N 2.92Å; I340-A343 PolarHBondContact O-N 2.98Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.34Å
341A40.5Very low42.1Very low58 Ų5891.9 Ų91.948%0.47964%0.64SS.*Hα-helixtrans-62.9-36.4175.600000112.7L345A341-L345 PolarHBondContact O-N 3.22Å
342G42Very low42.5Very low41 Ų4195.1 Ų95.142%0.42364%0.643SS.*Hα-helixtrans-65-39.6177.200000113.6I340 T346I340-G342 VanDerWaalsContact C-N 3.31Å; I340-G342 PolarHBondContact O-N 2.92Å; G342-T346 PolarHBondContact O-N 3.34Å; G342-T346 PolarHBondContact O-OG1 3.35Å
343A45.6Very low42.2Very low50 Ų5092.2 Ų92.241%0.41364%0.636SS.*Hα-helixtrans-71.6-34.6179.600000112.9I340 T346 L347I340-A343 PolarHBondContact O-N 2.98Å; A343-T346 PolarHBondContact O-N 2.93Å; A343-T346 PolarHBondContact O-OG1 2.94Å; A343-L347 PolarHBondContact O-N 3.08Å
344V45.2Very low42.1Very low76 Ų7697.3 Ų97.346%0.46165%0.647SS.*Hα-helixtrans-70.3-38.5178.6175.70000111.6I340 T346 L347 Q348I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.34Å; V344-T346 VanDerWaalsContact C-N 3.33Å; V344-T346 PolarHBondContact O-N 3.43Å; V344-L347 PolarHBondContact O-N 2.99Å; V344-Q348 PolarHBondContact O-N 3.02Å; V344-Q348 VanDerWaalsContact O-N 3.09Å
345L41.5Very low42Very low127 Ų12795 Ų9567%0.66564%0.641SS**Hα-helixtrans-63.4-37.3174.7-100.6154.5000112.4A341 A349A341-L345 PolarHBondContact O-N 3.22Å; L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.43Å; L345-A349 PolarHBondContact O-N 3.5Å
346T46.3Very low41.7Very low94 Ų9498 Ų9858%0.57764%0.642SS**Hα-helixtrans-71.3-29176.651.40000113.5G342 A343 V344G342-T346 PolarHBondContact O-N 3.34Å; G342-T346 PolarHBondContact O-OG1 3.35Å; A343-T346 PolarHBondContact O-N 2.93Å; A343-T346 PolarHBondContact O-OG1 2.94Å; V344-T346 VanDerWaalsContact C-N 3.33Å; V344-T346 PolarHBondContact O-N 3.43Å
347L44.6Very low41.4Very low148 Ų148101.7 Ų101.778%0.77566%0.658SS**Hα-helixtrans-81.5-33.1-179.6-108.8144.6000113.1A343 V344A343-L347 PolarHBondContact O-N 3.08Å; V344-L347 PolarHBondContact O-N 2.99Å
348Q39.8Very low41Very low170 Ų170100.5 Ų100.579%0.79466%0.655SS**Hα-helixtrans-78.7-22.4173.8-80.3-173.5-67.900113.7V344V344-Q348 PolarHBondContact O-N 3.02Å; V344-Q348 VanDerWaalsContact O-N 3.09Å
349A40.5Very low41.1Very low67 Ų67103.8 Ų103.855%0.55466%0.657SS**THydrogen-bonded Turntrans-85.7-0.1-177.300000115.2L345 V351L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.43Å; L345-A349 PolarHBondContact O-N 3.5Å; A349-V351 VanDerWaalsContact C-N 3.27Å; A349-V351 PolarHBondContact O-N 2.93Å; A349-V351 VanDerWaalsContact O-N 3.17Å
