C4Q8S0_SCHMA Loading...

DNA-methyltransferase 2 isoform 1

AlphaFold DB , UniProt , Accession C4Q8S0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Dnmt2, Length 368 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
1M92.9Very high97.3Very high41 Ų4116.8 Ų16.820%0.2028%0.083CC..  0152.6059.3-177.152.900110V3 F17 V22 K23 H24 E25 V69 F366M1-V3 HydrophobicContact CG-CG2 3.89Å; M1-V3 HydrophobicContact SD-CG2 3.91Å; M1-F17 HydrophobicContact SD-CD1 3.77Å; M1-F17 HydrophobicContact SD-CE1 3.58Å; M1-F17 VanDerWaalsContact SD-CE1 3.58Å; M1-V22 HydrophobicContact CE-CB 4.38Å; M1-V22 HydrophobicContact CE-CG1 3.24Å; M1-V22 HydrophobicContact SD-CG1 4.11Å; M1-K23 WeakPolarHBondContact CG-O 3.44Å; M1-K23 PolarHBondContact N-O 2.63Å; M1-H24 HydrophobicContact CG-CB 3.39Å; M1-H24 CarbonylContact O-C 3.51Å; M1-H24 WeakPolarHBondContact O-CA 3.38Å; M1-H24 HydrophobicContact SD-CB 3.81Å; M1-E25 PolarHBondContact O-N 3.37Å; M1-V69 HydrophobicContact CB-CG2 4.08Å; M1-V69 HydrophobicContact SD-CG2 4.38Å; M1-F366 HydrophobicContact CE-CB 3.38Å; M1-F366 HydrophobicContact CE-CD2 4.23Å; M1-F366 HydrophobicContact CE-CG 3.85Å
2R97.6Very high97.4Very high78 Ų7815.7 Ų15.729%0.2948%0.079SC..EExtended strand (participates in β ladder)trans-114.3114.9175.7-73.7-179.367.889.5-3.3107.9E25 V27 L65 N66 A67 N68 V69R2-E25 CarbonylContact C-O 3.57Å; R2-E25 WeakPolarHBondContact CA-O 3.25Å; R2-E25 IonicContact CZ-OE1 3.85Å; R2-E25 IonicContact CZ-OE2 3.3Å; R2-E25 IonicContact NH1-OE1 3.82Å; R2-E25 PolarHBondContact NH1-OE1 3.36Å; R2-E25 IonicContact NH1-OE2 3.43Å; R2-E25 PolarHBondContact NH1-OE2 3.32Å; R2-V27 HydrophobicContact CB-CG1 3.73Å; R2-V27 HydrophobicContact CG-CG1 4.04Å; R2-V27 VanDerWaalsContact CZ-CG1 3.44Å; R2-L65 PolarHBondContact NH2-O 3.18Å; R2-N66 WeakPolarHBondContact CB-O 3.41Å; R2-N66 VanDerWaalsContact CD-O 3.29Å; R2-N66 WeakPolarHBondContact CD-O 3.43Å; R2-N66 PolarHBondContact NE-O 3.45Å; R2-A67 CarbonylContact O-C 3.56Å; R2-A67 WeakPolarHBondContact O-CA 3.47Å; R2-N68 PolarHBondContact N-OD1 2.96Å; R2-N68 PolarHBondContact O-N 3.25Å; R2-N68 PolarHBondContact O-OD1 3.43Å; R2-N68 VanDerWaalsContact O-OD1 3.13Å; R2-V69 PolarHBondContact O-N 3.21Å; R2-V69 VanDerWaalsContact O-N 3.08Å
3V98.4Very high97.4Very high0 Ų014.8 Ų14.80%08%0.075CC..EExtended strand (participates in β ladder)trans-106.8127.5-166-176.70000110.8M1 F17 H24 E25 V26 V27 V69M1-V3 HydrophobicContact CG-CG2 3.89Å; M1-V3 HydrophobicContact SD-CG2 3.91Å; V3-F17 HydrophobicContact CG1-CD2 4.28Å; V3-F17 HydrophobicContact CG1-CE2 3.66Å; V3-F17 HydrophobicContact CG1-CZ 3.87Å; V3-F17 HydrophobicContact CG2-CD1 4.27Å; V3-F17 HydrophobicContact CG2-CE1 3.99Å; V3-F17 HydrophobicContact CG2-CE2 4.33Å; V3-F17 HydrophobicContact CG2-CZ 4.03Å; V3-H24 HydrophobicContact CG2-CB 4.28Å; V3-E25 PolarHBondContact N-O 3.49Å; V3-V26 HydrophobicContact CB-CG2 4.28Å; V3-V26 CarbonylContact O-C 3.58Å; V3-V26 WeakPolarHBondContact O-CA 3.41Å; V3-V27 WeakPolarHBondContact O-CG2 3.24Å; V3-V27 PolarHBondContact O-N 2.96Å; V3-V69 CarbonylContact C-O 3.58Å; V3-V69 VanDerWaalsContact CA-O 3.24Å; V3-V69 WeakPolarHBondContact CA-O 3.22Å; V3-V69 HydrophobicContact CG2-CB 4.22Å; V3-V69 HydrophobicContact CG2-CG1 4.48Å
4L98.6Very high97.5Very high1 Ų115.1 Ų15.11%0.0058%0.075CC..EExtended strand (participates in β ladder)trans-98.5114.7165.1175.759.9000108.8L6 A28 V30 V62 L65 A67 V69 W70 S71L4-L6 HydrophobicContact CD1-CD2 3.92Å; L4-L6 HydrophobicContact CD2-CD2 3.92Å; L4-L6 HydrophobicContact CD2-CG 4.34Å; L4-L6 HydrophobicContact CG-CD2 3.69Å; L4-L6 HydrophobicContact CG-CG 4.06Å; L4-A28 HydrophobicContact CD1-CB 3.87Å; L4-V30 HydrophobicContact CD1-CG2 4.22Å; L4-V62 HydrophobicContact CD2-CG1 3.86Å; L4-L65 HydrophobicContact CD1-CD1 3.86Å; L4-L65 HydrophobicContact CD2-CD1 4.4Å; L4-A67 HydrophobicContact CB-CB 3.58Å; L4-V69 PolarHBondContact N-O 3.4Å; L4-W70 HydrophobicContact CB-CG 4.32Å; L4-W70 HydrophobicContact CD2-CD2 4.28Å; L4-W70 HydrophobicContact CD2-CG 4.48Å; L4-W70 WeakPolarHBondContact O-CA 3.47Å; L4-S71 PolarHBondContact O-N 3.31Å
5E98.4Very high97.6Very high2 Ų214.5 Ų14.51%0.0097%0.072CC..EExtended strand (participates in β ladder)trans-9799.7-178.8-170.8-178.5-174.700109.9M13 H14 V26 A28 A29 V30 Y40 S71E5-M13 HydrophobicContact CG-CB 4.18Å; E5-M13 WeakPolarHBondContact OE1-CB 3.23Å; E5-H14 PolarHBondContact OE1-N 3.4Å; E5-V26 HydrophobicContact CB-CG1 4.18Å; E5-A28 PolarHBondContact N-O 2.87Å; E5-A29 HydrophobicContact CB-CB 4.38Å; E5-A29 CarbonylContact O-C 3.6Å; E5-A29 WeakPolarHBondContact O-CA 3.18Å; E5-V30 PolarHBondContact O-N 3.11Å; E5-Y40 VanDerWaalsContact OE2-CE2 3.26Å; E5-Y40 WeakPolarHBondContact OE2-CE2 3.48Å; E5-Y40 PolarHBondContact OE2-OH 2.89Å; E5-S71 WeakPolarHBondContact CA-OG 3.41Å; E5-S71 WeakPolarHBondContact CG-OG 3.38Å
6L97.9Very high97.6Very high4 Ų413.6 Ų13.62%0.0217%0.068CC..EExtended strand (participates in β ladder)trans-91.4138176.7-55-177.3000109.8L4 V30 I54 W70 S71 L72 C73 V99L4-L6 HydrophobicContact CD1-CD2 3.92Å; L4-L6 HydrophobicContact CD2-CD2 3.92Å; L4-L6 HydrophobicContact CD2-CG 4.34Å; L4-L6 HydrophobicContact CG-CD2 3.69Å; L4-L6 HydrophobicContact CG-CG 4.06Å; L6-V30 HydrophobicContact CD2-CB 4.02Å; L6-V30 HydrophobicContact CD2-CG2 3.64Å; L6-I54 HydrophobicContact CB-CD1 4.31Å; L6-W70 HydrophobicContact CD1-CE3 4.31Å; L6-S71 PolarHBondContact N-O 3.46Å; L6-L72 HydrophobicContact CB-CD2 3.76Å; L6-L72 HydrophobicContact CD1-CD2 3.61Å; L6-L72 HydrophobicContact CG-CD2 3.94Å; L6-C73 PolarHBondContact O-N 2.99Å; L6-V99 HydrophobicContact CD1-CB 4.48Å; L6-V99 HydrophobicContact CD1-CG1 3.87Å; L6-V99 HydrophobicContact CD1-CG2 3.7Å
7Y96.7Very high97.6Very high28 Ų2812.8 Ų12.811%0.116%0.064CC..THydrogen-bonded Turntrans60.848.3-172.8-42.2-86.4000111.1G9 V30 I54 C73 P74 P75 S95 F96 V99Y7-G9 PolarHBondContact O-N 3.35Å; Y7-V30 WeakPolarHBondContact CA-O 3.3Å; Y7-V30 PolarHBondContact N-O 3.38Å; Y7-I54 HydrophobicContact CD1-CD1 3.61Å; Y7-I54 HydrophobicContact CD2-CD1 4.08Å; Y7-I54 HydrophobicContact CE1-CD1 3.32Å; Y7-I54 HydrophobicContact CE2-CD1 3.8Å; Y7-I54 HydrophobicContact CG-CD1 3.98Å; Y7-I54 VanDerWaalsContact CZ-CD1 3.4Å; Y7-C73 WeakPolarHBondContact CB-O 3.3Å; Y7-P74 HydrophobicContact CD2-CB 4.17Å; Y7-P74 HydrophobicContact CE2-CB 3.91Å; Y7-P75 VanDerWaalsContact CE1-CD 3.49Å; Y7-P75 HydrophobicContact CE1-CG 4.49Å; Y7-S95 WeakPolarHBondContact OH-CB 3.26Å; Y7-S95 PolarHBondContact OH-O 2.84Å; Y7-S95 VanDerWaalsContact OH-O 3.07Å; Y7-S95 PolarHBondContact OH-OG 3.39Å; Y7-F96 WeakPolarHBondContact OH-CA 3.44Å; Y7-F96 PolarHBondContact OH-N 2.97Å; Y7-V99 HydrophobicContact CE2-CG2 4.25Å
8S97.4Very high97.6Very high7 Ų719.3 Ų19.35%0.0499%0.092CC..  trans-67.4-19.9-16565.70000114.6I10 G11 V30 E31S8-I10 PolarHBondContact O-N 3.19Å; S8-G11 PolarHBondContact O-N 3.46Å; S8-V30 PolarHBondContact N-O 3.09Å; S8-E31 WeakPolarHBondContact OG-CB 3.36Å
9G96.6Very high97.5Very high20 Ų2022.7 Ų22.721%0.20611%0.108CC..THydrogen-bonded Turntrans53.7-129.4-17800000111.6Y7 G11 E31Y7-G9 PolarHBondContact O-N 3.35Å; G9-G11 VanDerWaalsContact C-N 3.31Å; G9-E31 WeakPolarHBondContact CA-OE2 3.44Å; G9-E31 PolarHBondContact N-OE2 3.5Å
10I98.2Very high97.4Very high4 Ų421.6 Ų21.62%0.02110%0.102CC..THydrogen-bonded Turntrans-90.413178.461.1178.2000113.6S8 A36 V39 F330 F334 F336 L348 L349S8-I10 PolarHBondContact O-N 3.19Å; I10-A36 HydrophobicContact CG2-CB 4.37Å; I10-V39 HydrophobicContact CB-CB 4.41Å; I10-V39 HydrophobicContact CB-CG1 3.87Å; I10-V39 HydrophobicContact CG2-CB 3.93Å; I10-V39 HydrophobicContact CG2-CG1 3.78Å; I10-V39 HydrophobicContact CG2-CG2 4.49Å; I10-F330 HydrophobicContact CD1-CE1 4.13Å; I10-F330 HydrophobicContact CD1-CZ 3.77Å; I10-F330 HydrophobicContact CG1-CE1 4.35Å; I10-F330 HydrophobicContact CG1-CZ 4.12Å; I10-F334 HydrophobicContact CB-CZ 4.22Å; I10-F334 HydrophobicContact CD1-CE1 4.45Å; I10-F334 HydrophobicContact CD1-CZ 3.9Å; I10-F334 HydrophobicContact CG1-CZ 4.28Å; I10-F336 HydrophobicContact CD1-CZ 4.48Å; I10-L348 HydrophobicContact CD1-CB 4.39Å; I10-L348 HydrophobicContact CG2-CB 3.79Å; I10-L348 HydrophobicContact CG2-CD1 3.9Å; I10-L348 HydrophobicContact CG2-CD2 3.95Å; I10-L348 HydrophobicContact CG2-CG 4.1Å; I10-L349 HydrophobicContact CD1-CD2 4.01Å
11G98.1Very high97.2Very high0 Ų024.4 Ų24.40%012%0.121CC..THydrogen-bonded Turntrans83.528177.600000114.5S8 G9 M13 H14 I15 Y40S8-G11 PolarHBondContact O-N 3.46Å; G9-G11 VanDerWaalsContact C-N 3.31Å; G11-M13 VanDerWaalsContact C-N 3.34Å; G11-M13 PolarHBondContact O-N 3.15Å; G11-H14 WeakPolarHBondContact O-CB 3.29Å; G11-H14 PolarHBondContact O-N 2.84Å; G11-I15 WeakPolarHBondContact O-CG1 3.4Å; G11-I15 PolarHBondContact O-N 3.18Å; G11-Y40 VanDerWaalsContact CA-CD2 3.43Å; G11-Y40 VanDerWaalsContact N-CD2 3.35Å
12G98.2Very high97.3Very high3 Ų323.2 Ų23.23%0.03112%0.116CC..Hα-helixtrans-62.1-38.9175.700000112.9A16 I355G12-A16 WeakPolarHBondContact O-CB 3.39Å; G12-A16 PolarHBondContact O-N 3.11Å; G12-I355 WeakPolarHBondContact O-CD1 3.39Å
13M98.1Very high97.1Very high5 Ų528.6 Ų28.63%0.02514%0.142CC..Hα-helixtrans-66.8-43.5173.7-76.6-77-167.900110.8E5 G11 I15 A16 F17 C73 I112 E114 V353 V358E5-M13 HydrophobicContact CG-CB 4.18Å; E5-M13 WeakPolarHBondContact OE1-CB 3.23Å; G11-M13 VanDerWaalsContact C-N 3.34Å; G11-M13 PolarHBondContact O-N 3.15Å; M13-I15 PolarHBondContact O-N 2.87Å; M13-A16 CarbonylContact O-C 3.57Å; M13-A16 WeakPolarHBondContact O-CB 3.28Å; M13-A16 PolarHBondContact O-N 3.06Å; M13-A16 VanDerWaalsContact O-N 3.1Å; M13-F17 WeakPolarHBondContact O-CD2 3.24Å; M13-F17 PolarHBondContact O-N 3.49Å; M13-C73 WeakPolarHBondContact CE-SG 3.43Å; M13-I112 HydrophobicContact CE-CG1 4.28Å; M13-I112 HydrophobicContact SD-CD1 4.44Å; M13-I112 HydrophobicContact SD-CG2 4.4Å; M13-E114 HydrophobicContact CE-CB 3.84Å; M13-V353 HydrophobicContact CE-CG1 4.31Å; M13-V358 HydrophobicContact CE-CG1 4.35Å; M13-V358 HydrophobicContact SD-CG1 3.45Å; M13-V358 WeakPolarHBondContact SD-CG1 3.29Å
14H98.4Very high97Very high18 Ų1831 Ų318%0.08315%0.153CC..Hα-helixtrans-54.3-51.4174.3-162.1144.8000112.3E5 G11 A16 F17 K18 V26 Y40 F44 T47E5-H14 PolarHBondContact OE1-N 3.4Å; G11-H14 WeakPolarHBondContact O-CB 3.29Å; G11-H14 PolarHBondContact O-N 2.84Å; H14-A16 VanDerWaalsContact C-N 3.28Å; H14-A16 PolarHBondContact O-N 3.49Å; H14-F17 PolarHBondContact O-N 3.32Å; H14-F17 VanDerWaalsContact O-N 3.17Å; H14-K18 PolarHBondContact O-N 3.03Å; H14-K18 VanDerWaalsContact O-N 3.09Å; H14-V26 HydrophobicContact CB-CG2 4.39Å; H14-V26 VanDerWaalsContact CE1-CG2 3.49Å; H14-V26 WeakPolarHBondContact CE1-CG2 3.4Å; H14-Y40 AromaticContact ND1-CZ 3.66Å; H14-Y40 PolarHBondContact ND1-OH 2.81Å; H14-F44 HydrophobicContact CB-CE1 4.29Å; H14-F44 HydrophobicContact CB-CE2 4Å; H14-F44 HydrophobicContact CB-CZ 3.83Å; H14-F44 AromaticContact CD2-CD1 3.95Å; H14-F44 AromaticContact CD2-CE1 3.5Å; H14-F44 AromaticContact CD2-CZ 3.93Å; H14-F44 AromaticContact CE1-CD1 3.58Å; H14-F44 AromaticContact CE1-CE1 3.94Å; H14-F44 AromaticContact CG-CD1 3.94Å; H14-F44 AromaticContact CG-CE1 3.63Å; H14-F44 AromaticContact CG-CZ 3.69Å; H14-F44 AromaticContact ND1-CD1 3.68Å; H14-F44 AromaticContact ND1-CE1 3.88Å; H14-F44 AromaticContact ND1-CG 3.79Å; H14-F44 AromaticContact NE2-CD1 3.74Å; H14-F44 AromaticContact NE2-CE1 3.72Å; H14-T47 PolarHBondContact CE1-OG1 3.41Å; H14-T47 VanDerWaalsContact CE1-OG1 3.31Å
15I98.4Very high96.9Very high6 Ų635.6 Ų35.63%0.03117%0.174CC..Hα-helixtrans-58.8-44176.8-62.5171.6000109.9G11 M13 F17 K18 E19 F44 F330 P331 F334 I355G11-I15 WeakPolarHBondContact O-CG1 3.4Å; G11-I15 PolarHBondContact O-N 3.18Å; M13-I15 PolarHBondContact O-N 2.87Å; I15-F17 VanDerWaalsContact C-N 3.31Å; I15-F17 PolarHBondContact O-N 2.64Å; I15-K18 CarbonylContact O-C 3.52Å; I15-K18 WeakPolarHBondContact O-CA 3.26Å; I15-K18 WeakPolarHBondContact O-CB 3.38Å; I15-K18 PolarHBondContact O-N 3.38Å; I15-E19 HydrophobicContact CG2-CG 3.91Å; I15-E19 WeakPolarHBondContact O-CG 3.44Å; I15-E19 PolarHBondContact O-N 2.79Å; I15-F44 HydrophobicContact CD1-CZ 4.44Å; I15-F44 HydrophobicContact CG1-CE2 4.1Å; I15-F44 HydrophobicContact CG1-CZ 3.55Å; I15-F330 HydrophobicContact CD1-CD1 3.39Å; I15-F330 HydrophobicContact CD1-CE1 3.51Å; I15-P331 HydrophobicContact CG2-CG 3.98Å; I15-F334 HydrophobicContact CD1-CB 4.21Å; I15-F334 HydrophobicContact CD1-CD2 3.56Å; I15-F334 HydrophobicContact CD1-CE2 4.22Å; I15-F334 HydrophobicContact CD1-CG 4.07Å; I15-I355 HydrophobicContact CB-CD1 4.01Å; I15-I355 HydrophobicContact CB-CG2 4.39Å; I15-I355 HydrophobicContact CG2-CD1 4.17Å; I15-I355 HydrophobicContact CG2-CG1 4.18Å; I15-I355 HydrophobicContact CG2-CG2 3.62Å
16A98.4Very high96.9Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-62.4-35.817900000113G12 M13 H14 K18 E19 S20 I355 V358 S359 I362G12-A16 WeakPolarHBondContact O-CB 3.39Å; G12-A16 PolarHBondContact O-N 3.11Å; M13-A16 CarbonylContact O-C 3.57Å; M13-A16 WeakPolarHBondContact O-CB 3.28Å; M13-A16 PolarHBondContact O-N 3.06Å; M13-A16 VanDerWaalsContact O-N 3.1Å; H14-A16 VanDerWaalsContact C-N 3.28Å; H14-A16 PolarHBondContact O-N 3.49Å; A16-K18 VanDerWaalsContact C-N 3.31Å; A16-K18 PolarHBondContact O-N 3.46Å; A16-E19 PolarHBondContact O-N 2.94Å; A16-S20 WeakPolarHBondContact O-CB 3.33Å; A16-S20 PolarHBondContact O-N 3.36Å; A16-I355 HydrophobicContact CB-CG2 4.34Å; A16-V358 HydrophobicContact CB-CB 3.65Å; A16-V358 HydrophobicContact CB-CG1 3.38Å; A16-S359 WeakPolarHBondContact CA-OG 3.23Å; A16-S359 PolarHBondContact O-OG 2.81Å; A16-I362 HydrophobicContact CB-CD1 3.86Å
17F97.6Very high97Very high1 Ų136.7 Ų36.70%0.00418%0.181CC..Hα-helixtrans-61.8-40.7170.4-82.2-74.1000111.7M1 V3 M13 H14 I15 S20 H24 V69 I112 I362M1-F17 HydrophobicContact SD-CD1 3.77Å; M1-F17 HydrophobicContact SD-CE1 3.58Å; M1-F17 VanDerWaalsContact SD-CE1 3.58Å; V3-F17 HydrophobicContact CG1-CD2 4.28Å; V3-F17 HydrophobicContact CG1-CE2 3.66Å; V3-F17 HydrophobicContact CG1-CZ 3.87Å; V3-F17 HydrophobicContact CG2-CD1 4.27Å; V3-F17 HydrophobicContact CG2-CE1 3.99Å; V3-F17 HydrophobicContact CG2-CE2 4.33Å; V3-F17 HydrophobicContact CG2-CZ 4.03Å; M13-F17 WeakPolarHBondContact O-CD2 3.24Å; M13-F17 PolarHBondContact O-N 3.49Å; H14-F17 PolarHBondContact O-N 3.32Å; H14-F17 VanDerWaalsContact O-N 3.17Å; I15-F17 VanDerWaalsContact C-N 3.31Å; I15-F17 PolarHBondContact O-N 2.64Å; F17-S20 PolarHBondContact O-N 2.95Å; F17-S20 PolarHBondContact O-OG 2.9Å; F17-H24 HydrophobicContact CB-CB 4.48Å; F17-H24 HydrophobicContact CD1-CB 4.35Å; F17-H24 PolarHBondContact O-CE1 2.87Å; F17-H24 PolarHBondContact O-ND1 2.77Å; F17-V69 HydrophobicContact CE1-CG1 4.42Å; F17-V69 HydrophobicContact CZ-CG1 4.12Å; F17-I112 HydrophobicContact CZ-CG2 4.12Å; F17-I362 HydrophobicContact CB-CD1 4.31Å; F17-I362 HydrophobicContact CD1-CD1 3.75Å; F17-I362 HydrophobicContact CD1-CG1 4.22Å; F17-I362 HydrophobicContact CD1-CG2 3.56Å; F17-I362 HydrophobicContact CD2-CD1 3.85Å; F17-I362 HydrophobicContact CE1-CD1 3.91Å; F17-I362 HydrophobicContact CE1-CG1 4.01Å; F17-I362 HydrophobicContact CE1-CG2 3.69Å; F17-I362 HydrophobicContact CE2-CD1 4Å; F17-I362 HydrophobicContact CG-CD1 3.7Å; F17-I362 HydrophobicContact CG-CG2 4.47Å; F17-I362 HydrophobicContact CZ-CD1 4.03Å; F17-I362 HydrophobicContact CZ-CG1 4.23Å
18K96.5Very high97Very high129 Ų12935.3 Ų35.356%0.56118%0.176SC*.Hα-helixtrans-63.6-48.4175.2-173.3-179.9178179.80113H14 I15 A16 S20 T21 H24H14-K18 PolarHBondContact O-N 3.03Å; H14-K18 VanDerWaalsContact O-N 3.09Å; I15-K18 CarbonylContact O-C 3.52Å; I15-K18 WeakPolarHBondContact O-CA 3.26Å; I15-K18 WeakPolarHBondContact O-CB 3.38Å; I15-K18 PolarHBondContact O-N 3.38Å; A16-K18 VanDerWaalsContact C-N 3.31Å; A16-K18 PolarHBondContact O-N 3.46Å; K18-S20 VanDerWaalsContact C-N 3.26Å; K18-S20 PolarHBondContact O-N 3.01Å; K18-T21 PolarHBondContact O-N 2.98Å; K18-H24 VanDerWaalsContact CA-CE1 3.44Å; K18-H24 WeakPolarHBondContact CA-CE1 3.39Å; K18-H24 PolarHBondContact N-CE1 3.39Å
19E97Very high97.1Very high84 Ų8435 Ų3539%0.39317%0.174SC..Hα-helixtrans-73.6-17.9-179.8-60.3-57.2135.700112.5I15 A16 T21 I355 S359I15-E19 HydrophobicContact CG2-CG 3.91Å; I15-E19 WeakPolarHBondContact O-CG 3.44Å; I15-E19 PolarHBondContact O-N 2.79Å; A16-E19 PolarHBondContact O-N 2.94Å; E19-T21 PolarHBondContact O-N 2.83Å; E19-I355 HydrophobicContact CB-CG2 4.22Å; E19-I355 HydrophobicContact CG-CG2 3.89Å; E19-S359 WeakPolarHBondContact CB-OG 3.24Å
20S95.9Very high97.1Very high0 Ų034 Ų340%016%0.164CC..THydrogen-bonded Turntrans-69.9-11.3173.877.30000114.1A16 F17 K18 V22 L192 S359 I362 Y363A16-S20 WeakPolarHBondContact O-CB 3.33Å; A16-S20 PolarHBondContact O-N 3.36Å; F17-S20 PolarHBondContact O-N 2.95Å; F17-S20 PolarHBondContact O-OG 2.9Å; K18-S20 VanDerWaalsContact C-N 3.26Å; K18-S20 PolarHBondContact O-N 3.01Å; S20-V22 PolarHBondContact O-N 2.85Å; S20-V22 WeakPolarHBondContact OG-CB 3.2Å; S20-V22 WeakPolarHBondContact OG-CG2 3.42Å; S20-V22 PolarHBondContact OG-N 3.04Å; S20-L192 WeakPolarHBondContact O-CD1 3.4Å; S20-S359 WeakPolarHBondContact CB-O 3.25Å; S20-I362 VanDerWaalsContact OG-CG2 3.27Å; S20-I362 WeakPolarHBondContact OG-CG2 3.38Å; S20-Y363 WeakPolarHBondContact O-CD2 3.39Å
21T92.8Very high97.1Very high81 Ų8135 Ų3550%0.49717%0.168SC..  trans63.4-1.2-171.973.70000115.6K18 E19 P193K18-T21 PolarHBondContact O-N 2.98Å; E19-T21 PolarHBondContact O-N 2.83Å; T21-P193 HydrophobicContact CG2-CB 4.33Å
22V93.5Very high96.9Very high17 Ų1740.5 Ų40.510%0.10320%0.196CC..  trans-72.6131.6178.2-175.80000110.3M1 S20 H24 I362 Y363 F366M1-V22 HydrophobicContact CE-CB 4.38Å; M1-V22 HydrophobicContact CE-CG1 3.24Å; M1-V22 HydrophobicContact SD-CG1 4.11Å; S20-V22 PolarHBondContact O-N 2.85Å; S20-V22 WeakPolarHBondContact OG-CB 3.2Å; S20-V22 WeakPolarHBondContact OG-CG2 3.42Å; S20-V22 PolarHBondContact OG-N 3.04Å; V22-H24 PolarHBondContact O-N 3.21Å; V22-H24 VanDerWaalsContact O-N 3.08Å; V22-H24 PolarHBondContact O-ND1 3.43Å; V22-I362 HydrophobicContact CB-CG2 4.43Å; V22-I362 HydrophobicContact CG2-CG2 4.17Å; V22-Y363 HydrophobicContact CG2-CD2 4.04Å; V22-F366 HydrophobicContact CG1-CB 4.38Å
23K94.5Very high96.8Very high191 Ų19143.4 Ų43.483%0.8321%0.211SC*.  trans-65110.4178.7-175.7179-1791780111.2M1M1-K23 WeakPolarHBondContact CG-O 3.44Å; M1-K23 PolarHBondContact N-O 2.63Å
24H95.9Very high96.7Very high51 Ų5144.7 Ų44.724%0.23623%0.226CC..  trans-136.9164-174.967.9-73.6000112.4M1 V3 F17 K18 V22M1-H24 HydrophobicContact CG-CB 3.39Å; M1-H24 CarbonylContact O-C 3.51Å; M1-H24 WeakPolarHBondContact O-CA 3.38Å; M1-H24 HydrophobicContact SD-CB 3.81Å; V3-H24 HydrophobicContact CG2-CB 4.28Å; F17-H24 HydrophobicContact CB-CB 4.48Å; F17-H24 HydrophobicContact CD1-CB 4.35Å; F17-H24 PolarHBondContact O-CE1 2.87Å; F17-H24 PolarHBondContact O-ND1 2.77Å; K18-H24 VanDerWaalsContact CA-CE1 3.44Å; K18-H24 WeakPolarHBondContact CA-CE1 3.39Å; K18-H24 PolarHBondContact N-CE1 3.39Å; V22-H24 PolarHBondContact O-N 3.21Å; V22-H24 VanDerWaalsContact O-N 3.08Å; V22-H24 PolarHBondContact O-ND1 3.43Å
25E97.7Very high96.7Very high96 Ų9645.9 Ų45.945%0.44923%0.234SC..EExtended strand (participates in β ladder)trans-142.1119.5170.2177.6-166.916800106.2M1 R2 V3 V27M1-E25 PolarHBondContact O-N 3.37Å; R2-E25 CarbonylContact C-O 3.57Å; R2-E25 WeakPolarHBondContact CA-O 3.25Å; R2-E25 IonicContact CZ-OE1 3.85Å; R2-E25 IonicContact CZ-OE2 3.3Å; R2-E25 IonicContact NH1-OE1 3.82Å; R2-E25 PolarHBondContact NH1-OE1 3.36Å; R2-E25 IonicContact NH1-OE2 3.43Å; R2-E25 PolarHBondContact NH1-OE2 3.32Å; V3-E25 PolarHBondContact N-O 3.49Å; E25-V27 HydrophobicContact CG-CG1 4.41Å; E25-V27 PolarHBondContact O-N 3.34Å
26V98.3Very high96.7Very high13 Ų1345.7 Ų45.78%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-81.1108.2171.9-178.90000108.1V3 E5 H14 T47V3-V26 HydrophobicContact CB-CG2 4.28Å; V3-V26 CarbonylContact O-C 3.58Å; V3-V26 WeakPolarHBondContact O-CA 3.41Å; E5-V26 HydrophobicContact CB-CG1 4.18Å; H14-V26 HydrophobicContact CB-CG2 4.39Å; H14-V26 VanDerWaalsContact CE1-CG2 3.49Å; H14-V26 WeakPolarHBondContact CE1-CG2 3.4Å; V26-T47 HydrophobicContact CB-CG2 4.21Å; V26-T47 HydrophobicContact CG1-CG2 3.9Å
27V98.2Very high96.7Very high16 Ų1645.9 Ų45.910%0.09724%0.235CC..EExtended strand (participates in β ladder)trans-79.1-30.3-174.3-57.70000112.3R2 V3 E25 L65 A67R2-V27 HydrophobicContact CB-CG1 3.73Å; R2-V27 HydrophobicContact CG-CG1 4.04Å; R2-V27 VanDerWaalsContact CZ-CG1 3.44Å; V3-V27 WeakPolarHBondContact O-CG2 3.24Å; V3-V27 PolarHBondContact O-N 2.96Å; E25-V27 HydrophobicContact CG-CG1 4.41Å; E25-V27 PolarHBondContact O-N 3.34Å; V27-L65 HydrophobicContact CG2-CB 4.23Å; V27-A67 HydrophobicContact CG2-CB 3.79Å
28A98.3Very high96.7Very high0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-158.4147.4172.700000110.4L4 E5 L48 L50 L65L4-A28 HydrophobicContact CD1-CB 3.87Å; E5-A28 PolarHBondContact N-O 2.87Å; A28-L48 CarbonylContact C-O 3.58Å; A28-L48 VanDerWaalsContact CA-O 3.29Å; A28-L48 WeakPolarHBondContact CA-O 3.15Å; A28-L48 HydrophobicContact CB-CD2 4.26Å; A28-L48 HydrophobicContact CB-CG 4.44Å; A28-L50 HydrophobicContact CB-CD1 4.07Å; A28-L65 HydrophobicContact CB-CD1 4.17Å; A28-L65 HydrophobicContact CB-CD2 4.37Å
29A98.4Very high96.8Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-122.4124.6173.900000109.6E5 Y40 T47 L48 T49 L50E5-A29 HydrophobicContact CB-CB 4.38Å; E5-A29 CarbonylContact O-C 3.6Å; E5-A29 WeakPolarHBondContact O-CA 3.18Å; A29-Y40 HydrophobicContact CB-CD1 4.37Å; A29-Y40 HydrophobicContact CB-CD2 4.41Å; A29-Y40 HydrophobicContact CB-CE1 3.66Å; A29-Y40 HydrophobicContact CB-CE2 3.69Å; A29-Y40 VanDerWaalsContact CB-OH 3.25Å; A29-Y40 WeakPolarHBondContact CB-OH 3.48Å; A29-T47 HydrophobicContact CB-CG2 4.34Å; A29-L48 PolarHBondContact N-O 3.08Å; A29-T49 CarbonylContact O-C 3.58Å; A29-T49 WeakPolarHBondContact O-CA 3.18Å; A29-L50 PolarHBondContact O-N 2.8Å
30V98Very high96.9Very high0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-112.9119-173.6-168.80000109.8L4 E5 L6 Y7 S8 L50 I54 F57L4-V30 HydrophobicContact CD1-CG2 4.22Å; E5-V30 PolarHBondContact O-N 3.11Å; L6-V30 HydrophobicContact CD2-CB 4.02Å; L6-V30 HydrophobicContact CD2-CG2 3.64Å; Y7-V30 WeakPolarHBondContact CA-O 3.3Å; Y7-V30 PolarHBondContact N-O 3.38Å; S8-V30 PolarHBondContact N-O 3.09Å; V30-L50 HydrophobicContact CG2-CB 4.35Å; V30-L50 HydrophobicContact CG2-CD1 4.23Å; V30-I54 HydrophobicContact CB-CG1 4.38Å; V30-I54 HydrophobicContact CG1-CD1 4.29Å; V30-I54 HydrophobicContact CG1-CG1 3.59Å; V30-F57 HydrophobicContact CB-CZ 4.32Å; V30-F57 HydrophobicContact CG1-CE1 4.27Å; V30-F57 HydrophobicContact CG1-CE2 4.2Å; V30-F57 HydrophobicContact CG1-CZ 3.65Å; V30-F57 HydrophobicContact CG2-CE1 3.55Å; V30-F57 HydrophobicContact CG2-CZ 3.63Å
31E96.6Very high97Very high24 Ų2443.6 Ų43.611%0.11223%0.227CC..  trans-145.6128.3-179.8173.753-11700110.4S8 G9 N33 A36 T37 L50 N51S8-E31 WeakPolarHBondContact OG-CB 3.36Å; G9-E31 WeakPolarHBondContact CA-OE2 3.44Å; G9-E31 PolarHBondContact N-OE2 3.5Å; E31-N33 HydrophobicContact CG-CB 4.28Å; E31-N33 WeakPolarHBondContact OE1-CB 3.48Å; E31-N33 PolarHBondContact OE1-N 3.33Å; E31-A36 HydrophobicContact CG-CB 3.77Å; E31-T37 PolarHBondContact O-OG1 2.97Å; E31-L50 PolarHBondContact N-O 2.94Å; E31-N51 VanDerWaalsContact O-CA 3.28Å; E31-N51 WeakPolarHBondContact O-CA 3.34Å; E31-N51 PolarHBondContact O-ND2 2.92Å
32I95.3Very high97.2Very high116 Ų11645.6 Ų45.660%0.59523%0.226SC*.SBendtrans-78.3-30.5-179-167.3174.4000112.3G34 N51 V53I32-G34 PolarHBondContact O-N 2.66Å; I32-N51 VanDerWaalsContact C-ND2 3.28Å; I32-N51 PolarHBondContact O-ND2 2.9Å; I32-V53 HydrophobicContact CD1-CG1 3.85Å; I32-V53 HydrophobicContact CG1-CG1 4.42Å
33N94.9Very high97.5Very high64 Ų6446.3 Ų46.334%0.34223%0.229SC..  trans-77.7114-178.2-172.1-82.1000111.1E31 V35 A36 T37E31-N33 HydrophobicContact CG-CB 4.28Å; E31-N33 WeakPolarHBondContact OE1-CB 3.48Å; E31-N33 PolarHBondContact OE1-N 3.33Å; N33-V35 VanDerWaalsContact C-N 3.32Å; N33-V35 PolarHBondContact O-N 3.14Å; N33-V35 WeakPolarHBondContact OD1-CB 3.36Å; N33-V35 PolarHBondContact OD1-N 3.43Å; N33-V35 VanDerWaalsContact OD1-N 3.15Å; N33-A36 HydrophobicContact CB-CB 3.97Å; N33-A36 PolarHBondContact O-N 3.25Å; N33-A36 PolarHBondContact OD1-N 2.9Å; N33-T37 PolarHBondContact O-N 3.45Å; N33-T37 PolarHBondContact O-OG1 3.09Å; N33-T37 VanDerWaalsContact O-OG1 3.08Å
34G97.1Very high97.7Very high32 Ų3238.5 Ų38.533%0.3320%0.195SC..Hα-helixtrans-57.6-41.4179.500000113.4I32 A36 T37 D38I32-G34 PolarHBondContact O-N 2.66Å; G34-A36 PolarHBondContact O-N 3.16Å; G34-T37 CarbonylContact O-C 3.6Å; G34-T37 WeakPolarHBondContact O-CA 3.41Å; G34-T37 VanDerWaalsContact O-CB 3.3Å; G34-T37 WeakPolarHBondContact O-CB 3.39Å; G34-T37 PolarHBondContact O-N 2.93Å; G34-T37 VanDerWaalsContact O-N 3.14Å; G34-D38 VanDerWaalsContact O-CG 3.24Å; G34-D38 PolarHBondContact O-N 3.13Å
35V97.7Very high97.7Very high42 Ų4240.7 Ų40.726%0.25521%0.214SC..Hα-helixtrans-64.7-40.4179.2172.60000112N33 D38 V39 I340 L348N33-V35 VanDerWaalsContact C-N 3.32Å; N33-V35 PolarHBondContact O-N 3.14Å; N33-V35 WeakPolarHBondContact OD1-CB 3.36Å; N33-V35 PolarHBondContact OD1-N 3.43Å; N33-V35 VanDerWaalsContact OD1-N 3.15Å; V35-D38 PolarHBondContact O-N 3.11Å; V35-V39 WeakPolarHBondContact O-CG2 3.38Å; V35-V39 PolarHBondContact O-N 3.49Å; V35-I340 HydrophobicContact CG1-CD1 3.77Å; V35-L348 HydrophobicContact CG1-CD1 4.07Å
36A98Very high97.7Very high3 Ų344 Ų443%0.02524%0.235CC..Hα-helixtrans-66.6-39.7173.800000111.5I10 E31 N33 G34 D38 V39 Y40 L348I10-A36 HydrophobicContact CG2-CB 4.37Å; E31-A36 HydrophobicContact CG-CB 3.77Å; N33-A36 HydrophobicContact CB-CB 3.97Å; N33-A36 PolarHBondContact O-N 3.25Å; N33-A36 PolarHBondContact OD1-N 2.9Å; G34-A36 PolarHBondContact O-N 3.16Å; A36-D38 VanDerWaalsContact C-N 3.34Å; A36-D38 PolarHBondContact O-N 3.47Å; A36-V39 PolarHBondContact O-N 3.31Å; A36-Y40 WeakPolarHBondContact O-CB 3.28Å; A36-Y40 PolarHBondContact O-N 3.35Å; A36-L348 HydrophobicContact CB-CD2 3.75Å