350G40.9Very low41.2Very low65 Ų65105.9 Ų105.967%0.6766%0.664SS**THydrogen-bonded Turntrans61.627.7170.400000115.4V352G350-V352 PolarHBondContact O-N 2.88Å
351V37.3Very low41.5Very low109 Ų109105.6 Ų105.666%0.66166%0.662SS**  trans-91.690175.1-171.70000109A349 S353A349-V351 VanDerWaalsContact C-N 3.27Å; A349-V351 PolarHBondContact O-N 2.93Å; A349-V351 VanDerWaalsContact O-N 3.17Å; V351-S353 PolarHBondContact O-N 3.44Å
352V46.8Very low42.5Very low147 Ų147105.4 Ų105.489%0.89166%0.658SS**  trans-72.899.9160.7178.50000106.9G350G350-V352 PolarHBondContact O-N 2.88Å
353S34.9Very low43Very low93 Ų93110.7 Ų110.765%0.6568%0.675SS**  trans-131.2105161.679.50000111.1V351V351-S353 PolarHBondContact O-N 3.44Å
354L36.4Very low43.5Very low173 Ų173112.5 Ų112.591%0.90668%0.681SS**  trans30110.4145.6-75.8155.3000118.3
355G42.8Very low44.4Very low69 Ų69111.7 Ų111.771%0.71168%0.677SS**SBendtrans90.7129144.700000115.7
356I35Very low45.7Very low163 Ų163110.1 Ų110.184%0.83667%0.668SS**  trans8284.5176.9-46.3163.9000113.4A358I356-A358 HydrophobicContact CG2-CB 4.27Å; I356-A358 PolarHBondContact O-N 2.93Å
357V34.7Very low46.9Very low134 Ų134111.5 Ų111.581%0.81267%0.667SS**  trans-68.186.9153.9-178.60000106.7I359V357-I359 VanDerWaalsContact C-N 3.34Å; V357-I359 HydrophobicContact CG1-CG1 3.99Å; V357-I359 PolarHBondContact O-N 2.96Å
358A36.8Very low48.1Very low77 Ų77111.5 Ų111.564%0.63666%0.661SS**  trans-69.997.1165.600000106.6I356 P360I356-A358 HydrophobicContact CG2-CB 4.27Å; I356-A358 PolarHBondContact O-N 2.93Å; A358-P360 WeakPolarHBondContact O-CD 3.35Å
359I42.7Very low49.8Very low130 Ų130108 Ų10867%0.66765%0.646SS**  trans-66.9112.8169-58.6175000105.7V357 I361V357-I359 VanDerWaalsContact C-N 3.34Å; V357-I359 HydrophobicContact CG1-CG1 3.99Å; V357-I359 PolarHBondContact O-N 2.96Å; I359-I361 PolarHBondContact O-N 2.9Å
360P45.2Very low51.6Low122 Ų122112 Ų11279%0.79265%0.647SS**  trans-70.699.3177.528.3-29.8000107.7A358 S362A358-P360 WeakPolarHBondContact O-CD 3.35Å; P360-S362 PolarHBondContact O-N 3.32Å
361I52.5Low53.2Low105 Ų105110.3 Ų110.354%0.53863%0.627SS.*  trans-64.6115.9169-62176.9000105.9I359 T365 L366I359-I361 PolarHBondContact O-N 2.9Å; I361-T365 WeakPolarHBondContact CG2-OG1 3.06Å; I361-L366 HydrophobicContact CG2-CG 4.17Å