37T97.9Very high97.7Very high3 Ų344.6 Ų44.62%0.01824%0.239CC..Hα-helixtrans-59.7-41.6174.3-64.10000112.1E31 N33 G34 Y40 K41 T49 N51E31-T37 PolarHBondContact O-OG1 2.97Å; N33-T37 PolarHBondContact O-N 3.45Å; N33-T37 PolarHBondContact O-OG1 3.09Å; N33-T37 VanDerWaalsContact O-OG1 3.08Å; G34-T37 CarbonylContact O-C 3.6Å; G34-T37 WeakPolarHBondContact O-CA 3.41Å; G34-T37 VanDerWaalsContact O-CB 3.3Å; G34-T37 WeakPolarHBondContact O-CB 3.39Å; G34-T37 PolarHBondContact O-N 2.93Å; G34-T37 VanDerWaalsContact O-N 3.14Å; T37-Y40 WeakPolarHBondContact O-CB 3.37Å; T37-Y40 PolarHBondContact O-N 2.95Å; T37-K41 HydrophobicContact CG2-CD 4.04Å; T37-K41 HydrophobicContact CG2-CG 4.36Å; T37-K41 WeakPolarHBondContact O-CG 3.47Å; T37-K41 PolarHBondContact O-N 3.43Å; T37-T49 HydrophobicContact CG2-CG2 3.68Å; T37-N51 HydrophobicContact CG2-CB 4.25Å; T37-N51 PolarHBondContact OG1-ND2 2.86Å
38D98.1Very high97.7Very high69 Ų6948.1 Ų48.137%0.36926%0.256SS..Hα-helixtrans-63.4-42.9178.5-66.3-24.7000111.4G34 V35 A36 Y42G34-D38 VanDerWaalsContact O-CG 3.24Å; G34-D38 PolarHBondContact O-N 3.13Å; V35-D38 PolarHBondContact O-N 3.11Å; A36-D38 VanDerWaalsContact C-N 3.34Å; A36-D38 PolarHBondContact O-N 3.47Å; D38-Y42 WeakPolarHBondContact O-CB 3.21Å; D38-Y42 PolarHBondContact O-N 2.56Å
39V98.6Very high97.6Very high0 Ų048.9 Ų48.90%026%0.261CS..Hα-helixtrans-65.1-40.9174.5178.70000111.2I10 V35 A36 Y42 N43 F334 F336 I340 L348I10-V39 HydrophobicContact CB-CB 4.41Å; I10-V39 HydrophobicContact CB-CG1 3.87Å; I10-V39 HydrophobicContact CG2-CB 3.93Å; I10-V39 HydrophobicContact CG2-CG1 3.78Å; I10-V39 HydrophobicContact CG2-CG2 4.49Å; V35-V39 WeakPolarHBondContact O-CG2 3.38Å; V35-V39 PolarHBondContact O-N 3.49Å; A36-V39 PolarHBondContact O-N 3.31Å; V39-Y42 PolarHBondContact O-N 3.08Å; V39-N43 PolarHBondContact O-N 3.06Å; V39-N43 PolarHBondContact O-ND2 2.77Å; V39-F334 HydrophobicContact CG1-CE2 4.19Å; V39-F334 HydrophobicContact CG1-CZ 3.83Å; V39-F336 HydrophobicContact CB-CD1 4.43Å; V39-F336 HydrophobicContact CG1-CD1 3.75Å; V39-F336 HydrophobicContact CG1-CE1 3.93Å; V39-F336 HydrophobicContact CG2-CD1 3.71Å; V39-F336 HydrophobicContact CG2-CE1 4.26Å; V39-I340 HydrophobicContact CG2-CG1 4.11Å; V39-L348 HydrophobicContact CG2-CD1 3.81Å
40Y98.6Very high97.6Very high0 Ų049.6 Ų49.60%027%0.265CS..Hα-helixtrans-59.5-53.6176.5-166.4-69.4000110.8E5 G11 H14 A29 A36 T37 Y42 N43 F44 T47 T49E5-Y40 VanDerWaalsContact OE2-CE2 3.26Å; E5-Y40 WeakPolarHBondContact OE2-CE2 3.48Å; E5-Y40 PolarHBondContact OE2-OH 2.89Å; G11-Y40 VanDerWaalsContact CA-CD2 3.43Å; G11-Y40 VanDerWaalsContact N-CD2 3.35Å; H14-Y40 AromaticContact ND1-CZ 3.66Å; H14-Y40 PolarHBondContact ND1-OH 2.81Å; A29-Y40 HydrophobicContact CB-CD1 4.37Å; A29-Y40 HydrophobicContact CB-CD2 4.41Å; A29-Y40 HydrophobicContact CB-CE1 3.66Å; A29-Y40 HydrophobicContact CB-CE2 3.69Å; A29-Y40 VanDerWaalsContact CB-OH 3.25Å; A29-Y40 WeakPolarHBondContact CB-OH 3.48Å; A36-Y40 WeakPolarHBondContact O-CB 3.28Å; A36-Y40 PolarHBondContact O-N 3.35Å; T37-Y40 WeakPolarHBondContact O-CB 3.37Å; T37-Y40 PolarHBondContact O-N 2.95Å; Y40-Y42 VanDerWaalsContact C-N 3.26Å; Y40-Y42 PolarHBondContact O-N 3.13Å; Y40-N43 PolarHBondContact O-N 2.66Å; Y40-N43 VanDerWaalsContact O-N 3.14Å; Y40-F44 HydrophobicContact CD1-CB 4.01Å; Y40-F44 HydrophobicContact CD1-CD2 4.06Å; Y40-F44 HydrophobicContact CD1-CG 4.48Å; Y40-F44 HydrophobicContact CE1-CB 3.73Å; Y40-F44 AromaticContact CE1-CD2 3.88Å; Y40-F44 HydrophobicContact CE1-CD2 3.88Å; Y40-F44 HydrophobicContact CE1-CG 4.09Å; Y40-F44 HydrophobicContact CG-CD2 4.41Å; Y40-F44 WeakPolarHBondContact O-CB 3.37Å; Y40-F44 PolarHBondContact O-N 3.44Å; Y40-T47 HydrophobicContact CE1-CG2 3.86Å; Y40-T49 HydrophobicContact CD1-CG2 4.16Å; Y40-T49 HydrophobicContact CG-CG2 4.38Å
41K98.2Very high97.5Very high98 Ų9853.4 Ų53.443%0.42629%0.285SS..Hα-helixtrans-60.3-36.1-180-74.2176.1178.3175.70112.5T37 N43 F44 P45 T49T37-K41 HydrophobicContact CG2-CD 4.04Å; T37-K41 HydrophobicContact CG2-CG 4.36Å; T37-K41 WeakPolarHBondContact O-CG 3.47Å; T37-K41 PolarHBondContact O-N 3.43Å; K41-N43 VanDerWaalsContact C-N 3.34Å; K41-N43 PolarHBondContact O-N 2.89Å; K41-F44 CarbonylContact O-C 3.54Å; K41-F44 PolarHBondContact O-N 2.79Å; K41-P45 WeakPolarHBondContact O-CA 3.39Å; K41-P45 VanDerWaalsContact O-N 3.1Å; K41-T49 HydrophobicContact CG-CG2 4.34Å
42Y98.4Very high97.4Very high123 Ų12358.5 Ų58.548%0.48230%0.303SS..Hα-helixtrans-61-42.8176.4-179.4-93.9000112.3D38 V39 Y40 D335 P337D38-Y42 WeakPolarHBondContact O-CB 3.21Å; D38-Y42 PolarHBondContact O-N 2.56Å; V39-Y42 PolarHBondContact O-N 3.08Å; Y40-Y42 VanDerWaalsContact C-N 3.26Å; Y40-Y42 PolarHBondContact O-N 3.13Å; Y42-D335 WeakPolarHBondContact CD1-O 3.35Å; Y42-D335 HydrophobicContact CE1-CB 4.08Å; Y42-P337 HydrophobicContact CD1-CG 4.49Å; Y42-P337 HydrophobicContact CD2-CB 4.33Å; Y42-P337 HydrophobicContact CD2-CG 3.98Å; Y42-P337 HydrophobicContact CG-CG 3.82Å
43N98.4Very high97.3Very high32 Ų3256.4 Ų56.417%0.17130%0.296CS..Hα-helixtrans-84.8-24.2-180-69.2-82.8000113.2V39 Y40 K41 F334 D335V39-N43 PolarHBondContact O-N 3.06Å; V39-N43 PolarHBondContact O-ND2 2.77Å; Y40-N43 PolarHBondContact O-N 2.66Å; Y40-N43 VanDerWaalsContact O-N 3.14Å; K41-N43 VanDerWaalsContact C-N 3.34Å; K41-N43 PolarHBondContact O-N 2.89Å; N43-F334 HydrophobicContact CB-CD2 4.18Å; N43-F334 HydrophobicContact CB-CE2 4.38Å; N43-F334 VanDerWaalsContact ND2-CE2 3.3Å; N43-F334 WeakPolarHBondContact ND2-CE2 3.31Å; N43-F334 WeakPolarHBondContact OD1-CA 3.12Å; N43-F334 VanDerWaalsContact OD1-CD2 3.27Å; N43-F334 WeakPolarHBondContact OD1-CD2 3.28Å; N43-D335 PolarHBondContact ND2-O 2.61Å; N43-D335 PolarHBondContact OD1-N 3.42Å; N43-D335 PolarHBondContact OD1-O 2.86Å
44F98.1Very high97.3Very high27 Ų2753.9 Ų53.912%0.11828%0.282CS..  trans-133.863.1-174.9-58.7-72.3000111.9H14 I15 Y40 K41 N46 T47H14-F44 HydrophobicContact CB-CE1 4.29Å; H14-F44 HydrophobicContact CB-CE2 4Å; H14-F44 HydrophobicContact CB-CZ 3.83Å; H14-F44 AromaticContact CD2-CD1 3.95Å; H14-F44 AromaticContact CD2-CE1 3.5Å; H14-F44 AromaticContact CD2-CZ 3.93Å; H14-F44 AromaticContact CE1-CD1 3.58Å; H14-F44 AromaticContact CE1-CE1 3.94Å; H14-F44 AromaticContact CG-CD1 3.94Å; H14-F44 AromaticContact CG-CE1 3.63Å; H14-F44 AromaticContact CG-CZ 3.69Å; H14-F44 AromaticContact ND1-CD1 3.68Å; H14-F44 AromaticContact ND1-CE1 3.88Å; H14-F44 AromaticContact ND1-CG 3.79Å; H14-F44 AromaticContact NE2-CD1 3.74Å; H14-F44 AromaticContact NE2-CE1 3.72Å; I15-F44 HydrophobicContact CD1-CZ 4.44Å; I15-F44 HydrophobicContact CG1-CE2 4.1Å; I15-F44 HydrophobicContact CG1-CZ 3.55Å; Y40-F44 HydrophobicContact CD1-CB 4.01Å; Y40-F44 HydrophobicContact CD1-CD2 4.06Å; Y40-F44 HydrophobicContact CD1-CG 4.48Å; Y40-F44 HydrophobicContact CE1-CB 3.73Å; Y40-F44 AromaticContact CE1-CD2 3.88Å; Y40-F44 HydrophobicContact CE1-CD2 3.88Å; Y40-F44 HydrophobicContact CE1-CG 4.09Å; Y40-F44 HydrophobicContact CG-CD2 4.41Å; Y40-F44 WeakPolarHBondContact O-CB 3.37Å; Y40-F44 PolarHBondContact O-N 3.44Å; K41-F44 CarbonylContact O-C 3.54Å; K41-F44 PolarHBondContact O-N 2.79Å; F44-N46 PolarHBondContact O-N 3.43Å; F44-N46 VanDerWaalsContact O-N 3.13Å; F44-T47 PolarHBondContact O-N 3.46Å; F44-T47 VanDerWaalsContact O-N 3.11Å
45P97.5Very high97.1Very high96 Ų9656.1 Ų56.162%0.62328%0.284SS*.THydrogen-bonded Turntrans-64.5-22.6-171.724.9-35.5000114K41K41-P45 WeakPolarHBondContact O-CA 3.39Å; K41-P45 VanDerWaalsContact O-N 3.1Å
46N97.3Very high96.9Very high167 Ų16757.4 Ų57.489%0.89330%0.295SS*.THydrogen-bonded Turntrans-92.3-2-178.9-60.6-34.9000113.5F44F44-N46 PolarHBondContact O-N 3.43Å; F44-N46 VanDerWaalsContact O-N 3.13Å
47T98Very high96.8Very high25 Ų2557.5 Ų57.515%0.15330%0.295CS..SBendtrans-90.8136.2-179.9-56.80000110H14 V26 A29 Y40 F44 T49H14-T47 PolarHBondContact CE1-OG1 3.41Å; H14-T47 VanDerWaalsContact CE1-OG1 3.31Å; V26-T47 HydrophobicContact CB-CG2 4.21Å; V26-T47 HydrophobicContact CG1-CG2 3.9Å; A29-T47 HydrophobicContact CB-CG2 4.34Å; Y40-T47 HydrophobicContact CE1-CG2 3.86Å; F44-T47 PolarHBondContact O-N 3.46Å; F44-T47 VanDerWaalsContact O-N 3.11Å; T47-T49 PolarHBondContact O-N 3.14Å; T47-T49 PolarHBondContact O-OG1 3.29Å
48L97.8Very high96.7Very high89 Ų8960 Ų6047%0.46631%0.312SS..  trans-66.6100174176.761.2000110.4A28 A29 L50A28-L48 CarbonylContact C-O 3.58Å; A28-L48 VanDerWaalsContact CA-O 3.29Å; A28-L48 WeakPolarHBondContact CA-O 3.15Å; A28-L48 HydrophobicContact CB-CD2 4.26Å; A28-L48 HydrophobicContact CB-CG 4.44Å; A29-L48 PolarHBondContact N-O 3.08Å; L48-L50 HydrophobicContact CD1-CD2 3.91Å; L48-L50 HydrophobicContact CD2-CD2 4.29Å; L48-L50 HydrophobicContact CG-CD2 3.95Å; L48-L50 HydrophobicContact CG-CG 4.21Å
49T97.7Very high96.7Very high17 Ų1758.7 Ų58.710%0.10431%0.308CS..EExtended strand (participates in β ladder)trans-96118176.2-40.10000111.4A29 T37 Y40 K41 T47A29-T49 CarbonylContact O-C 3.58Å; A29-T49 WeakPolarHBondContact O-CA 3.18Å; T37-T49 HydrophobicContact CG2-CG2 3.68Å; Y40-T49 HydrophobicContact CD1-CG2 4.16Å; Y40-T49 HydrophobicContact CG-CG2 4.38Å; K41-T49 HydrophobicContact CG-CG2 4.34Å; T47-T49 PolarHBondContact O-N 3.14Å; T47-T49 PolarHBondContact O-OG1 3.29Å
50L97.3Very high96.7Very high14 Ų1465.2 Ų65.27%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-102.8101.7-177.7-58.9176.8000110A28 A29 V30 E31 L48 R52 F57 Y61A28-L50 HydrophobicContact CB-CD1 4.07Å; A29-L50 PolarHBondContact O-N 2.8Å; V30-L50 HydrophobicContact CG2-CB 4.35Å; V30-L50 HydrophobicContact CG2-CD1 4.23Å; E31-L50 PolarHBondContact N-O 2.94Å; L48-L50 HydrophobicContact CD1-CD2 3.91Å; L48-L50 HydrophobicContact CD2-CD2 4.29Å; L48-L50 HydrophobicContact CG-CD2 3.95Å; L48-L50 HydrophobicContact CG-CG 4.21Å; L50-R52 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 2.86Å; L50-F57 HydrophobicContact CB-CZ 4.35Å; L50-F57 HydrophobicContact CD1-CE1 3.99Å; L50-F57 HydrophobicContact CD1-CZ 3.76Å; L50-Y61 HydrophobicContact CD1-CE1 4.31Å; L50-Y61 WeakPolarHBondContact CD1-OH 3.48Å
51N96.4Very high96.6Very high81 Ų8168.2 Ų68.243%0.43335%0.354SS..  trans-81.576171.1-172.1-114.9000110.7E31 I32 T37E31-N51 VanDerWaalsContact O-CA 3.28Å; E31-N51 WeakPolarHBondContact O-CA 3.34Å; E31-N51 PolarHBondContact O-ND2 2.92Å; I32-N51 VanDerWaalsContact C-ND2 3.28Å; I32-N51 PolarHBondContact O-ND2 2.9Å; T37-N51 HydrophobicContact CG2-CB 4.25Å; T37-N51 PolarHBondContact OG1-ND2 2.86Å
52R94Very high96.6Very high131 Ų13163.7 Ų63.749%0.49434%0.335SS..SBendtrans-139.5156.2-174.8-66.6-174-176.71801.6110.9L50 F57L50-R52 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 2.86Å; R52-F57 HydrophobicContact CB-CE2 3.89Å
53V93.4Very high96.5Very high72 Ų7261.7 Ų61.744%0.43634%0.338SS..  trans-68.9132168-61.60000109.2I32 E55 S56I32-V53 HydrophobicContact CD1-CG1 3.85Å; I32-V53 HydrophobicContact CG1-CG1 4.42Å; V53-E55 PolarHBondContact O-N 2.96Å; V53-S56 WeakPolarHBondContact O-CB 3.23Å; V53-S56 PolarHBondContact O-N 2.9Å; V53-S56 VanDerWaalsContact O-N 3.11Å; V53-S56 PolarHBondContact O-OG 2.78Å
54I93.9Very high96.4Very high10 Ų1064.2 Ų64.25%0.05136%0.358CS..G310 helixtrans-66.3-30.7-175.4-74.9164.2000110.9L6 Y7 V30 S56 F57 H98 V99L6-I54 HydrophobicContact CB-CD1 4.31Å; Y7-I54 HydrophobicContact CD1-CD1 3.61Å; Y7-I54 HydrophobicContact CD2-CD1 4.08Å; Y7-I54 HydrophobicContact CE1-CD1 3.32Å; Y7-I54 HydrophobicContact CE2-CD1 3.8Å; Y7-I54 HydrophobicContact CG-CD1 3.98Å; Y7-I54 VanDerWaalsContact CZ-CD1 3.4Å; V30-I54 HydrophobicContact CB-CG1 4.38Å; V30-I54 HydrophobicContact CG1-CD1 4.29Å; V30-I54 HydrophobicContact CG1-CG1 3.59Å; I54-S56 PolarHBondContact O-N 2.92Å; I54-F57 VanDerWaalsContact O-CB 3.3Å; I54-F57 WeakPolarHBondContact O-CB 3.48Å; I54-F57 PolarHBondContact O-N 2.9Å; I54-H98 PolarHBondContact O-CD2 3.17Å; I54-H98 PolarHBondContact O-NE2 2.8Å; I54-V99 HydrophobicContact CG2-CG2 3.5Å; I54-V99 VanDerWaalsContact CG2-CG2 3.5Å
55E93.1Very high96.4Very high79 Ų7963.9 Ų63.937%0.36936%0.358SS..G310 helixtrans-60.5-16.2175.2-62.894.2148.400113.5V53 F57 S94 S95 H98V53-E55 PolarHBondContact O-N 2.96Å; E55-F57 VanDerWaalsContact C-N 3.26Å; E55-F57 PolarHBondContact O-N 3.32Å; E55-S94 PolarHBondContact OE1-OG 3.03Å; E55-S95 VanDerWaalsContact OE1-CA 3.25Å; E55-S95 WeakPolarHBondContact OE1-CA 3.37Å; E55-S95 VanDerWaalsContact OE1-CB 3.23Å; E55-S95 WeakPolarHBondContact OE1-CB 3.45Å; E55-S95 PolarHBondContact OE1-N 3.1Å; E55-S95 VanDerWaalsContact OE1-N 3.09Å; E55-H98 HydrophobicContact CG-CB 4.39Å
56S94.2Very high96.3Very high70 Ų7064.7 Ų64.749%0.4936%0.357SS..G310 helixtrans-79-5.7174.567.90000114.1V53 I54 S58V53-S56 WeakPolarHBondContact O-CB 3.23Å; V53-S56 PolarHBondContact O-N 2.9Å; V53-S56 VanDerWaalsContact O-N 3.11Å; V53-S56 PolarHBondContact O-OG 2.78Å; I54-S56 PolarHBondContact O-N 2.92Å; S56-S58 PolarHBondContact O-N 3.22Å
57F95.5Very high96.4Very high4 Ų457.7 Ų57.72%0.01832%0.322CS..  trans-89.5112.6-171.5-74-141.1000109.4V30 L50 R52 I54 E55 Y61 V62 H98 L102V30-F57 HydrophobicContact CB-CZ 4.32Å; V30-F57 HydrophobicContact CG1-CE1 4.27Å; V30-F57 HydrophobicContact CG1-CE2 4.2Å; V30-F57 HydrophobicContact CG1-CZ 3.65Å; V30-F57 HydrophobicContact CG2-CE1 3.55Å; V30-F57 HydrophobicContact CG2-CZ 3.63Å; L50-F57 HydrophobicContact CB-CZ 4.35Å; L50-F57 HydrophobicContact CD1-CE1 3.99Å; L50-F57 HydrophobicContact CD1-CZ 3.76Å; R52-F57 HydrophobicContact CB-CE2 3.89Å; I54-F57 VanDerWaalsContact O-CB 3.3Å; I54-F57 WeakPolarHBondContact O-CB 3.48Å; I54-F57 PolarHBondContact O-N 2.9Å; E55-F57 VanDerWaalsContact C-N 3.26Å; E55-F57 PolarHBondContact O-N 3.32Å; F57-Y61 HydrophobicContact CB-CD1 4.31Å; F57-Y61 AromaticContact CD1-CD1 3.77Å; F57-Y61 HydrophobicContact CD1-CD1 3.77Å; F57-Y61 AromaticContact CD1-CE1 3.68Å; F57-Y61 HydrophobicContact CD1-CE1 3.68Å; F57-Y61 HydrophobicContact CE1-CD1 4.21Å; F57-Y61 AromaticContact CE1-CE1 3.63Å; F57-Y61 HydrophobicContact CE1-CE1 3.63Å; F57-Y61 HydrophobicContact CE2-CE1 4.47Å; F57-Y61 AromaticContact CG-CD1 3.98Å; F57-Y61 HydrophobicContact CG-CD1 3.98Å; F57-Y61 HydrophobicContact CG-CE1 4.13Å; F57-Y61 HydrophobicContact CZ-CE1 4.04Å; F57-V62 HydrophobicContact CB-CG2 3.84Å; F57-V62 HydrophobicContact CD1-CG2 3.97Å; F57-V62 HydrophobicContact CG-CG2 4.43Å; F57-H98 PolarHBondContact O-CE1 3.36Å; F57-H98 PolarHBondContact O-NE2 3.39Å; F57-L102 HydrophobicContact CB-CD1 4.46Å
58S96.9Very high96.3Very high55 Ų5559.3 Ų59.339%0.38533%0.33SS..  trans-77158.4171.8670000111.6S56 D60 Y61 V62S56-S58 PolarHBondContact O-N 3.22Å; S58-D60 VanDerWaalsContact C-N 3.27Å; S58-D60 PolarHBondContact O-N 3.09Å; S58-Y61 PolarHBondContact O-N 2.95Å; S58-Y61 WeakPolarHBondContact OG-CB 3.38Å; S58-Y61 PolarHBondContact OG-N 3.46Å; S58-V62 WeakPolarHBondContact O-CG2 3.4Å; S58-V62 PolarHBondContact O-N 2.91Å
59P97.3Very high96.3Very high43 Ų4355 Ų5528%0.27931%0.307SS..Hα-helixtrans-52.7-43.5172.2-26.934.2000113Y61 V62 C63 L102 I105 L106P59-Y61 PolarHBondContact O-N 2.81Å; P59-V62 PolarHBondContact O-N 3.22Å; P59-C63 VanDerWaalsContact O-CB 3.23Å; P59-C63 WeakPolarHBondContact O-CB 3.49Å; P59-C63 PolarHBondContact O-N 3.2Å; P59-L102 HydrophobicContact CB-CD2 4.35Å; P59-L102 HydrophobicContact CG-CD2 3.97Å; P59-I105 HydrophobicContact CB-CG2 4.15Å; P59-I105 HydrophobicContact CG-CD1 3.87Å; P59-I105 HydrophobicContact CG-CG2 4.5Å; P59-L106 HydrophobicContact CB-CD2 4.35Å
60D97.8Very high96.3Very high136 Ų13654.4 Ų54.473%0.72730%0.303SS*.Hα-helixtrans-62.3-42.5179-65.2-26.1000112.3S58 C63 S64S58-D60 VanDerWaalsContact C-N 3.27Å; S58-D60 PolarHBondContact O-N 3.09Å; D60-C63 PolarHBondContact O-N 3.35Å; D60-S64 PolarHBondContact O-N 3.34Å
61Y97.6Very high96.3Very high63 Ų6353.8 Ų53.825%0.24730%0.3CS..Hα-helixtrans-63.1-47.4177177.8-101000111.1L50 F57 S58 P59 C63 S64 L65L50-Y61 HydrophobicContact CD1-CE1 4.31Å; L50-Y61 WeakPolarHBondContact CD1-OH 3.48Å; F57-Y61 HydrophobicContact CB-CD1 4.31Å; F57-Y61 AromaticContact CD1-CD1 3.77Å; F57-Y61 HydrophobicContact CD1-CD1 3.77Å; F57-Y61 AromaticContact CD1-CE1 3.68Å; F57-Y61 HydrophobicContact CD1-CE1 3.68Å; F57-Y61 HydrophobicContact CE1-CD1 4.21Å; F57-Y61 AromaticContact CE1-CE1 3.63Å; F57-Y61 HydrophobicContact CE1-CE1 3.63Å; F57-Y61 HydrophobicContact CE2-CE1 4.47Å; F57-Y61 AromaticContact CG-CD1 3.98Å; F57-Y61 HydrophobicContact CG-CD1 3.98Å; F57-Y61 HydrophobicContact CG-CE1 4.13Å; F57-Y61 HydrophobicContact CZ-CE1 4.04Å; S58-Y61 PolarHBondContact O-N 2.95Å; S58-Y61 WeakPolarHBondContact OG-CB 3.38Å; S58-Y61 PolarHBondContact OG-N 3.46Å; P59-Y61 PolarHBondContact O-N 2.81Å; Y61-C63 VanDerWaalsContact C-N 3.33Å; Y61-C63 PolarHBondContact O-N 2.75Å; Y61-S64 WeakPolarHBondContact O-CB 3.38Å; Y61-S64 PolarHBondContact O-N 2.94Å; Y61-S64 PolarHBondContact O-OG 3.07Å; Y61-L65 HydrophobicContact CE1-CD1 4.29Å; Y61-L65 PolarHBondContact O-N 2.94Å
62V97.2Very high96.3Very high4 Ų449.9 Ų49.92%0.02428%0.279CS..Hα-helixtrans-64.8-40179.31790000111.2L4 F57 S58 P59 S64 L65 W70 L102 L106L4-V62 HydrophobicContact CD2-CG1 3.86Å; F57-V62 HydrophobicContact CB-CG2 3.84Å; F57-V62 HydrophobicContact CD1-CG2 3.97Å; F57-V62 HydrophobicContact CG-CG2 4.43Å; S58-V62 WeakPolarHBondContact O-CG2 3.4Å; S58-V62 PolarHBondContact O-N 2.91Å; P59-V62 PolarHBondContact O-N 3.22Å; V62-S64 VanDerWaalsContact C-N 3.29Å; V62-S64 PolarHBondContact O-N 2.99Å; V62-L65 WeakPolarHBondContact O-CB 3.43Å; V62-L65 PolarHBondContact O-N 3.27Å; V62-W70 HydrophobicContact CG1-CH2 3.81Å; V62-W70 HydrophobicContact CG1-CZ2 3.43Å; V62-W70 VanDerWaalsContact CG1-CZ2 3.43Å; V62-L102 HydrophobicContact CG2-CD1 4.08Å; V62-L102 HydrophobicContact CG2-CD2 4.23Å; V62-L106 HydrophobicContact CB-CD1 3.56Å; V62-L106 HydrophobicContact CG1-CD1 3.47Å; V62-L106 VanDerWaalsContact CG1-CD1 3.47Å
63C96.6Very high96.4Very high80 Ų8045 Ų4554%0.54127%0.265SS..Hα-helixtrans-58.8-41174.4-169.90000111.4P59 D60 Y61 L65 N66 L106P59-C63 VanDerWaalsContact O-CB 3.23Å; P59-C63 WeakPolarHBondContact O-CB 3.49Å; P59-C63 PolarHBondContact O-N 3.2Å; D60-C63 PolarHBondContact O-N 3.35Å; Y61-C63 VanDerWaalsContact C-N 3.33Å; Y61-C63 PolarHBondContact O-N 2.75Å; C63-L65 PolarHBondContact O-N 3.44Å; C63-L65 VanDerWaalsContact O-N 3.15Å; C63-N66 PolarHBondContact O-N 3.06Å; C63-L106 HydrophobicContact CB-CD2 4.05Å
64S97.5Very high96.4Very high86 Ų8642 Ų4260%0.60125%0.246SC*.Hα-helixtrans-61.5-22.9178.581.50000114.4D60 Y61 V62 N66D60-S64 PolarHBondContact O-N 3.34Å; Y61-S64 WeakPolarHBondContact O-CB 3.38Å; Y61-S64 PolarHBondContact O-N 2.94Å; Y61-S64 PolarHBondContact O-OG 3.07Å; V62-S64 VanDerWaalsContact C-N 3.29Å; V62-S64 PolarHBondContact O-N 2.99Å; S64-N66 PolarHBondContact O-N 3.48Å
65L97.1Very high96Very high20 Ų2045 Ų4511%0.10527%0.267CS..THydrogen-bonded Turntrans-72.4-17.9175.8-59.5175.2000112.6R2 L4 V27 A28 Y61 V62 C63 A67R2-L65 PolarHBondContact NH2-O 3.18Å; L4-L65 HydrophobicContact CD1-CD1 3.86Å; L4-L65 HydrophobicContact CD2-CD1 4.4Å; V27-L65 HydrophobicContact CG2-CB 4.23Å; A28-L65 HydrophobicContact CB-CD1 4.17Å; A28-L65 HydrophobicContact CB-CD2 4.37Å; Y61-L65 HydrophobicContact CE1-CD1 4.29Å; Y61-L65 PolarHBondContact O-N 2.94Å; V62-L65 WeakPolarHBondContact O-CB 3.43Å; V62-L65 PolarHBondContact O-N 3.27Å; C63-L65 PolarHBondContact O-N 3.44Å; C63-L65 VanDerWaalsContact O-N 3.15Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.91Å
66N96.8Very high95Very high113 Ų11343.9 Ų43.960%0.60427%0.267SS*.THydrogen-bonded Turntrans53.246.1179.2-16723.7000112.4R2 C63 S64R2-N66 WeakPolarHBondContact CB-O 3.41Å; R2-N66 VanDerWaalsContact CD-O 3.29Å; R2-N66 WeakPolarHBondContact CD-O 3.43Å; R2-N66 PolarHBondContact NE-O 3.45Å; C63-N66 PolarHBondContact O-N 3.06Å; S64-N66 PolarHBondContact O-N 3.48Å
67A97.7Very high93.4Very high19 Ų1944 Ų4416%0.15726%0.26CS..  trans-93136.4176.300000110.8R2 L4 V27 L65R2-A67 CarbonylContact O-C 3.56Å; R2-A67 WeakPolarHBondContact O-CA 3.47Å; L4-A67 HydrophobicContact CB-CB 3.58Å; V27-A67 HydrophobicContact CG2-CB 3.79Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.91Å
68N95.8Very high91.2Very high59 Ų5948 Ų4832%0.31629%0.287SS..SBendtrans-112.7-12.817860.119.4000114.2R2 A109 G110R2-N68 PolarHBondContact N-OD1 2.96Å; R2-N68 PolarHBondContact O-N 3.25Å; R2-N68 PolarHBondContact O-OD1 3.43Å; R2-N68 VanDerWaalsContact O-OD1 3.13Å; N68-A109 HydrophobicContact CB-CB 4.36Å; N68-A109 WeakPolarHBondContact O-CA 3.35Å; N68-A109 WeakPolarHBondContact O-CB 3.46Å; N68-A109 PolarHBondContact O-N 3.47Å; N68-G110 PolarHBondContact O-N 2.85Å
69V97.6Very high88.9Confident0 Ų050 Ų500%029%0.288CS..EExtended strand (participates in β ladder)trans-123.3130.8171.21760000108.9M1 R2 V3 L4 F17 G110 W169 F366M1-V69 HydrophobicContact CB-CG2 4.08Å; M1-V69 HydrophobicContact SD-CG2 4.38Å; R2-V69 PolarHBondContact O-N 3.21Å; R2-V69 VanDerWaalsContact O-N 3.08Å; V3-V69 CarbonylContact C-O 3.58Å; V3-V69 VanDerWaalsContact CA-O 3.24Å; V3-V69 WeakPolarHBondContact CA-O 3.22Å; V3-V69 HydrophobicContact CG2-CB 4.22Å; V3-V69 HydrophobicContact CG2-CG1 4.48Å; L4-V69 PolarHBondContact N-O 3.4Å; F17-V69 HydrophobicContact CE1-CG1 4.42Å; F17-V69 HydrophobicContact CZ-CG1 4.12Å; V69-G110 CarbonylContact C-O 3.58Å; V69-G110 VanDerWaalsContact CA-O 3.28Å; V69-G110 WeakPolarHBondContact CA-O 3.38Å; V69-W169 HydrophobicContact CG2-CH2 3.45Å; V69-W169 VanDerWaalsContact CG2-CH2 3.45Å; V69-W169 HydrophobicContact CG2-CZ2 3.95Å; V69-W169 HydrophobicContact CG2-CZ3 4.38Å; V69-F366 HydrophobicContact CG1-CE2 4.11Å; V69-F366 HydrophobicContact CG1-CZ 4.07Å; V69-F366 HydrophobicContact CG2-CE1 4.45Å
70W98.4Very high86Confident4 Ų452 Ų522%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-112.1128.3175.9-659.8000109.7L4 L6 V62 L72 L102 I103 L106 P108 G110 I111 I112L4-W70 HydrophobicContact CB-CG 4.32Å; L4-W70 HydrophobicContact CD2-CD2 4.28Å; L4-W70 HydrophobicContact CD2-CG 4.48Å; L4-W70 WeakPolarHBondContact O-CA 3.47Å; L6-W70 HydrophobicContact CD1-CE3 4.31Å; V62-W70 HydrophobicContact CG1-CH2 3.81Å; V62-W70 HydrophobicContact CG1-CZ2 3.43Å; V62-W70 VanDerWaalsContact CG1-CZ2 3.43Å; W70-L72 HydrophobicContact CB-CD2 4.34Å; W70-L102 HydrophobicContact CH2-CB 3.85Å; W70-L102 HydrophobicContact CZ3-CB 3.91Å; W70-I103 HydrophobicContact CE3-CD1 4.42Å; W70-I103 HydrophobicContact CE3-CG1 3.68Å; W70-I103 HydrophobicContact CH2-CG1 4.49Å; W70-I103 HydrophobicContact CZ3-CB 4.47Å; W70-I103 HydrophobicContact CZ3-CG1 3.54Å; W70-L106 HydrophobicContact CH2-CB 4.21Å; W70-L106 HydrophobicContact CH2-CD1 3.96Å; W70-L106 HydrophobicContact CZ2-CB 4.16Å; W70-L106 HydrophobicContact CZ2-CD1 3.97Å; W70-P108 HydrophobicContact CD2-CB 3.93Å; W70-P108 HydrophobicContact CD2-CG 3.69Å; W70-P108 HydrophobicContact CE3-CG 4.06Å; W70-P108 HydrophobicContact CG-CB 3.82Å; W70-P108 HydrophobicContact CG-CG 3.92Å; W70-P108 HydrophobicContact CZ2-CB 4.38Å; W70-P108 HydrophobicContact CZ2-CG 4.27Å; W70-P108 HydrophobicContact CZ3-CG 4.5Å; W70-G110 PolarHBondContact N-O 2.91Å; W70-I111 VanDerWaalsContact O-CA 3.32Å; W70-I111 WeakPolarHBondContact O-CA 3.49Å; W70-I112 PolarHBondContact O-N 3.41Å
71S98.4Very high83.2Confident0 Ų057.5 Ų57.50%031%0.31CS..EExtended strand (participates in β ladder)trans-107.8131172.961.10000110.4L4 E5 L6 I112L4-S71 PolarHBondContact O-N 3.31Å; E5-S71 WeakPolarHBondContact CA-OG 3.41Å; E5-S71 WeakPolarHBondContact CG-OG 3.38Å; L6-S71 PolarHBondContact N-O 3.46Å; S71-I112 CarbonylContact C-O 3.48Å; S71-I112 WeakPolarHBondContact CA-O 3.44Å
72L96.4Very high80.2Confident0 Ų062 Ų620%034%0.338CS..EExtended strand (participates in β ladder)trans-127.4125.8-168.5-47.5179.1000110.5L6 W70 P74 F96 V99 I103 I111 I112 L113 E114L6-L72 HydrophobicContact CB-CD2 3.76Å; L6-L72 HydrophobicContact CD1-CD2 3.61Å; L6-L72 HydrophobicContact CG-CD2 3.94Å; W70-L72 HydrophobicContact CB-CD2 4.34Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; L72-F96 HydrophobicContact CD1-CE2 4.34Å; L72-V99 HydrophobicContact CD1-CG1 4.12Å; L72-V99 HydrophobicContact CD2-CG1 3.96Å; L72-I103 HydrophobicContact CD1-CD1 4.14Å; L72-I111 HydrophobicContact CD1-CG2 3.81Å; L72-I111 HydrophobicContact CG-CG2 4.29Å; L72-I112 PolarHBondContact N-O 3.38Å; L72-L113 HydrophobicContact CB-CB 4.27Å; L72-L113 HydrophobicContact CB-CD1 4.18Å; L72-L113 HydrophobicContact CB-CG 4.24Å; L72-L113 HydrophobicContact CD1-CD1 4.17Å; L72-L113 VanDerWaalsContact O-CA 3.3Å; L72-L113 WeakPolarHBondContact O-CA 3.34Å; L72-E114 PolarHBondContact O-N 2.81Å
73C95.1Very high77.3Confident29 Ų2965.1 Ų65.120%0.19637%0.371CS..  trans-124.359.9168.2-690000110.6L6 Y7 M13L6-C73 PolarHBondContact O-N 2.99Å; Y7-C73 WeakPolarHBondContact CB-O 3.3Å; M13-C73 WeakPolarHBondContact CE-SG 3.43Å
74P92.8Very high74.4Confident7 Ų769 Ų695%0.04538%0.378CS..PPolyproline II helixtrans-61.9151.6-170.427-33.9000111.9Y7 L72 C76 F96 L113 N115Y7-P74 HydrophobicContact CD2-CB 4.17Å; Y7-P74 HydrophobicContact CE2-CB 3.91Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; P74-C76 PolarHBondContact O-N 3.3Å; P74-F96 HydrophobicContact CB-CB 4.18Å; P74-F96 HydrophobicContact CB-CD2 3.63Å; P74-F96 HydrophobicContact CB-CE2 4.26Å; P74-F96 HydrophobicContact CB-CG 4Å; P74-F96 HydrophobicContact CG-CD2 3.75Å; P74-F96 HydrophobicContact CG-CE2 3.85Å; P74-F96 HydrophobicContact CG-CG 4.32Å; P74-F96 HydrophobicContact CG-CZ 4.47Å; P74-L113 HydrophobicContact CG-CD1 4.14Å; P74-N115 PolarHBondContact O-ND2 2.67Å
75P86.2Confident71.7Confident75 Ų7576.9 Ų76.949%0.48740%0.395SS..PPolyproline II helixtrans-61.7134-17826.2-34.8000111.7Y7Y7-P75 VanDerWaalsContact CE1-CD 3.49Å; Y7-P75 HydrophobicContact CE1-CG 4.49Å
76C72.3Confident68.9Low55 Ų5581.5 Ų81.537%0.37242%0.417SS..PPolyproline II helixtrans-77.4130.2175.9176.50000111.7P74 V116P74-C76 PolarHBondContact O-N 3.3Å; C76-V116 HydrophobicContact CB-CG1 4.09Å; C76-V116 HydrophobicContact CB-CG2 4.21Å; C76-V116 WeakPolarHBondContact SG-CG2 3.37Å
77Q59.4Low66.1Low71 Ų7182.2 Ų82.233%0.33243%0.43SS..PPolyproline II helixtrans-67.1140.8164.5-69-173.4-28.100109.8F79 S93Q77-F79 WeakPolarHBondContact O-CD2 3.48Å; Q77-F79 PolarHBondContact O-N 3.17Å; Q77-S93 PolarHBondContact NE2-OG 3.45Å