362S60.6Low55.1Low54 Ų54112.3 Ų112.338%0.37862%0.624SS.*  trans-57.7145.5-177.263.30000110.8P360 T364 T365 L366P360-S362 PolarHBondContact O-N 3.32Å; S362-T364 WeakPolarHBondContact CB-OG1 3.28Å; S362-T364 PolarHBondContact O-N 3.13Å; S362-T364 PolarHBondContact OG-OG1 2.67Å; S362-T365 PolarHBondContact N-OG1 3.12Å; S362-T365 VanDerWaalsContact N-OG1 3.12Å; S362-T365 PolarHBondContact O-N 2.78Å; S362-T365 PolarHBondContact O-OG1 2.86Å; S362-T365 PolarHBondContact OG-N 2.86Å; S362-T365 PolarHBondContact OG-OG1 3.24Å; S362-L366 PolarHBondContact O-N 2.74Å; S362-L366 VanDerWaalsContact O-N 3.13Å
363L53.3Low56.7Low151 Ų151109.8 Ų109.879%0.79161%0.608SS**Hα-helixtrans-52.7-27.4172.1-84.3157.3000112.3F367L363-F367 WeakPolarHBondContact O-CB 3.36Å; L363-F367 PolarHBondContact O-N 2.99Å
364T55.1Low58.7Low88 Ų88113.4 Ų113.454%0.5461%0.608SS.*Hα-helixtrans-65.5-41.7172.652.80000112.9S362 F367 F368S362-T364 WeakPolarHBondContact CB-OG1 3.28Å; S362-T364 PolarHBondContact O-N 3.13Å; S362-T364 PolarHBondContact OG-OG1 2.67Å; T364-F367 PolarHBondContact O-N 3.33Å; T364-F368 WeakPolarHBondContact O-CD2 3.42Å; T364-F368 PolarHBondContact O-N 3.33Å
365T65.1Low60.7Low60 Ų60108.3 Ų108.337%0.36858%0.584SS.*Hα-helixtrans-71.1-37.1177.433.90000111.5I361 S362 F367 F368 I369I361-T365 WeakPolarHBondContact CG2-OG1 3.06Å; S362-T365 PolarHBondContact N-OG1 3.12Å; S362-T365 VanDerWaalsContact N-OG1 3.12Å; S362-T365 PolarHBondContact O-N 2.78Å; S362-T365 PolarHBondContact O-OG1 2.86Å; S362-T365 PolarHBondContact OG-N 2.86Å; S362-T365 PolarHBondContact OG-OG1 3.24Å; T365-F367 VanDerWaalsContact C-N 3.33Å; T365-F367 PolarHBondContact O-N 2.89Å; T365-F368 PolarHBondContact O-N 2.96Å; T365-I369 WeakPolarHBondContact O-CD1 3.48Å; T365-I369 VanDerWaalsContact O-CG1 3.25Å; T365-I369 WeakPolarHBondContact O-CG1 3.04Å; T365-I369 PolarHBondContact O-N 3.34Å
366L67.8Low62.1Low93 Ų93110 Ų11049%0.48757%0.572SS.*Hα-helixtrans-62.1-39.1169.9-80.1165000112.3I361 S362 I369 W370I361-L366 HydrophobicContact CG2-CG 4.17Å; S362-L366 PolarHBondContact O-N 2.74Å; S362-L366 VanDerWaalsContact O-N 3.13Å; L366-I369 PolarHBondContact O-N 3.44Å; L366-W370 VanDerWaalsContact O-CB 3.28Å; L366-W370 WeakPolarHBondContact O-CB 3.25Å; L366-W370 PolarHBondContact O-N 2.86Å
367F71.5Confident63.8Low124 Ų124105.3 Ų105.354%0.54455%0.552SS.*Hα-helixtrans-65.5-42175.4-177.5-97.8000112.2L363 T364 T365 W370 A371L363-F367 WeakPolarHBondContact O-CB 3.36Å; L363-F367 PolarHBondContact O-N 2.99Å; T364-F367 PolarHBondContact O-N 3.33Å; T365-F367 VanDerWaalsContact C-N 3.33Å; T365-F367 PolarHBondContact O-N 2.89Å; F367-W370 HydrophobicContact CD2-CE3 4.41Å; F367-W370 HydrophobicContact CE2-CE3 4.28Å; F367-W370 HydrophobicContact CE2-CZ3 4.33Å; F367-W370 PolarHBondContact O-N 2.95Å; F367-A371 VanDerWaalsContact O-CB 3.3Å; F367-A371 WeakPolarHBondContact O-CB 3.3Å; F367-A371 PolarHBondContact O-N 2.69Å