78P51.1Low63.2Low90 Ų9088.7 Ų88.758%0.58446%0.457SS*.  trans-66.898.9172.827.2-31.6000109.6T80P78-T80 VanDerWaalsContact C-N 3.34Å; P78-T80 PolarHBondContact O-N 2.91Å
79F47.9Very low60.6Low95 Ų9589.6 Ų89.642%0.41747%0.473SS..  trans-71.492.9163.5-55.7-78.2000107.4Q77 R81 V116Q77-F79 WeakPolarHBondContact O-CD2 3.48Å; Q77-F79 PolarHBondContact O-N 3.17Å; F79-R81 PolarHBondContact O-N 3.31Å; F79-V116 HydrophobicContact CD2-CG2 4.44Å; F79-V116 HydrophobicContact CE2-CG2 4.3Å
80T36.2Very low58.3Low85 Ų8594.7 Ų94.752%0.52150%0.5SS..  trans-63.5121.5171.244.40000108.7P78 L82P78-T80 VanDerWaalsContact C-N 3.34Å; P78-T80 PolarHBondContact O-N 2.91Å; T80-L82 PolarHBondContact O-N 2.95Å
81R39.5Very low56.4Low253 Ų253101.3 Ų101.396%0.95554%0.536SS*.SBendtrans-54-22176.5-90.6-175.5166.5-171.6-6113.8F79F79-R81 PolarHBondContact O-N 3.31Å
82L35.2Very low54.6Low157 Ų157109.3 Ų109.382%0.82257%0.566SS**SBendtrans-140.5116.5-180-72.3162.6000108.4T80T80-L82 PolarHBondContact O-N 2.95Å
83G36.5Very low53.6Low69 Ų69109.8 Ų109.871%0.71157%0.569SS**SBendtrans65.679155.400000116.7
84K34.4Very low53.2Low162 Ų162110.1 Ų110.170%0.70457%0.572SS**  173.791.9129.4-94.5168.2-176.4-172.50108.5M86K84-M86 HydrophobicContact CB-CB 4.35Å; K84-M86 HydrophobicContact CB-CG 3.77Å; K84-M86 HydrophobicContact CD-CG 3.91Å; K84-M86 HydrophobicContact CG-CG 3.73Å; K84-M86 PolarHBondContact O-N 3.35Å
85R41.4Very low53.1Low252 Ų252110.4 Ų110.495%0.95157%0.574SS**  trans-68.352.1152.3-68.6-179176.1-179.9-1.9108.7C87R85-C87 PolarHBondContact O-N 3.32Å
86M37.9Very low53.5Low116 Ų116107 Ų10757%0.57155%0.552SS**  trans-66113172.2-81.5-79.3-68.600105.2K84 E88K84-M86 HydrophobicContact CB-CB 4.35Å; K84-M86 HydrophobicContact CB-CG 3.77Å; K84-M86 HydrophobicContact CD-CG 3.91Å; K84-M86 HydrophobicContact CG-CG 3.73Å; K84-M86 PolarHBondContact O-N 3.35Å; M86-E88 HydrophobicContact CE-CG 4.49Å; M86-E88 PolarHBondContact O-N 2.99Å
87C37.1Very low54.6Low129 Ų129106.7 Ų106.787%0.87254%0.544SS*.  trans-61.852.7164.4-59.90000110.7R85 A89R85-C87 PolarHBondContact O-N 3.32Å; C87-A89 PolarHBondContact O-N 3.29Å; C87-A89 VanDerWaalsContact O-N 3.1Å
88E37.2Very low56.3Low154 Ų154105.5 Ų105.572%0.7254%0.539SS*.  trans-78.470151.7-73.5179.9-169.300106.7M86M86-E88 HydrophobicContact CE-CG 4.49Å; M86-E88 PolarHBondContact O-N 2.99Å
89A40.7Very low58.5Low79 Ų79101.2 Ų101.265%0.65351%0.511SS*.  trans-46.3140.5138.200000107C87C87-A89 PolarHBondContact O-N 3.29Å; C87-A89 VanDerWaalsContact O-N 3.1Å
90D51.3Low60.9Low107 Ų10796.9 Ų96.957%0.57249%0.492SS*.SBendcis-167.212.732.2-138-15.1000114.3
91N57.7Low63.8Low143 Ų14397 Ų9777%0.76549%0.489SS*.SBendtrans-100.3-18.8-169.5-77.93.8000116.4S94N91-S94 PolarHBondContact O-OG 3.31Å
92R61.5Low66.6Low167 Ų16785.2 Ų85.263%0.6345%0.445SS*.SBendtrans-84-25.4-177.1-72.3-170.5-177.11697.2113.7
93S74.6Confident69.6Low10 Ų1077.7 Ų77.77%0.0741%0.406CS..SBendtrans-97.3-8.3178.8-55.20000112.6Q77 S95 F96 F97Q77-S93 PolarHBondContact NE2-OG 3.45Å; S93-S95 VanDerWaalsContact C-N 3.3Å; S93-S95 PolarHBondContact O-N 3.49Å; S93-F96 PolarHBondContact O-N 3.14Å; S93-F97 WeakPolarHBondContact O-CG 3.46Å; S93-F97 PolarHBondContact O-N 2.85Å
94S85.8Confident72.5Confident37 Ų3776.4 Ų76.426%0.25939%0.386SS..Hα-helixtrans-53.2-47.5-179.958.10000111.8E55 N91 F96 F97 H98E55-S94 PolarHBondContact OE1-OG 3.03Å; N91-S94 PolarHBondContact O-OG 3.31Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 PolarHBondContact O-N 3.24Å; S94-F97 PolarHBondContact O-N 3.02Å; S94-H98 WeakPolarHBondContact O-CB 3.42Å; S94-H98 PolarHBondContact O-N 3.4Å
95S92.2Very high75.5Confident13 Ų1373.6 Ų73.69%0.09138%0.377CS..Hα-helixtrans-57.6-42.2176.3540000112.1Y7 E55 S93 V99Y7-S95 WeakPolarHBondContact OH-CB 3.26Å; Y7-S95 PolarHBondContact OH-O 2.84Å; Y7-S95 VanDerWaalsContact OH-O 3.07Å; Y7-S95 PolarHBondContact OH-OG 3.39Å; E55-S95 VanDerWaalsContact OE1-CA 3.25Å; E55-S95 WeakPolarHBondContact OE1-CA 3.37Å; E55-S95 VanDerWaalsContact OE1-CB 3.23Å; E55-S95 WeakPolarHBondContact OE1-CB 3.45Å; E55-S95 PolarHBondContact OE1-N 3.1Å; E55-S95 VanDerWaalsContact OE1-N 3.09Å; S93-S95 VanDerWaalsContact C-N 3.3Å; S93-S95 PolarHBondContact O-N 3.49Å; S95-V99 WeakPolarHBondContact O-CG2 3.43Å; S95-V99 PolarHBondContact O-N 3.08Å; S95-V99 VanDerWaalsContact O-N 3.09Å
96F94.8Very high78.2Confident4 Ų464 Ų642%0.01835%0.345CS..Hα-helixtrans-72.9-40.6179.8-174.6-120.6000112Y7 L72 P74 S93 S94 H98 V99 L100 L113 F119 P124 L128Y7-F96 WeakPolarHBondContact OH-CA 3.44Å; Y7-F96 PolarHBondContact OH-N 2.97Å; L72-F96 HydrophobicContact CD1-CE2 4.34Å; P74-F96 HydrophobicContact CB-CB 4.18Å; P74-F96 HydrophobicContact CB-CD2 3.63Å; P74-F96 HydrophobicContact CB-CE2 4.26Å; P74-F96 HydrophobicContact CB-CG 4Å; P74-F96 HydrophobicContact CG-CD2 3.75Å; P74-F96 HydrophobicContact CG-CE2 3.85Å; P74-F96 HydrophobicContact CG-CG 4.32Å; P74-F96 HydrophobicContact CG-CZ 4.47Å; S93-F96 PolarHBondContact O-N 3.14Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 PolarHBondContact O-N 3.24Å; F96-H98 VanDerWaalsContact C-N 3.33Å; F96-H98 PolarHBondContact O-N 3.38Å; F96-V99 WeakPolarHBondContact O-CA 3.21Å; F96-V99 WeakPolarHBondContact O-CB 3.33Å; F96-V99 PolarHBondContact O-N 3Å; F96-V99 VanDerWaalsContact O-N 3.11Å; F96-L100 HydrophobicContact CD1-CD1 4.37Å; F96-L100 HydrophobicContact CD1-CG 4.45Å; F96-L100 HydrophobicContact CE1-CD1 4.05Å; F96-L100 HydrophobicContact CE1-CD2 4.17Å; F96-L100 HydrophobicContact CE1-CG 4.2Å; F96-L100 HydrophobicContact CE2-CD2 4.13Å; F96-L100 HydrophobicContact CZ-CD2 3.79Å; F96-L100 HydrophobicContact CZ-CG 4.26Å; F96-L100 WeakPolarHBondContact O-CG 3.21Å; F96-L100 PolarHBondContact O-N 3.29Å; F96-L113 HydrophobicContact CE2-CD1 3.77Å; F96-L113 HydrophobicContact CZ-CD1 3.75Å; F96-F119 HydrophobicContact CE1-CE2 4.38Å; F96-F119 HydrophobicContact CE1-CZ 4Å; F96-F119 HydrophobicContact CZ-CZ 4.15Å; F96-P124 HydrophobicContact CD1-CB 3.74Å; F96-P124 HydrophobicContact CE1-CB 3.83Å; F96-L128 HydrophobicContact CE1-CB 4.41Å; F96-L128 HydrophobicContact CZ-CB 4.25Å; F96-L128 HydrophobicContact CZ-CD1 4.41Å; F96-L128 HydrophobicContact CZ-CD2 4.29Å
97F94.3Very high81.1Confident47 Ų4763.1 Ų63.121%0.20634%0.338CS..Hα-helixtrans-62.8-39.9174.4-63.9-31.1000112.1S93 S94 V99 L100 D101 E123 P124 R127S93-F97 WeakPolarHBondContact O-CG 3.46Å; S93-F97 PolarHBondContact O-N 2.85Å; S94-F97 PolarHBondContact O-N 3.02Å; F97-V99 VanDerWaalsContact C-N 3.29Å; F97-V99 PolarHBondContact O-N 3.31Å; F97-L100 HydrophobicContact CD1-CD1 4.14Å; F97-L100 WeakPolarHBondContact O-CA 3.41Å; F97-L100 WeakPolarHBondContact O-CB 3.48Å; F97-L100 PolarHBondContact O-N 3.31Å; F97-D101 PolarHBondContact O-N 2.88Å; F97-E123 HydrophobicContact CZ-CG 4.27Å; F97-P124 HydrophobicContact CE1-CG 4.41Å; F97-P124 HydrophobicContact CZ-CG 4.49Å; F97-R127 HydrophobicContact CE1-CB 4.15Å; F97-R127 HydrophobicContact CE1-CG 3.93Å
98H95.7Very high83.9Confident47 Ų4757.3 Ų57.322%0.21830%0.298CS..Hα-helixtrans-58.8-40.9171-175.877.4000112.1I54 E55 F57 S94 F96 L100 D101 L102I54-H98 PolarHBondContact O-CD2 3.17Å; I54-H98 PolarHBondContact O-NE2 2.8Å; E55-H98 HydrophobicContact CG-CB 4.39Å; F57-H98 PolarHBondContact O-CE1 3.36Å; F57-H98 PolarHBondContact O-NE2 3.39Å; S94-H98 WeakPolarHBondContact O-CB 3.42Å; S94-H98 PolarHBondContact O-N 3.4Å; F96-H98 VanDerWaalsContact C-N 3.33Å; F96-H98 PolarHBondContact O-N 3.38Å; H98-L100 VanDerWaalsContact C-N 3.35Å; H98-D101 PolarHBondContact O-N 3.09Å; H98-L102 WeakPolarHBondContact O-CG 3.34Å; H98-L102 PolarHBondContact O-N 3.26Å
99V97.2Very high86.7Confident0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-63.6-39.8173.2171.20000111.8L6 Y7 I54 L72 S95 F96 F97 D101 L102 I103L6-V99 HydrophobicContact CD1-CB 4.48Å; L6-V99 HydrophobicContact CD1-CG1 3.87Å; L6-V99 HydrophobicContact CD1-CG2 3.7Å; Y7-V99 HydrophobicContact CE2-CG2 4.25Å; I54-V99 HydrophobicContact CG2-CG2 3.5Å; I54-V99 VanDerWaalsContact CG2-CG2 3.5Å; L72-V99 HydrophobicContact CD1-CG1 4.12Å; L72-V99 HydrophobicContact CD2-CG1 3.96Å; S95-V99 WeakPolarHBondContact O-CG2 3.43Å; S95-V99 PolarHBondContact O-N 3.08Å; S95-V99 VanDerWaalsContact O-N 3.09Å; F96-V99 WeakPolarHBondContact O-CA 3.21Å; F96-V99 WeakPolarHBondContact O-CB 3.33Å; F96-V99 PolarHBondContact O-N 3Å; F96-V99 VanDerWaalsContact O-N 3.11Å; F97-V99 VanDerWaalsContact C-N 3.29Å; F97-V99 PolarHBondContact O-N 3.31Å; V99-D101 VanDerWaalsContact C-N 3.35Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-I103 HydrophobicContact CG1-CD1 3.87Å; V99-I103 HydrophobicContact CG1-CG1 4.4Å; V99-I103 VanDerWaalsContact O-CG1 3.28Å; V99-I103 WeakPolarHBondContact O-CG1 3.35Å; V99-I103 PolarHBondContact O-N 3.41Å
100L97.7Very high89.4Confident4 Ų447.3 Ų47.32%0.02124%0.242CC..Hα-helixtrans-63.2-40.8175.4-64.5-173.4000111.8F96 F97 H98 I103 S104 R127 L128 V131F96-L100 HydrophobicContact CD1-CD1 4.37Å; F96-L100 HydrophobicContact CD1-CG 4.45Å; F96-L100 HydrophobicContact CE1-CD1 4.05Å; F96-L100 HydrophobicContact CE1-CD2 4.17Å; F96-L100 HydrophobicContact CE1-CG 4.2Å; F96-L100 HydrophobicContact CE2-CD2 4.13Å; F96-L100 HydrophobicContact CZ-CD2 3.79Å; F96-L100 HydrophobicContact CZ-CG 4.26Å; F96-L100 WeakPolarHBondContact O-CG 3.21Å; F96-L100 PolarHBondContact O-N 3.29Å; F97-L100 HydrophobicContact CD1-CD1 4.14Å; F97-L100 WeakPolarHBondContact O-CA 3.41Å; F97-L100 WeakPolarHBondContact O-CB 3.48Å; F97-L100 PolarHBondContact O-N 3.31Å; H98-L100 VanDerWaalsContact C-N 3.35Å; L100-I103 HydrophobicContact CD2-CD1 4.19Å; L100-I103 PolarHBondContact O-N 2.65Å; L100-S104 PolarHBondContact O-N 3.22Å; L100-R127 HydrophobicContact CD1-CB 3.63Å; L100-L128 HydrophobicContact CD1-CB 4.43Å; L100-L128 HydrophobicContact CD2-CB 4.08Å; L100-L128 HydrophobicContact CD2-CD1 3.59Å; L100-L128 HydrophobicContact CD2-CG 4.45Å; L100-V131 HydrophobicContact CB-CG2 4.24Å
101D97.6Very high91.6Very high87 Ų8742.2 Ų42.247%0.46522%0.215SC..Hα-helixtrans-62.1-45.1174.5-66.4-24.1000110.7F97 H98 V99 I103 S104 I105F97-D101 PolarHBondContact O-N 2.88Å; H98-D101 PolarHBondContact O-N 3.09Å; V99-D101 VanDerWaalsContact C-N 3.35Å; D101-I103 PolarHBondContact O-N 3.46Å; D101-S104 PolarHBondContact O-N 2.93Å; D101-S104 VanDerWaalsContact O-N 3.16Å; D101-S104 PolarHBondContact O-OG 3.28Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 2.97Å; D101-I105 VanDerWaalsContact O-N 3.14Å
102L98.3Very high93.5Very high5 Ų535.4 Ų35.43%0.02618%0.178CC..Hα-helixtrans-60.2-41173.9-71.2170.7000112.6F57 P59 V62 W70 H98 V99 S104 I105 L106F57-L102 HydrophobicContact CB-CD1 4.46Å; P59-L102 HydrophobicContact CB-CD2 4.35Å; P59-L102 HydrophobicContact CG-CD2 3.97Å; V62-L102 HydrophobicContact CG2-CD1 4.08Å; V62-L102 HydrophobicContact CG2-CD2 4.23Å; W70-L102 HydrophobicContact CH2-CB 3.85Å; W70-L102 HydrophobicContact CZ3-CB 3.91Å; H98-L102 WeakPolarHBondContact O-CG 3.34Å; H98-L102 PolarHBondContact O-N 3.26Å; V99-L102 PolarHBondContact O-N 2.83Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 3.28Å; L102-I105 PolarHBondContact O-N 3.24Å; L102-L106 WeakPolarHBondContact O-CB 3.16Å; L102-L106 PolarHBondContact O-N 3.18Å
103I98.2Very high95.2Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-61.8-41.9175.1-71.8161.1000110.4W70 L72 V99 L100 D101 I105 K107 P108 I111 V131 Y137W70-I103 HydrophobicContact CE3-CD1 4.42Å; W70-I103 HydrophobicContact CE3-CG1 3.68Å; W70-I103 HydrophobicContact CH2-CG1 4.49Å; W70-I103 HydrophobicContact CZ3-CB 4.47Å; W70-I103 HydrophobicContact CZ3-CG1 3.54Å; L72-I103 HydrophobicContact CD1-CD1 4.14Å; V99-I103 HydrophobicContact CG1-CD1 3.87Å; V99-I103 HydrophobicContact CG1-CG1 4.4Å; V99-I103 VanDerWaalsContact O-CG1 3.28Å; V99-I103 WeakPolarHBondContact O-CG1 3.35Å; V99-I103 PolarHBondContact O-N 3.41Å; L100-I103 HydrophobicContact CD2-CD1 4.19Å; L100-I103 PolarHBondContact O-N 2.65Å; D101-I103 PolarHBondContact O-N 3.46Å; I103-I105 VanDerWaalsContact C-N 3.28Å; I103-I105 PolarHBondContact O-N 2.89Å; I103-K107 VanDerWaalsContact O-CA 3.26Å; I103-K107 WeakPolarHBondContact O-CA 3.32Å; I103-K107 PolarHBondContact O-N 2.86Å; I103-P108 HydrophobicContact CG1-CG 4.38Å; I103-I111 HydrophobicContact CD1-CD1 3.95Å; I103-I111 HydrophobicContact CG1-CD1 4.13Å; I103-I111 HydrophobicContact CG2-CD1 3.76Å; I103-V131 HydrophobicContact CB-CG1 4.36Å; I103-V131 HydrophobicContact CG2-CG1 3.89Å; I103-Y137 HydrophobicContact CG2-CE2 4.28Å
104S97.9Very high96.3Very high41 Ų4127.6 Ų27.629%0.28715%0.148SC..Hα-helixtrans-63.6-34.9-178.979.30000112.8L100 D101 L102 K107L100-S104 PolarHBondContact O-N 3.22Å; D101-S104 PolarHBondContact O-N 2.93Å; D101-S104 VanDerWaalsContact O-N 3.16Å; D101-S104 PolarHBondContact O-OG 3.28Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 3.28Å; S104-K107 WeakPolarHBondContact O-CE 3.3Å
105I97.6Very high96.8Very high103 Ų10326.1 Ų26.153%0.52814%0.137SC..Hα-helixtrans-81.6-52.2-179.9-63.6164.7000110.9P59 D101 L102 I103P59-I105 HydrophobicContact CB-CG2 4.15Å; P59-I105 HydrophobicContact CG-CD1 3.87Å; P59-I105 HydrophobicContact CG-CG2 4.5Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 2.97Å; D101-I105 VanDerWaalsContact O-N 3.14Å; L102-I105 PolarHBondContact O-N 3.24Å; I103-I105 VanDerWaalsContact C-N 3.28Å; I103-I105 PolarHBondContact O-N 2.89Å
106L97.7Very high96.9Very high52 Ų5227.3 Ų27.327%0.27214%0.144SC..Hα-helixtrans-92.2-19.8-167.8-62.3177.3000114.1P59 V62 C63 W70 L102P59-L106 HydrophobicContact CB-CD2 4.35Å; V62-L106 HydrophobicContact CB-CD1 3.56Å; V62-L106 HydrophobicContact CG1-CD1 3.47Å; V62-L106 VanDerWaalsContact CG1-CD1 3.47Å; C63-L106 HydrophobicContact CB-CD2 4.05Å; W70-L106 HydrophobicContact CH2-CB 4.21Å; W70-L106 HydrophobicContact CH2-CD1 3.96Å; W70-L106 HydrophobicContact CZ2-CB 4.16Å; W70-L106 HydrophobicContact CZ2-CD1 3.97Å; L102-L106 WeakPolarHBondContact O-CB 3.16Å; L102-L106 PolarHBondContact O-N 3.18Å
107K97.2Very high96.8Very high97 Ų9731.7 Ų31.742%0.42216%0.163SC..  trans46.162.4175.4-58.9-179.3-178.4-179.50113.5I103 S104 A109 C135 Y137 L164I103-K107 VanDerWaalsContact O-CA 3.26Å; I103-K107 WeakPolarHBondContact O-CA 3.32Å; I103-K107 PolarHBondContact O-N 2.86Å; S104-K107 WeakPolarHBondContact O-CE 3.3Å; K107-A109 PolarHBondContact O-N 2.96Å; K107-C135 HydrophobicContact CD-CB 4.46Å; K107-C135 HydrophobicContact CG-CB 4.4Å; K107-Y137 VanDerWaalsContact CA-OH 3.24Å; K107-Y137 WeakPolarHBondContact CA-OH 3.15Å; K107-L164 HydrophobicContact CB-CD2 4.3Å
108P97.2Very high96.8Very high6 Ų630.3 Ų30.34%0.03916%0.162CC..  trans-52.9139.3176.326.1-37.5000111W70 I103 G110 I111 Y137W70-P108 HydrophobicContact CD2-CB 3.93Å; W70-P108 HydrophobicContact CD2-CG 3.69Å; W70-P108 HydrophobicContact CE3-CG 4.06Å; W70-P108 HydrophobicContact CG-CB 3.82Å; W70-P108 HydrophobicContact CG-CG 3.92Å; W70-P108 HydrophobicContact CZ2-CB 4.38Å; W70-P108 HydrophobicContact CZ2-CG 4.27Å; W70-P108 HydrophobicContact CZ3-CG 4.5Å; I103-P108 HydrophobicContact CG1-CG 4.38Å; P108-G110 PolarHBondContact O-N 2.83Å; P108-G110 VanDerWaalsContact O-N 3.1Å; P108-I111 HydrophobicContact CG-CD1 4.07Å; P108-I111 HydrophobicContact CG-CG1 3.91Å; P108-Y137 VanDerWaalsContact CD-OH 3.24Å; P108-Y137 WeakPolarHBondContact CD-OH 3.27Å; P108-Y137 WeakPolarHBondContact O-CE1 3.21Å; P108-Y137 PolarHBondContact O-OH 2.86Å
109A96Very high96.6Very high23 Ų2328.4 Ų28.419%0.1915%0.153CC..SBendtrans-59.6-30-175.400000113.1N68 K107 R163 L164 W169N68-A109 HydrophobicContact CB-CB 4.36Å; N68-A109 WeakPolarHBondContact O-CA 3.35Å; N68-A109 WeakPolarHBondContact O-CB 3.46Å; N68-A109 PolarHBondContact O-N 3.47Å; K107-A109 PolarHBondContact O-N 2.96Å; A109-R163 WeakPolarHBondContact O-CA 3.37Å; A109-L164 PolarHBondContact O-N 3.2Å; A109-W169 VanDerWaalsContact C-CZ3 3.48Å; A109-W169 HydrophobicContact CB-CE3 4.22Å; A109-W169 HydrophobicContact CB-CH2 3.77Å; A109-W169 HydrophobicContact CB-CZ3 3.31Å
110G96.1Very high96.4Very high0 Ų028.8 Ų28.80%016%0.155CC..EExtended strand (participates in β ladder)trans-140.6148179.700000113N68 V69 W70 P108 A162N68-G110 PolarHBondContact O-N 2.85Å; V69-G110 CarbonylContact C-O 3.58Å; V69-G110 VanDerWaalsContact CA-O 3.28Å; V69-G110 WeakPolarHBondContact CA-O 3.38Å; W70-G110 PolarHBondContact N-O 2.91Å; P108-G110 PolarHBondContact O-N 2.83Å; P108-G110 VanDerWaalsContact O-N 3.1Å; G110-A162 CarbonylContact C-O 3.54Å; G110-A162 WeakPolarHBondContact CA-O 3.44Å
111I97.5Very high96.1Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-134.9135.3177-54.6171.8000108.8W70 L72 I103 P108 L132 Y137 A162W70-I111 VanDerWaalsContact O-CA 3.32Å; W70-I111 WeakPolarHBondContact O-CA 3.49Å; L72-I111 HydrophobicContact CD1-CG2 3.81Å; L72-I111 HydrophobicContact CG-CG2 4.29Å; I103-I111 HydrophobicContact CD1-CD1 3.95Å; I103-I111 HydrophobicContact CG1-CD1 4.13Å; I103-I111 HydrophobicContact CG2-CD1 3.76Å; P108-I111 HydrophobicContact CG-CD1 4.07Å; P108-I111 HydrophobicContact CG-CG1 3.91Å; I111-L132 HydrophobicContact CD1-CD2 3.92Å; I111-Y137 HydrophobicContact CD1-CE1 3.92Å; I111-Y137 HydrophobicContact CG1-CE1 4.27Å; I111-A162 HydrophobicContact CB-CB 4.22Å; I111-A162 PolarHBondContact N-O 2.84Å; I111-A162 PolarHBondContact O-N 3.15Å
112I98Very high95.8Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-123.3131.8166.3-176.6167.5000109M13 F17 W70 S71 L72 L160 L161 V358 L361 I362M13-I112 HydrophobicContact CE-CG1 4.28Å; M13-I112 HydrophobicContact SD-CD1 4.44Å; M13-I112 HydrophobicContact SD-CG2 4.4Å; F17-I112 HydrophobicContact CZ-CG2 4.12Å; W70-I112 PolarHBondContact O-N 3.41Å; S71-I112 CarbonylContact C-O 3.48Å; S71-I112 WeakPolarHBondContact CA-O 3.44Å; L72-I112 PolarHBondContact N-O 3.38Å; I112-L160 WeakPolarHBondContact CA-O 3.41Å; I112-L161 HydrophobicContact CB-CD2 4.21Å; I112-L161 HydrophobicContact CD1-CD2 3.76Å; I112-L161 HydrophobicContact CG1-CD2 3.71Å; I112-V358 HydrophobicContact CD1-CG1 4.1Å; I112-L361 HydrophobicContact CD1-CB 4.15Å; I112-I362 HydrophobicContact CD1-CD1 4.42Å; I112-I362 HydrophobicContact CD1-CG1 3.57Å
113L98.1Very high95.5Very high0 Ų035.6 Ų35.60%018%0.184CC..EExtended strand (participates in β ladder)trans-129.8136.3179.3-178.8149.4000110.4L72 P74 F96 N115 F119 L128 F158 Y159 L160L72-L113 HydrophobicContact CB-CB 4.27Å; L72-L113 HydrophobicContact CB-CD1 4.18Å; L72-L113 HydrophobicContact CB-CG 4.24Å; L72-L113 HydrophobicContact CD1-CD1 4.17Å; L72-L113 VanDerWaalsContact O-CA 3.3Å; L72-L113 WeakPolarHBondContact O-CA 3.34Å; P74-L113 HydrophobicContact CG-CD1 4.14Å; F96-L113 HydrophobicContact CE2-CD1 3.77Å; F96-L113 HydrophobicContact CZ-CD1 3.75Å; L113-N115 HydrophobicContact CD2-CB 4.18Å; L113-F119 HydrophobicContact CD1-CZ 4.43Å; L113-F119 HydrophobicContact CD2-CD1 4.35Å; L113-F119 HydrophobicContact CD2-CE1 3.85Å; L113-F119 HydrophobicContact CD2-CZ 4.34Å; L113-L128 HydrophobicContact CD1-CD2 3.89Å; L113-F158 HydrophobicContact CD2-CD1 3.9Å; L113-F158 HydrophobicContact CD2-CE1 3.86Å; L113-Y159 CarbonylContact O-C 3.56Å; L113-Y159 VanDerWaalsContact O-CA 3.25Å; L113-Y159 WeakPolarHBondContact O-CA 3.45Å; L113-L160 HydrophobicContact CB-CB 4.36Å; L113-L160 PolarHBondContact N-O 3Å; L113-L160 PolarHBondContact O-N 2.81Å
114E97.6Very high95.2Very high13 Ų1336.1 Ų36.16%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-117.3141.5167.2-176.4-87.8163.300110M13 L72 R157 F158 Y159 V353M13-E114 HydrophobicContact CE-CB 3.84Å; L72-E114 PolarHBondContact O-N 2.81Å; E114-R157 HydrophobicContact CG-CB 4.35Å; E114-R157 WeakPolarHBondContact OE1-CD 3.45Å; E114-R157 WeakPolarHBondContact OE1-CG 3.37Å; E114-R157 IonicContact OE1-NE 2.99Å; E114-R157 PolarHBondContact OE1-NE 2.92Å; E114-F158 CarbonylContact C-O 3.52Å; E114-F158 WeakPolarHBondContact CA-O 3.4Å; E114-Y159 HydrophobicContact CB-CD1 3.9Å; E114-Y159 HydrophobicContact CB-CE1 3.97Å; E114-Y159 HydrophobicContact CG-CD1 3.76Å; E114-Y159 HydrophobicContact CG-CE1 3.39Å; E114-V353 HydrophobicContact CB-CG1 4Å; E114-V353 HydrophobicContact CG-CG1 3.83Å
115N96Very high95.1Very high6 Ų635.8 Ų35.83%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-154.2178.7170.7-143.6-58000111.5P74 L113 F119 R157 F158P74-N115 PolarHBondContact O-ND2 2.67Å; L113-N115 HydrophobicContact CD2-CB 4.18Å; N115-F119 HydrophobicContact CB-CB 3.74Å; N115-F119 HydrophobicContact CB-CD1 4.01Å; N115-F119 HydrophobicContact CB-CD2 3.99Å; N115-F119 HydrophobicContact CB-CG 3.64Å; N115-F119 WeakPolarHBondContact ND2-CD2 3.5Å; N115-R157 CarbonylContact O-C 3.57Å; N115-R157 WeakPolarHBondContact O-CA 3.08Å; N115-R157 WeakPolarHBondContact O-CB 3.4Å; N115-R157 VanDerWaalsContact O-CD 3.24Å; N115-R157 WeakPolarHBondContact O-CD 3.43Å; N115-F158 HydrophobicContact CB-CD1 4.43Å; N115-F158 PolarHBondContact N-O 2.89Å; N115-F158 PolarHBondContact O-N 2.9Å
116V94.2Very high94.9Very high38 Ų3835.8 Ų35.823%0.2317%0.173CC..EExtended strand (participates in β ladder)trans-74.1156.8175.9-52.70000112.3C76 F79 G118 F119C76-V116 HydrophobicContact CB-CG1 4.09Å; C76-V116 HydrophobicContact CB-CG2 4.21Å; C76-V116 WeakPolarHBondContact SG-CG2 3.37Å; F79-V116 HydrophobicContact CD2-CG2 4.44Å; F79-V116 HydrophobicContact CE2-CG2 4.3Å; V116-G118 PolarHBondContact O-N 3.47Å; V116-F119 VanDerWaalsContact O-CB 3.25Å; V116-F119 WeakPolarHBondContact O-CB 3.42Å; V116-F119 PolarHBondContact O-N 3.27Å; V116-F119 VanDerWaalsContact O-N 3.13Å
117K93.8Very high94.8Very high96 Ų9638.9 Ų38.942%0.41718%0.181SC..THydrogen-bonded Turntrans-54.5133.6164.1-176.7-174.5-170.6172.90109.9L143 L156 D212K117-L143 HydrophobicContact CB-CD2 4.08Å; K117-L143 HydrophobicContact CG-CD2 4.08Å; K117-L156 HydrophobicContact CD-CD2 3.71Å; K117-L156 HydrophobicContact CD-CG 4.39Å; K117-D212 IonicContact NZ-OD1 3.88Å; K117-D212 PolarHBondContact NZ-OD1 2.81Å
118G92.4Very high94.7Very high18 Ų1834.2 Ų34.219%0.18616%0.161CC..THydrogen-bonded Turntrans100-14-173.900000113.7V116 E120 H121V116-G118 PolarHBondContact O-N 3.47Å; G118-E120 WeakPolarHBondContact CA-OE2 3.41Å; G118-E120 PolarHBondContact N-OE1 2.95Å; G118-E120 PolarHBondContact N-OE2 3.44Å; G118-E120 PolarHBondContact O-N 2.96Å; G118-H121 PolarHBondContact O-N 3.43Å
119F93.3Very high94.7Very high7 Ų734.4 Ų34.43%0.03116%0.161CC..G310 helixtrans-58.2-39.1171.6176.9-102.6000111F96 L113 N115 V116 H121 S122 P124 W125 L128 F158F96-F119 HydrophobicContact CE1-CE2 4.38Å; F96-F119 HydrophobicContact CE1-CZ 4Å; F96-F119 HydrophobicContact CZ-CZ 4.15Å; L113-F119 HydrophobicContact CD1-CZ 4.43Å; L113-F119 HydrophobicContact CD2-CD1 4.35Å; L113-F119 HydrophobicContact CD2-CE1 3.85Å; L113-F119 HydrophobicContact CD2-CZ 4.34Å; N115-F119 HydrophobicContact CB-CB 3.74Å; N115-F119 HydrophobicContact CB-CD1 4.01Å; N115-F119 HydrophobicContact CB-CD2 3.99Å; N115-F119 HydrophobicContact CB-CG 3.64Å; N115-F119 WeakPolarHBondContact ND2-CD2 3.5Å; V116-F119 VanDerWaalsContact O-CB 3.25Å; V116-F119 WeakPolarHBondContact O-CB 3.42Å; V116-F119 PolarHBondContact O-N 3.27Å; V116-F119 VanDerWaalsContact O-N 3.13Å; F119-H121 PolarHBondContact O-N 2.98Å; F119-S122 WeakPolarHBondContact O-CB 3.27Å; F119-S122 PolarHBondContact O-N 3.25Å; F119-S122 PolarHBondContact O-OG 3.13Å; F119-P124 HydrophobicContact CE2-CB 3.67Å; F119-P124 HydrophobicContact CZ-CB 4.23Å; F119-W125 HydrophobicContact CD1-CB 4Å; F119-W125 AromaticContact CD1-CD1 3.85Å; F119-W125 HydrophobicContact CD1-CG 4.32Å; F119-W125 HydrophobicContact CE1-CB 3.79Å; F119-W125 AromaticContact CE1-CD1 3.76Å; F119-W125 HydrophobicContact CE1-CG 4.21Å; F119-W125 HydrophobicContact CG-CB 4.48Å; F119-W125 HydrophobicContact CZ-CB 4.09Å; F119-W125 WeakPolarHBondContact O-CB 3.33Å; F119-L128 HydrophobicContact CE1-CD2 4.23Å; F119-L128 HydrophobicContact CZ-CD2 4.45Å; F119-F158 HydrophobicContact CB-CB 4.46Å; F119-F158 AromaticContact CD1-CD1 3.49Å; F119-F158 HydrophobicContact CD1-CD1 3.49Å; F119-F158 VanDerWaalsContact CD1-CD1 3.49Å; F119-F158 AromaticContact CD1-CE1 3.59Å; F119-F158 HydrophobicContact CD1-CE1 3.59Å; F119-F158 HydrophobicContact CD1-CG 4.11Å; F119-F158 HydrophobicContact CD1-CZ 4.28Å; F119-F158 HydrophobicContact CE1-CD1 4.11Å; F119-F158 AromaticContact CE1-CE1 3.82Å; F119-F158 HydrophobicContact CE1-CE1 3.82Å; F119-F158 HydrophobicContact CG-CD1 4.42Å
120E92.5Very high94.7Very high9 Ų938.3 Ų38.34%0.04218%0.175CC..G310 helixtrans-58.7-7.3176.567.5-83-171.900115.6G118 F158 I181G118-E120 WeakPolarHBondContact CA-OE2 3.41Å; G118-E120 PolarHBondContact N-OE1 2.95Å; G118-E120 PolarHBondContact N-OE2 3.44Å; G118-E120 PolarHBondContact O-N 2.96Å; E120-F158 HydrophobicContact CB-CD2 3.87Å; E120-F158 HydrophobicContact CB-CE2 3.86Å; E120-I181 HydrophobicContact CB-CD1 3.43Å; E120-I181 VanDerWaalsContact CB-CD1 3.43Å; E120-I181 HydrophobicContact CG-CD1 3.58Å
121H91.1Very high94.7Very high151 Ų15139.3 Ų39.370%0.69918%0.181SC*.G310 helixtrans-117.310.2176.5-57.8-40.1000112.7G118 F119G118-H121 PolarHBondContact O-N 3.43Å; F119-H121 PolarHBondContact O-N 2.98Å
122S91.4Very high94.7Very high5 Ų539.3 Ų39.34%0.03518%0.181CC..SBendtrans-97.1162.4-17377.30000113.4F119 W125 R126F119-S122 WeakPolarHBondContact O-CB 3.27Å; F119-S122 PolarHBondContact O-N 3.25Å; F119-S122 PolarHBondContact O-OG 3.13Å; S122-W125 PolarHBondContact O-N 2.98Å; S122-W125 PolarHBondContact OG-N 3.24Å; S122-R126 PolarHBondContact O-N 3.05Å
123E91.5Very high94.6Very high83 Ų8342.3 Ų42.339%0.38820%0.197SC..Hα-helixtrans-59.8-49171.5-177.970.6-131.900112.5F97 W125 R126 R127F97-E123 HydrophobicContact CZ-CG 4.27Å; E123-W125 PolarHBondContact O-N 3.03Å; E123-R126 PolarHBondContact O-N 2.64Å; E123-R126 VanDerWaalsContact O-N 3.11Å; E123-R126 IonicContact OE1-NH1 2.79Å; E123-R126 PolarHBondContact OE1-NH1 2.66Å; E123-R126 IonicContact OE2-CZ 3.93Å; E123-R126 IonicContact OE2-NH1 3.22Å; E123-R126 PolarHBondContact OE2-NH1 3.03Å; E123-R126 IonicContact OE2-NH2 3.33Å; E123-R126 PolarHBondContact OE2-NH2 3.39Å; E123-R127 WeakPolarHBondContact O-CG 3.49Å; E123-R127 PolarHBondContact O-N 3.07Å