368F70.8Confident65.3Low147 Ų147102.7 Ų102.765%0.64554%0.539SS*.Hα-helixtrans-65.8-39.5175.3-78-65.7000112.5T364 T365 A371 Y372T364-F368 WeakPolarHBondContact O-CD2 3.42Å; T364-F368 PolarHBondContact O-N 3.33Å; T365-F368 PolarHBondContact O-N 2.96Å; F368-A371 PolarHBondContact O-N 2.99Å; F368-Y372 VanDerWaalsContact O-CB 3.26Å; F368-Y372 WeakPolarHBondContact O-CB 3.07Å; F368-Y372 PolarHBondContact O-N 3.34Å
369I75.6Confident66.6Low97 Ų97106.6 Ų106.650%0.49754%0.542SS..Hα-helixtrans-63.5-44.9173.7-68.1163.8000110T365 L366 Y372 V373T365-I369 WeakPolarHBondContact O-CD1 3.48Å; T365-I369 VanDerWaalsContact O-CG1 3.25Å; T365-I369 WeakPolarHBondContact O-CG1 3.04Å; T365-I369 PolarHBondContact O-N 3.34Å; L366-I369 PolarHBondContact O-N 3.44Å; I369-Y372 PolarHBondContact O-N 3.3Å; I369-V373 HydrophobicContact CG2-CG2 4.36Å; I369-V373 WeakPolarHBondContact O-CB 3.43Å; I369-V373 VanDerWaalsContact O-CG2 3.24Å; I369-V373 WeakPolarHBondContact O-CG2 3.34Å; I369-V373 PolarHBondContact O-N 3.48Å
370W77.9Confident67.8Low150 Ų150105.9 Ų105.957%0.56854%0.536SS*.Hα-helixtrans-63.1-45.3177.6-178.181.1000112.3L366 F367 Y372 V373 W374L366-W370 VanDerWaalsContact O-CB 3.28Å; L366-W370 WeakPolarHBondContact O-CB 3.25Å; L366-W370 PolarHBondContact O-N 2.86Å; F367-W370 HydrophobicContact CD2-CE3 4.41Å; F367-W370 HydrophobicContact CE2-CE3 4.28Å; F367-W370 HydrophobicContact CE2-CZ3 4.33Å; F367-W370 PolarHBondContact O-N 2.95Å; W370-Y372 VanDerWaalsContact C-N 3.33Å; W370-Y372 PolarHBondContact O-N 2.87Å; W370-V373 PolarHBondContact O-N 3.47Å; W370-W374 HydrophobicContact CZ2-CE3 4.48Å; W370-W374 VanDerWaalsContact O-CB 3.28Å; W370-W374 WeakPolarHBondContact O-CB 3.26Å; W370-W374 PolarHBondContact O-N 3.35Å
371A74.8Confident68.7Low30 Ų30108 Ų10825%0.24853%0.532CS..Hα-helixtrans-62.5-39.7176.100000111.8F367 F368 T375F367-A371 VanDerWaalsContact O-CB 3.3Å; F367-A371 WeakPolarHBondContact O-CB 3.3Å; F367-A371 PolarHBondContact O-N 2.69Å; F368-A371 PolarHBondContact O-N 2.99Å; A371-T375 WeakPolarHBondContact O-CB 3.28Å; A371-T375 VanDerWaalsContact O-CG2 3.24Å; A371-T375 WeakPolarHBondContact O-CG2 3.24Å; A371-T375 PolarHBondContact O-N 2.81Å; A371-T375 PolarHBondContact O-OG1 3.5Å