124P93Very high94.5Very high10 Ų1046.6 Ų46.67%0.06523%0.227CC..Hα-helixtrans-46-44.6170.2-35.840.1000115.2F96 F97 F119 L128F96-P124 HydrophobicContact CD1-CB 3.74Å; F96-P124 HydrophobicContact CE1-CB 3.83Å; F97-P124 HydrophobicContact CE1-CG 4.41Å; F97-P124 HydrophobicContact CZ-CG 4.49Å; F119-P124 HydrophobicContact CE2-CB 3.67Å; F119-P124 HydrophobicContact CZ-CB 4.23Å; P124-L128 WeakPolarHBondContact O-CB 3.46Å; P124-L128 PolarHBondContact O-N 3.06Å
125W94Very high94.5Very high35 Ų3546.5 Ų46.513%0.13323%0.228CC..Hα-helixtrans-67.5-43.8179.5175.290.6000112.2F119 S122 E123 R127 L128 I129 F158F119-W125 HydrophobicContact CD1-CB 4Å; F119-W125 AromaticContact CD1-CD1 3.85Å; F119-W125 HydrophobicContact CD1-CG 4.32Å; F119-W125 HydrophobicContact CE1-CB 3.79Å; F119-W125 AromaticContact CE1-CD1 3.76Å; F119-W125 HydrophobicContact CE1-CG 4.21Å; F119-W125 HydrophobicContact CG-CB 4.48Å; F119-W125 HydrophobicContact CZ-CB 4.09Å; F119-W125 WeakPolarHBondContact O-CB 3.33Å; S122-W125 PolarHBondContact O-N 2.98Å; S122-W125 PolarHBondContact OG-N 3.24Å; E123-W125 PolarHBondContact O-N 3.03Å; W125-R127 VanDerWaalsContact C-N 3.33Å; W125-R127 PolarHBondContact O-N 3.36Å; W125-L128 WeakPolarHBondContact O-CB 3.36Å; W125-L128 PolarHBondContact O-N 3.35Å; W125-L128 VanDerWaalsContact O-N 3.13Å; W125-I129 HydrophobicContact CD2-CG1 3.97Å; W125-I129 HydrophobicContact CE3-CG1 4.36Å; W125-I129 HydrophobicContact CH2-CG1 4.03Å; W125-I129 HydrophobicContact CZ2-CD1 4.14Å; W125-I129 HydrophobicContact CZ2-CG1 3.64Å; W125-I129 HydrophobicContact CZ3-CG1 4.37Å; W125-I129 WeakPolarHBondContact O-CG1 3.39Å; W125-I129 PolarHBondContact O-N 3.36Å; W125-F158 AromaticContact CD1-CZ 3.65Å; W125-F158 AromaticContact NE1-CE2 3.9Å; W125-F158 AromaticContact NE1-CZ 3.58Å
126R94.2Very high94.4Very high102 Ų10249.1 Ų49.139%0.38524%0.242SC..Hα-helixtrans-58.9-45.2177.1-74.5-173.7-84.595.2-0111.7S122 E123 L128 I129 E130S122-R126 PolarHBondContact O-N 3.05Å; E123-R126 PolarHBondContact O-N 2.64Å; E123-R126 VanDerWaalsContact O-N 3.11Å; E123-R126 IonicContact OE1-NH1 2.79Å; E123-R126 PolarHBondContact OE1-NH1 2.66Å; E123-R126 IonicContact OE2-CZ 3.93Å; E123-R126 IonicContact OE2-NH1 3.22Å; E123-R126 PolarHBondContact OE2-NH1 3.03Å; E123-R126 IonicContact OE2-NH2 3.33Å; E123-R126 PolarHBondContact OE2-NH2 3.39Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.41Å; R126-I129 PolarHBondContact O-N 3.25Å; R126-E130 WeakPolarHBondContact O-CG 3.27Å; R126-E130 PolarHBondContact O-N 3.1Å
127R94.7Very high94.4Very high117 Ų11747.3 Ų47.344%0.44223%0.231SC..Hα-helixtrans-62.6-39.3175.5-63.1-67.5-78.1-149.8-6.6112.5F97 L100 E123 W125 E130 V131F97-R127 HydrophobicContact CE1-CB 4.15Å; F97-R127 HydrophobicContact CE1-CG 3.93Å; L100-R127 HydrophobicContact CD1-CB 3.63Å; E123-R127 WeakPolarHBondContact O-CG 3.49Å; E123-R127 PolarHBondContact O-N 3.07Å; W125-R127 VanDerWaalsContact C-N 3.33Å; W125-R127 PolarHBondContact O-N 3.36Å; R127-E130 PolarHBondContact O-N 2.84Å; R127-V131 WeakPolarHBondContact O-CG2 3.44Å; R127-V131 PolarHBondContact O-N 3.46Å
128L96.1Very high94.4Very high0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-59.8-49.4174.3172.265.6000111F96 L100 L113 F119 P124 W125 R126 E130 V131 L132 L160F96-L128 HydrophobicContact CE1-CB 4.41Å; F96-L128 HydrophobicContact CZ-CB 4.25Å; F96-L128 HydrophobicContact CZ-CD1 4.41Å; F96-L128 HydrophobicContact CZ-CD2 4.29Å; L100-L128 HydrophobicContact CD1-CB 4.43Å; L100-L128 HydrophobicContact CD2-CB 4.08Å; L100-L128 HydrophobicContact CD2-CD1 3.59Å; L100-L128 HydrophobicContact CD2-CG 4.45Å; L113-L128 HydrophobicContact CD1-CD2 3.89Å; F119-L128 HydrophobicContact CE1-CD2 4.23Å; F119-L128 HydrophobicContact CZ-CD2 4.45Å; P124-L128 WeakPolarHBondContact O-CB 3.46Å; P124-L128 PolarHBondContact O-N 3.06Å; W125-L128 WeakPolarHBondContact O-CB 3.36Å; W125-L128 PolarHBondContact O-N 3.35Å; W125-L128 VanDerWaalsContact O-N 3.13Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.41Å; L128-E130 PolarHBondContact O-N 3Å; L128-V131 PolarHBondContact O-N 3.48Å; L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CD2 4.43Å; L128-L132 HydrophobicContact CD1-CG 4Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.38Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 2.8Å; L128-L160 HydrophobicContact CD2-CD1 3.85Å; L128-L160 HydrophobicContact CG-CD1 4.48Å
129I96.2Very high94.5Very high10 Ų1044.1 Ų44.15%0.05121%0.213CC..Hα-helixtrans-62-42.2179.5-63.1-52.3000111.6W125 R126 V131 L132 N133 Y139 L160W125-I129 HydrophobicContact CD2-CG1 3.97Å; W125-I129 HydrophobicContact CE3-CG1 4.36Å; W125-I129 HydrophobicContact CH2-CG1 4.03Å; W125-I129 HydrophobicContact CZ2-CD1 4.14Å; W125-I129 HydrophobicContact CZ2-CG1 3.64Å; W125-I129 HydrophobicContact CZ3-CG1 4.37Å; W125-I129 WeakPolarHBondContact O-CG1 3.39Å; W125-I129 PolarHBondContact O-N 3.36Å; R126-I129 PolarHBondContact O-N 3.25Å; I129-V131 PolarHBondContact O-N 3.27Å; I129-L132 HydrophobicContact CD1-CD1 4.5Å; I129-L132 PolarHBondContact O-N 3.17Å; I129-N133 WeakPolarHBondContact CG2-ND2 3.41Å; I129-N133 WeakPolarHBondContact O-CB 3.21Å; I129-N133 PolarHBondContact O-N 2.8Å; I129-N133 PolarHBondContact O-ND2 3.06Å; I129-Y139 HydrophobicContact CD1-CD2 4.23Å; I129-Y139 HydrophobicContact CD1-CE2 3.66Å; I129-Y139 WeakPolarHBondContact CG2-OH 3.4Å; I129-L160 HydrophobicContact CD1-CD1 4.04Å
130E96.2Very high94.6Very high104 Ų10445.9 Ų45.949%0.48622%0.219SC..Hα-helixtrans-57.3-48.2174.2-73.5168.6-168.800111.8R126 R127 L128 N133 S134R126-E130 WeakPolarHBondContact O-CG 3.27Å; R126-E130 PolarHBondContact O-N 3.1Å; R127-E130 PolarHBondContact O-N 2.84Å; L128-E130 PolarHBondContact O-N 3Å; E130-N133 PolarHBondContact O-N 3.48Å; E130-S134 WeakPolarHBondContact O-CB 3.18Å; E130-S134 PolarHBondContact O-N 2.95Å; E130-S134 PolarHBondContact O-OG 2.88Å
131V97.4Very high94.8Very high21 Ų2145.4 Ų45.413%0.12722%0.217CC..Hα-helixtrans-63.9-46.5178.6169.30000111.3L100 I103 R127 L128 I129 N133 S134 C135L100-V131 HydrophobicContact CB-CG2 4.24Å; I103-V131 HydrophobicContact CB-CG1 4.36Å; I103-V131 HydrophobicContact CG2-CG1 3.89Å; R127-V131 WeakPolarHBondContact O-CG2 3.44Å; R127-V131 PolarHBondContact O-N 3.46Å; L128-V131 PolarHBondContact O-N 3.48Å; I129-V131 PolarHBondContact O-N 3.27Å; V131-N133 VanDerWaalsContact C-N 3.34Å; V131-N133 PolarHBondContact O-N 2.65Å; V131-S134 WeakPolarHBondContact CA-OG 3.3Å; V131-S134 PolarHBondContact O-N 3.43Å; V131-S134 PolarHBondContact O-OG 2.83Å; V131-C135 WeakPolarHBondContact O-CB 3.35Å; V131-C135 PolarHBondContact O-N 3.24Å; V131-C135 PolarHBondContact O-SG 3Å
132L96.7Very high95Very high0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-59.3-44.5178.3-69.3178.1000111.7I111 L128 I129 C135 D136 Y137 Y139 L160 A162I111-L132 HydrophobicContact CD1-CD2 3.92Å; L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CD2 4.43Å; L128-L132 HydrophobicContact CD1-CG 4Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.38Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 2.8Å; I129-L132 HydrophobicContact CD1-CD1 4.5Å; I129-L132 PolarHBondContact O-N 3.17Å; L132-C135 PolarHBondContact O-N 3.25Å; L132-D136 PolarHBondContact O-N 3Å; L132-Y137 HydrophobicContact CD2-CD1 4.16Å; L132-Y137 HydrophobicContact CD2-CD2 3.83Å; L132-Y137 HydrophobicContact CD2-CE2 4.35Å; L132-Y137 HydrophobicContact CD2-CG 3.71Å; L132-Y137 PolarHBondContact O-N 3.35Å; L132-Y139 HydrophobicContact CB-CD1 4.11Å; L132-Y139 HydrophobicContact CB-CE1 4.34Å; L132-Y139 HydrophobicContact CD1-CD1 4.09Å; L132-Y139 HydrophobicContact CD1-CG 4.13Å; L132-L160 HydrophobicContact CD1-CD1 3.92Å; L132-L160 HydrophobicContact CD1-CD2 3.86Å; L132-A162 HydrophobicContact CD1-CB 4.2Å; L132-A162 HydrophobicContact CD2-CB 3.86Å
133N95.7Very high95.2Very high63 Ų6338.6 Ų38.634%0.33719%0.185SC..Hα-helixtrans-66-44.9177.3-77.7-36.7000112.3I129 E130 V131 C135 D136I129-N133 WeakPolarHBondContact CG2-ND2 3.41Å; I129-N133 WeakPolarHBondContact O-CB 3.21Å; I129-N133 PolarHBondContact O-N 2.8Å; I129-N133 PolarHBondContact O-ND2 3.06Å; E130-N133 PolarHBondContact O-N 3.48Å; V131-N133 VanDerWaalsContact C-N 3.34Å; V131-N133 PolarHBondContact O-N 2.65Å; N133-C135 PolarHBondContact O-N 3.1Å; N133-D136 PolarHBondContact O-N 3.44Å
134S96.8Very high95.5Very high90 Ų9034.6 Ų34.663%0.62917%0.167SC*.Hα-helixtrans-63.3-29.9179.372.20000113.4E130 V131E130-S134 WeakPolarHBondContact O-CB 3.18Å; E130-S134 PolarHBondContact O-N 2.95Å; E130-S134 PolarHBondContact O-OG 2.88Å; V131-S134 WeakPolarHBondContact CA-OG 3.3Å; V131-S134 PolarHBondContact O-N 3.43Å; V131-S134 PolarHBondContact O-OG 2.83Å
135C96.4Very high95.7Very high11 Ų1134.1 Ų34.17%0.07416%0.164CC..THydrogen-bonded Turntrans-94.55.7179.7-66.50000113.6K107 V131 L132 N133 Y137 L164K107-C135 HydrophobicContact CD-CB 4.46Å; K107-C135 HydrophobicContact CG-CB 4.4Å; V131-C135 WeakPolarHBondContact O-CB 3.35Å; V131-C135 PolarHBondContact O-N 3.24Å; V131-C135 PolarHBondContact O-SG 3Å; L132-C135 PolarHBondContact O-N 3.25Å; N133-C135 PolarHBondContact O-N 3.1Å; C135-Y137 HydrophobicContact CB-CD2 3.62Å; C135-Y137 HydrophobicContact CB-CE2 3.48Å; C135-Y137 VanDerWaalsContact CB-CE2 3.48Å; C135-L164 WeakPolarHBondContact O-CD1 3.47Å
136D94.6Very high95.9Very high61 Ų6132.5 Ų32.533%0.32616%0.157SC..THydrogen-bonded Turntrans56.448.2-178-164.837.4000114.5L132 N133 R165 K177L132-D136 PolarHBondContact O-N 3Å; N133-D136 PolarHBondContact O-N 3.44Å; D136-R165 WeakPolarHBondContact O-CB 3.49Å; D136-R165 PolarHBondContact O-N 2.66Å; D136-R165 VanDerWaalsContact O-N 3.09Å; D136-R165 IonicContact OD1-NE 4Å; D136-R165 PolarHBondContact OD1-NE 3.17Å; D136-R165 IonicContact OD1-NH2 3.18Å; D136-R165 WeakPolarHBondContact OD2-CB 3.25Å; D136-R165 WeakPolarHBondContact OD2-CD 3.38Å; D136-R165 IonicContact OD2-NE 3.99Å; D136-R165 PolarHBondContact OD2-NE 2.86Å; D136-K177 IonicContact OD1-NZ 3.5Å; D136-K177 PolarHBondContact OD1-NZ 2.98Å
137Y95.2Very high96.1Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-81145.7164.3-72-97.6000111.3I103 K107 P108 I111 L132 C135 A162 R163 L164I103-Y137 HydrophobicContact CG2-CE2 4.28Å; K107-Y137 VanDerWaalsContact CA-OH 3.24Å; K107-Y137 WeakPolarHBondContact CA-OH 3.15Å; P108-Y137 VanDerWaalsContact CD-OH 3.24Å; P108-Y137 WeakPolarHBondContact CD-OH 3.27Å; P108-Y137 WeakPolarHBondContact O-CE1 3.21Å; P108-Y137 PolarHBondContact O-OH 2.86Å; I111-Y137 HydrophobicContact CD1-CE1 3.92Å; I111-Y137 HydrophobicContact CG1-CE1 4.27Å; L132-Y137 HydrophobicContact CD2-CD1 4.16Å; L132-Y137 HydrophobicContact CD2-CD2 3.83Å; L132-Y137 HydrophobicContact CD2-CE2 4.35Å; L132-Y137 HydrophobicContact CD2-CG 3.71Å; L132-Y137 PolarHBondContact O-N 3.35Å; C135-Y137 HydrophobicContact CB-CD2 3.62Å; C135-Y137 HydrophobicContact CB-CE2 3.48Å; C135-Y137 VanDerWaalsContact CB-CE2 3.48Å; Y137-A162 HydrophobicContact CD1-CB 4.01Å; Y137-A162 HydrophobicContact CG-CB 4.49Å; Y137-R163 CarbonylContact C-O 3.56Å; Y137-R163 WeakPolarHBondContact CA-O 3.48Å; Y137-L164 HydrophobicContact CD1-CB 4.2Å; Y137-L164 HydrophobicContact CD1-CD1 4.44Å; Y137-L164 HydrophobicContact CD2-CD1 4.11Å; Y137-L164 HydrophobicContact CE1-CB 3.92Å; Y137-L164 HydrophobicContact CE1-CD1 4.23Å; Y137-L164 HydrophobicContact CE2-CD1 3.91Å; Y137-L164 HydrophobicContact CG-CD1 4.38Å
138E93.9Very high96.2Very high44 Ų4422.1 Ų22.121%0.20612%0.118CC..EExtended strand (participates in β ladder)trans-92.1141.9156.3-65.3-177.9142.900108.4A162 R163 R165 M175E138-A162 CarbonylContact O-C 3.6Å; E138-A162 WeakPolarHBondContact O-CA 3.49Å; E138-R163 PolarHBondContact N-O 3.34Å; E138-R163 PolarHBondContact O-N 3.3Å; E138-R165 IonicContact OE1-CZ 3.79Å; E138-R165 IonicContact OE1-NH1 3.77Å; E138-R165 PolarHBondContact OE1-NH1 2.95Å; E138-R165 IonicContact OE1-NH2 2.98Å; E138-R165 PolarHBondContact OE1-NH2 3.18Å; E138-M175 VanDerWaalsContact C-CG 3.45Å; E138-M175 HydrophobicContact CB-CB 3.77Å; E138-M175 HydrophobicContact CB-CG 3.71Å; E138-M175 WeakPolarHBondContact O-CG 3.4Å
139Y94.5Very high96.2Very high3 Ų322.1 Ų22.11%0.01212%0.118CC..EExtended strand (participates in β ladder)trans-149.1152.2-179.562.9-91.2000113.2I129 L132 Q141 L160 L161 G176 S178I129-Y139 HydrophobicContact CD1-CD2 4.23Å; I129-Y139 HydrophobicContact CD1-CE2 3.66Å; I129-Y139 WeakPolarHBondContact CG2-OH 3.4Å; L132-Y139 HydrophobicContact CB-CD1 4.11Å; L132-Y139 HydrophobicContact CB-CE1 4.34Å; L132-Y139 HydrophobicContact CD1-CD1 4.09Å; L132-Y139 HydrophobicContact CD1-CG 4.13Å; Y139-Q141 HydrophobicContact CD2-CG 4.08Å; Y139-Q141 HydrophobicContact CE2-CG 4.36Å; Y139-L160 HydrophobicContact CD2-CD1 4.36Å; Y139-L161 CarbonylContact C-O 3.52Å; Y139-L161 WeakPolarHBondContact CA-O 3.06Å; Y139-L161 VanDerWaalsContact CB-O 3.26Å; Y139-L161 WeakPolarHBondContact CB-O 3.35Å; Y139-G176 CarbonylContact C-O 3.55Å; Y139-G176 PolarHBondContact N-O 3.39Å; Y139-G176 VanDerWaalsContact N-O 3.13Å; Y139-S178 WeakPolarHBondContact CE2-O 3.48Å