372Y77.4Confident69Low152 Ų152107.8 Ų107.860%0.59654%0.536SS*.Hα-helixtrans-65.6-46.1175.9179-99.3000112F368 I369 W370 W374 T375 K376F368-Y372 VanDerWaalsContact O-CB 3.26Å; F368-Y372 WeakPolarHBondContact O-CB 3.07Å; F368-Y372 PolarHBondContact O-N 3.34Å; I369-Y372 PolarHBondContact O-N 3.3Å; W370-Y372 VanDerWaalsContact C-N 3.33Å; W370-Y372 PolarHBondContact O-N 2.87Å; Y372-W374 VanDerWaalsContact C-N 3.34Å; Y372-W374 PolarHBondContact O-N 2.91Å; Y372-T375 PolarHBondContact O-OG1 3.44Å; Y372-K376 WeakPolarHBondContact O-CB 3.49Å; Y372-K376 PolarHBondContact O-N 3.35Å; Y372-K376 VanDerWaalsContact O-N 3.17Å
373V79.6Confident68.9Low93 Ų93109.3 Ų109.356%0.56455%0.547SS*.Hα-helixtrans-65.7-37178.2171.80000111.7I369 W370 P377I369-V373 HydrophobicContact CG2-CG2 4.36Å; I369-V373 WeakPolarHBondContact O-CB 3.43Å; I369-V373 VanDerWaalsContact O-CG2 3.24Å; I369-V373 WeakPolarHBondContact O-CG2 3.34Å; I369-V373 PolarHBondContact O-N 3.48Å; W370-V373 PolarHBondContact O-N 3.47Å; V373-P377 WeakPolarHBondContact O-CD 3.24Å
374W77.8Confident69Low169 Ų169108.4 Ų108.464%0.6454%0.542SS*.Hα-helixtrans-74.6-37.9179.5-171.6-93.9000113.3W370 Y372 P377W370-W374 HydrophobicContact CZ2-CE3 4.48Å; W370-W374 VanDerWaalsContact O-CB 3.28Å; W370-W374 WeakPolarHBondContact O-CB 3.26Å; W370-W374 PolarHBondContact O-N 3.35Å; Y372-W374 VanDerWaalsContact C-N 3.34Å; Y372-W374 PolarHBondContact O-N 2.91Å; W374-P377 WeakPolarHBondContact O-CD 3.45Å; W374-P377 WeakPolarHBondContact O-CG 3.4Å
375T77.2Confident69.1Low67 Ų67113 Ų11341%0.41156%0.555SS.*Hα-helixtrans-79-29.8-177.452.10000113.4A371 Y372 C378 F379A371-T375 WeakPolarHBondContact O-CB 3.28Å; A371-T375 VanDerWaalsContact O-CG2 3.24Å; A371-T375 WeakPolarHBondContact O-CG2 3.24Å; A371-T375 PolarHBondContact O-N 2.81Å; A371-T375 PolarHBondContact O-OG1 3.5Å; Y372-T375 PolarHBondContact O-OG1 3.44Å; T375-C378 WeakPolarHBondContact O-CB 3.39Å; T375-C378 PolarHBondContact O-N 3.27Å; T375-C378 VanDerWaalsContact O-N 3.14Å; T375-F379 PolarHBondContact O-N 3.14Å
376K72.2Confident68.6Low103 Ų103117.2 Ų117.245%0.44858%0.575SS.*Hα-helixtrans-52.9-50.8179.4-171.4178.4179.5-176.90114.4Y372 C378 F379 E380Y372-K376 WeakPolarHBondContact O-CB 3.49Å; Y372-K376 PolarHBondContact O-N 3.35Å; Y372-K376 VanDerWaalsContact O-N 3.17Å; K376-C378 VanDerWaalsContact C-N 3.29Å; K376-C378 PolarHBondContact O-N 3.17Å; K376-F379 PolarHBondContact O-N 3.18Å; K376-E380 PolarHBondContact O-N 3.18Å
377P70.6Confident67.7Low66 Ų66124.8 Ų124.843%0.42960%0.604SS.*Hα-helixtrans-70-21.917925.5-33.8000113.9V373 W374 K381V373-P377 WeakPolarHBondContact O-CD 3.24Å; W374-P377 WeakPolarHBondContact O-CD 3.45Å; W374-P377 WeakPolarHBondContact O-CG 3.4Å; P377-K381 PolarHBondContact O-N 3.06Å
378C67Low67.5Low78 Ų78124.9 Ų124.953%0.52761%0.607SS.*Hα-helixtrans-71.5-38.5172.9-84.70000111.8T375 K376 V382T375-C378 WeakPolarHBondContact O-CB 3.39Å; T375-C378 PolarHBondContact O-N 3.27Å; T375-C378 VanDerWaalsContact O-N 3.14Å; K376-C378 VanDerWaalsContact C-N 3.29Å; K376-C378 PolarHBondContact O-N 3.17Å; C378-V382 WeakPolarHBondContact O-CG2 3.49Å; C378-V382 PolarHBondContact O-N 3.35Å
379F64Low67.3Low159 Ų159123.7 Ų123.770%0.69761%0.605SS**Hα-helixtrans-71-38.9176.4-91.1-81.8000112.8T375 K376 K381 V382 S383T375-F379 PolarHBondContact O-N 3.14Å; K376-F379 PolarHBondContact O-N 3.18Å; F379-K381 VanDerWaalsContact C-N 3.32Å; F379-K381 PolarHBondContact O-N 3.23Å; F379-V382 PolarHBondContact O-N 3.41Å; F379-S383 PolarHBondContact O-N 3.46Å
380E67.6Low66.9Low116 Ų116125.2 Ų125.254%0.54261%0.611SS.*Hα-helixtrans-64.9-33.6177.5-74.4177-178.300112.5K376 N384K376-E380 PolarHBondContact O-N 3.18Å; E380-N384 PolarHBondContact O-N 3.47Å
381K63.6Low66.2Low166 Ų166123.7 Ų123.772%0.72261%0.614SS**Hα-helixtrans-70.8-27.4174.6-81.5-178.8178.4176.60114.4P377 F379P377-K381 PolarHBondContact O-N 3.06Å; F379-K381 VanDerWaalsContact C-N 3.32Å; F379-K381 PolarHBondContact O-N 3.23Å
382V60.5Low65.7Low101 Ų101129.6 Ų129.661%0.61264%0.637SS**Hα-helixtrans-81.5-34.9176.3175.70000110.7C378 F379C378-V382 WeakPolarHBondContact O-CG2 3.49Å; C378-V382 PolarHBondContact O-N 3.35Å; F379-V382 PolarHBondContact O-N 3.41Å
383S58.4Low64.9Low86 Ų86128.1 Ų128.160%0.60164%0.639SS**Hα-helixtrans-70.1-32.9177.8-169.60000113.3F379 K385F379-S383 PolarHBondContact O-N 3.46Å; S383-K385 PolarHBondContact O-N 3.22Å
384N55.5Low63.9Low132 Ų132130.6 Ų130.671%0.70665%0.645SS**THydrogen-bonded Turntrans-82-1.2178.2-94.5-7.3000115.5E380E380-N384 PolarHBondContact O-N 3.47Å
385K55.4Low62.8Low183 Ų183127.6 Ų127.680%0.79665%0.645SS**THydrogen-bonded Turntrans-92.2-6.8172.3-92.1-174174.7-175.60114.1S383S383-K385 PolarHBondContact O-N 3.22Å
386N54.8Low61.6Low149 Ų149132.7 Ų132.780%0.79767%0.665SS**  trans-117.831.5-179.3-77-13.7000112.7
387K49.5Very low60.6Low253 Ų253135.4 Ų135.4100%1.168%0.684SS**  trans-1280168.5-98.1-173177.5-179.80111

Retrieved 387 of 387 residues in 237 ms (Link to these results)

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