140R94.6Very high96.3Very high44 Ų4421.7 Ų21.717%0.16612%0.116CC..EExtended strand (participates in β ladder)trans-126.3149.1168.5-77.4-165178.3-172.28.8110.4F142 L160 L161 F173 K174 M175R140-F142 HydrophobicContact CB-CE2 3.65Å; R140-F142 HydrophobicContact CB-CZ 3.53Å; R140-F142 HydrophobicContact CG-CZ 4.44Å; R140-L160 WeakPolarHBondContact O-CA 3.38Å; R140-L161 PolarHBondContact N-O 2.9Å; R140-L161 PolarHBondContact O-N 3.38Å; R140-F173 VanDerWaalsContact NH1-CE2 3.33Å; R140-K174 PolarHBondContact NE-O 3.34Å; R140-K174 PolarHBondContact NH2-O 2.9Å; R140-M175 HydrophobicContact CB-SD 3.84Å; R140-M175 HydrophobicContact CG-SD 3.9Å; R140-M175 PolarHBondContact N-SD 3.1Å; R140-M175 VanDerWaalsContact N-SD 3.44Å
141Q96.1Very high96.4Very high0 Ų016.9 Ų16.90%09%0.094CC..EExtended strand (participates in β ladder)trans-123.5142-176.2-57.1179.482.700109.2Y139 F158 Y159 L160 E179 I181 D182Y139-Q141 HydrophobicContact CD2-CG 4.08Å; Y139-Q141 HydrophobicContact CE2-CG 4.36Å; Q141-F158 HydrophobicContact CB-CE2 4.03Å; Q141-F158 HydrophobicContact CB-CZ 4.25Å; Q141-F158 HydrophobicContact CG-CE2 4.34Å; Q141-F158 HydrophobicContact CG-CZ 4.15Å; Q141-Y159 CarbonylContact C-O 3.53Å; Q141-Y159 WeakPolarHBondContact CA-O 3.38Å; Q141-L160 HydrophobicContact CG-CD1 4.04Å; Q141-L160 HydrophobicContact CG-CG 4.37Å; Q141-E179 PolarHBondContact NE2-O 3.44Å; Q141-E179 VanDerWaalsContact NE2-O 3.07Å; Q141-I181 HydrophobicContact CB-CB 4.45Å; Q141-I181 HydrophobicContact CB-CG1 3.99Å; Q141-I181 HydrophobicContact CB-CG2 4.47Å; Q141-D182 PolarHBondContact O-N 2.86Å
142F95.8Very high96.4Very high0 Ų015.9 Ų15.90%09%0.088CC..EExtended strand (participates in β ladder)trans-137.3146.6-177.9-46.6-96.6000111.2R140 L144 F158 Y159 L161 F173 D182 P186 L361R140-F142 HydrophobicContact CB-CE2 3.65Å; R140-F142 HydrophobicContact CB-CZ 3.53Å; R140-F142 HydrophobicContact CG-CZ 4.44Å; F142-L144 HydrophobicContact CB-CD1 3.85Å; F142-L144 HydrophobicContact CB-CD2 4.27Å; F142-L144 HydrophobicContact CB-CG 3.67Å; F142-L144 HydrophobicContact CD1-CD1 4.36Å; F142-L144 HydrophobicContact CG-CD1 4.2Å; F142-L144 HydrophobicContact CG-CG 4.49Å; F142-F158 CarbonylContact O-C 3.37Å; F142-F158 WeakPolarHBondContact O-CA 3.16Å; F142-Y159 PolarHBondContact N-O 3.43Å; F142-Y159 PolarHBondContact O-N 3.13Å; F142-L161 HydrophobicContact CE2-CD1 3.67Å; F142-L161 HydrophobicContact CE2-CG 3.97Å; F142-L161 HydrophobicContact CZ-CD1 4.21Å; F142-F173 HydrophobicContact CE1-CZ 4.18Å; F142-F173 HydrophobicContact CZ-CE1 4.02Å; F142-F173 AromaticContact CZ-CZ 3.71Å; F142-F173 HydrophobicContact CZ-CZ 3.71Å; F142-D182 CarbonylContact C-O 3.6Å; F142-D182 VanDerWaalsContact CA-O 3.24Å; F142-D182 WeakPolarHBondContact CA-O 3.44Å; F142-D182 HydrophobicContact CD1-CB 3.57Å; F142-D182 HydrophobicContact CE1-CB 3.94Å; F142-D182 HydrophobicContact CG-CB 4.44Å; F142-P186 HydrophobicContact CD1-CG 4.5Å; F142-P186 HydrophobicContact CE1-CG 3.67Å; F142-L361 HydrophobicContact CD2-CD2 3.67Å; F142-L361 HydrophobicContact CE2-CD2 3.96Å; F142-L361 HydrophobicContact CG-CD2 4.13Å
143L96.3Very high96.5Very high12 Ų1215.9 Ų15.96%0.0639%0.088CC..EExtended strand (participates in β ladder)trans-113.6100.6160.4-82.3168.6000107.5K117 L156 R157 F158 I181 D182 L183K117-L143 HydrophobicContact CB-CD2 4.08Å; K117-L143 HydrophobicContact CG-CD2 4.08Å; L143-L156 VanDerWaalsContact C-CD1 3.47Å; L143-L156 HydrophobicContact CB-CD1 3.91Å; L143-L156 HydrophobicContact CD2-CD1 4.43Å; L143-L156 HydrophobicContact CD2-CG 4.4Å; L143-R157 WeakPolarHBondContact CA-O 3.29Å; L143-F158 HydrophobicContact CD2-CB 4.14Å; L143-I181 HydrophobicContact CB-CG2 4.11Å; L143-I181 HydrophobicContact CD1-CG2 3.95Å; L143-I181 HydrophobicContact CG-CG2 3.74Å; L143-D182 PolarHBondContact N-O 3.39Å; L143-L183 HydrophobicContact CB-CD2 3.82Å; L143-L183 HydrophobicContact CD1-CD2 3.84Å; L143-L183 HydrophobicContact CG-CD2 4.42Å
144L97.1Very high96.5Very high0 Ų013.9 Ų13.90%08%0.079CC..EExtended strand (participates in β ladder)trans-119.1149-175.3-56.4174.2000112.2F142 Q148 F149 L156 R157 Y159 P185 V357 L361 W364F142-L144 HydrophobicContact CB-CD1 3.85Å; F142-L144 HydrophobicContact CB-CD2 4.27Å; F142-L144 HydrophobicContact CB-CG 3.67Å; F142-L144 HydrophobicContact CD1-CD1 4.36Å; F142-L144 HydrophobicContact CG-CD1 4.2Å; F142-L144 HydrophobicContact CG-CG 4.49Å; L144-Q148 VanDerWaalsContact CA-OE1 3.29Å; L144-F149 HydrophobicContact CB-CE2 4.35Å; L144-F149 HydrophobicContact CD1-CE2 4.48Å; L144-F149 HydrophobicContact CD1-CZ 4.25Å; L144-L156 WeakPolarHBondContact O-CA 3.26Å; L144-R157 PolarHBondContact N-O 2.88Å; L144-R157 PolarHBondContact O-N 3.19Å; L144-Y159 HydrophobicContact CB-CD2 4.05Å; L144-Y159 HydrophobicContact CB-CE2 3.82Å; L144-Y159 HydrophobicContact CD1-CD2 4.48Å; L144-Y159 HydrophobicContact CG-CD2 4.37Å; L144-P185 HydrophobicContact CD2-CG 4.34Å; L144-V357 HydrophobicContact CB-CG1 3.99Å; L144-V357 HydrophobicContact CD1-CG1 4.24Å; L144-L361 HydrophobicContact CD1-CD2 4.11Å; L144-L361 HydrophobicContact CD1-CG 4.47Å; L144-W364 HydrophobicContact CD1-CH2 4.25Å; L144-W364 HydrophobicContact CD1-CZ3 4Å
145S97.6Very high96.4Very high0 Ų09.9 Ų9.90%05%0.05CC..  trans-125.3143.7175.8-1800000110.2L147 Q148 F149S145-L147 PolarHBondContact O-N 2.9Å; S145-L147 PolarHBondContact OG-N 3.05Å; S145-Q148 WeakPolarHBondContact O-CB 3.45Å; S145-Q148 PolarHBondContact O-N 3.07Å; S145-F149 WeakPolarHBondContact O-CD2 3.29Å
146P98.2Very high96.4Very high0 Ų010.7 Ų10.70%05%0.053CC..G310 helixtrans-53.8-24.2172.7-25.433.6000114.2Q148 F149 G150 I151 N153 R155 N354 V357P146-Q148 PolarHBondContact O-N 3.45Å; P146-F149 CarbonylContact O-C 3.19Å; P146-F149 WeakPolarHBondContact O-CA 3.06Å; P146-F149 PolarHBondContact O-N 2.94Å; P146-G150 PolarHBondContact O-N 3.44Å; P146-I151 CarbonylContact C-O 3.58Å; P146-I151 HydrophobicContact CB-CB 3.75Å; P146-I151 HydrophobicContact CB-CG1 4.45Å; P146-I151 HydrophobicContact CB-CG2 4.09Å; P146-I151 WeakPolarHBondContact O-CB 3.49Å; P146-I151 PolarHBondContact O-N 2.9Å; P146-N153 WeakPolarHBondContact CD-O 3.3Å; P146-R155 VanDerWaalsContact CD-O 3.26Å; P146-R155 WeakPolarHBondContact CD-O 3.38Å; P146-R155 HydrophobicContact CG-CB 4.08Å; P146-N354 HydrophobicContact CG-CB 3.88Å; P146-N354 WeakPolarHBondContact CG-ND2 3.4Å; P146-V357 HydrophobicContact CB-CG2 4.38Å; P146-V357 HydrophobicContact CG-CG2 4.11Å
147L97.6Very high96.6Very high1 Ų19 Ų91%0.0054%0.042CC..G310 helixtrans-57-32.8173.3-66.1172.6000112.5S145 F149 G150 I151 C154 F214 C221 K262S145-L147 PolarHBondContact O-N 2.9Å; S145-L147 PolarHBondContact OG-N 3.05Å; L147-F149 PolarHBondContact O-N 3.41Å; L147-G150 PolarHBondContact O-N 2.76Å; L147-I151 WeakPolarHBondContact CA-O 3.45Å; L147-I151 WeakPolarHBondContact CD2-O 3.39Å; L147-I151 PolarHBondContact N-O 3.14Å; L147-C154 HydrophobicContact CD1-CB 3.82Å; L147-F214 HydrophobicContact CB-CB 4.15Å; L147-F214 HydrophobicContact CB-CG 4.34Å; L147-F214 HydrophobicContact CD1-CB 3.65Å; L147-F214 HydrophobicContact CD1-CD2 4.03Å; L147-F214 HydrophobicContact CD1-CG 3.96Å; L147-C221 PolarHBondContact O-SG 3.01Å; L147-C221 VanDerWaalsContact O-SG 3.34Å; L147-K262 HydrophobicContact CD2-CG 4.44Å
148Q96.7Very high96.7Very high0 Ų09 Ų90%04%0.042CC..G310 helixtrans-73.8-9.2177.2-59.3172.3-70.400112.7L144 S145 P146 L183 P185 T198 I204 F214 Y217L144-Q148 VanDerWaalsContact CA-OE1 3.29Å; S145-Q148 WeakPolarHBondContact O-CB 3.45Å; S145-Q148 PolarHBondContact O-N 3.07Å; P146-Q148 PolarHBondContact O-N 3.45Å; Q148-L183 PolarHBondContact NE2-O 3.41Å; Q148-P185 HydrophobicContact CB-CG 4.18Å; Q148-T198 PolarHBondContact O-OG1 3.33Å; Q148-I204 WeakPolarHBondContact O-CD1 3.43Å; Q148-F214 HydrophobicContact CG-CD1 3.8Å; Q148-F214 HydrophobicContact CG-CE1 3.81Å; Q148-Y217 HydrophobicContact CB-CD1 4.23Å; Q148-Y217 HydrophobicContact CB-CE1 4.12Å; Q148-Y217 HydrophobicContact CG-CD1 3.99Å; Q148-Y217 HydrophobicContact CG-CD2 4.48Å; Q148-Y217 HydrophobicContact CG-CE1 3.77Å; Q148-Y217 HydrophobicContact CG-CE2 4.3Å; Q148-Y217 HydrophobicContact CG-CG 4.32Å
149F97.3Very high96.9Very high1 Ų17 Ų70%0.0043%0.033CC..G310 helixtrans-113.112.1177.2-58-97.4000111.5L144 S145 P146 L147 P185 C197 T198 L356 V357 H360 W364L144-F149 HydrophobicContact CB-CE2 4.35Å; L144-F149 HydrophobicContact CD1-CE2 4.48Å; L144-F149 HydrophobicContact CD1-CZ 4.25Å; S145-F149 WeakPolarHBondContact O-CD2 3.29Å; P146-F149 CarbonylContact O-C 3.19Å; P146-F149 WeakPolarHBondContact O-CA 3.06Å; P146-F149 PolarHBondContact O-N 2.94Å; L147-F149 PolarHBondContact O-N 3.41Å; F149-P185 HydrophobicContact CE1-CG 4.37Å; F149-P185 HydrophobicContact CE2-CG 4.24Å; F149-P185 HydrophobicContact CZ-CG 3.9Å; F149-C197 HydrophobicContact CB-CB 4.27Å; F149-C197 WeakPolarHBondContact O-CB 3.23Å; F149-T198 WeakPolarHBondContact CA-OG1 3.37Å; F149-L356 HydrophobicContact CB-CD2 3.74Å; F149-L356 HydrophobicContact CB-CG 4.35Å; F149-V357 HydrophobicContact CD2-CG2 3.69Å; F149-V357 HydrophobicContact CE2-CB 4.28Å; F149-V357 HydrophobicContact CE2-CG1 3.95Å; F149-V357 HydrophobicContact CE2-CG2 3.76Å; F149-V357 HydrophobicContact CG-CG2 4.4Å; F149-V357 HydrophobicContact CZ-CG1 4.24Å; F149-H360 AromaticContact CD1-CD2 3.64Å; F149-H360 AromaticContact CD1-NE2 3.7Å; F149-H360 HydrophobicContact CE1-CB 3.97Å; F149-H360 AromaticContact CE1-CD2 3.59Å; F149-H360 AromaticContact CE1-CG 3.62Å; F149-H360 AromaticContact CE1-ND1 3.97Å; F149-H360 AromaticContact CE1-NE2 3.92Å; F149-W364 HydrophobicContact CE1-CH2 4.33Å; F149-W364 HydrophobicContact CE1-CZ2 4.38Å; F149-W364 HydrophobicContact CZ-CH2 4.1Å
150G97.4Very high97Very high1 Ų16.8 Ų6.81%0.013%0.032CC..THydrogen-bonded Turntrans79.917.6176.300000113.8P146 L147 T198 C221 R222P146-G150 PolarHBondContact O-N 3.44Å; L147-G150 PolarHBondContact O-N 2.76Å; G150-T198 PolarHBondContact N-OG1 3.34Å; G150-C221 WeakPolarHBondContact O-CA 3.25Å; G150-R222 PolarHBondContact O-N 3.49Å
151I98.4Very high97Very high2 Ų24.7 Ų4.71%0.012%0.024CC..  trans-102.5127.6179.2-51.4-58.3000109P146 L147 N153 F227 M327 L356P146-I151 CarbonylContact C-O 3.58Å; P146-I151 HydrophobicContact CB-CB 3.75Å; P146-I151 HydrophobicContact CB-CG1 4.45Å; P146-I151 HydrophobicContact CB-CG2 4.09Å; P146-I151 WeakPolarHBondContact O-CB 3.49Å; P146-I151 PolarHBondContact O-N 2.9Å; L147-I151 WeakPolarHBondContact CA-O 3.45Å; L147-I151 WeakPolarHBondContact CD2-O 3.39Å; L147-I151 PolarHBondContact N-O 3.14Å; I151-N153 PolarHBondContact O-N 2.96Å; I151-F227 HydrophobicContact CD1-CE1 4.34Å; I151-F227 HydrophobicContact CD1-CZ 4.16Å; I151-F227 HydrophobicContact CG2-CE1 4.16Å; I151-F227 HydrophobicContact CG2-CZ 4.25Å; I151-M327 WeakPolarHBondContact CG2-O 3.32Å; I151-L356 HydrophobicContact CD1-CD2 3.86Å; I151-L356 HydrophobicContact CG1-CD2 3.68Å
152P98Very high97Very high0 Ų04.7 Ų4.70%02%0.024CC..SBendtrans-77.854.3-17234.8-38.7000112.7C221 R222 I224 F227 K261 T263P152-C221 HydrophobicContact CB-CB 4.5Å; P152-R222 WeakPolarHBondContact CB-O 3.17Å; P152-R222 VanDerWaalsContact CG-O 3.28Å; P152-R222 WeakPolarHBondContact CG-O 3.42Å; P152-I224 HydrophobicContact CB-CG1 4.25Å; P152-I224 HydrophobicContact CG-CG1 4.3Å; P152-F227 HydrophobicContact CG-CD2 3.69Å; P152-F227 HydrophobicContact CG-CE2 3.39Å; P152-F227 HydrophobicContact CG-CZ 4.01Å; P152-K261 VanDerWaalsContact CB-O 3.3Å; P152-K261 WeakPolarHBondContact CB-O 3.25Å; P152-T263 WeakPolarHBondContact O-CB 3.46Å; P152-T263 PolarHBondContact O-N 3.02Å; P152-T263 PolarHBondContact O-OG1 3.33Å
153N98Very high96.9Very high1 Ų15.7 Ų5.71%0.0053%0.028CC..EExtended strand (participates in β ladder)trans-137.3114.1176.4-171.7-127.7000112.3P146 I151 R155 T263 R264 F266 M327P146-N153 WeakPolarHBondContact CD-O 3.3Å; I151-N153 PolarHBondContact O-N 2.96Å; N153-R155 VanDerWaalsContact C-N 3.31Å; N153-R155 PolarHBondContact O-N 3.02Å; N153-R155 WeakPolarHBondContact OD1-CB 3.4Å; N153-T263 WeakPolarHBondContact CA-OG1 3.32Å; N153-T263 PolarHBondContact ND2-OG1 3.23Å; N153-R264 PolarHBondContact ND2-O 3.12Å; N153-F266 WeakPolarHBondContact ND2-CD2 3.46Å; N153-M327 HydrophobicContact CB-CB 4.42Å
154C96Very high96.8Very high21 Ų216.2 Ų6.214%0.1423%0.031CC..EExtended strand (participates in β ladder)trans-76.280.4177.6-170.20000110.5L147 T263 C265L147-C154 HydrophobicContact CD1-CB 3.82Å; C154-T263 WeakPolarHBondContact CB-O 3.25Å; C154-T263 PolarHBondContact N-O 3.35Å; C154-C265 VanDerWaalsContact O-CA 3.26Å; C154-C265 WeakPolarHBondContact O-CA 3.4Å; C154-C265 WeakPolarHBondContact O-CB 3.39Å; C154-C265 PolarHBondContact O-N 3.18Å; C154-C265 VanDerWaalsContact O-N 3.1Å
155R95.9Very high96.5Very high5 Ų511.5 Ų11.52%0.0195%0.051CC..  trans-122.673.9179.8-173.7-176.4-176.5842.3110.1P146 N153 R157 F266 G350 S352P146-R155 VanDerWaalsContact CD-O 3.26Å; P146-R155 WeakPolarHBondContact CD-O 3.38Å; P146-R155 HydrophobicContact CG-CB 4.08Å; N153-R155 VanDerWaalsContact C-N 3.31Å; N153-R155 PolarHBondContact O-N 3.02Å; N153-R155 WeakPolarHBondContact OD1-CB 3.4Å; R155-R157 HydrophobicContact CG-CG 4.13Å; R155-R157 VanDerWaalsContact NH2-NH2 3.14Å; R155-R157 PolarHBondContact O-N 2.91Å; R155-F266 PolarHBondContact NH1-O 3.26Å; R155-F266 VanDerWaalsContact NH1-O 3.11Å; R155-G350 PolarHBondContact NH1-O 2.99Å; R155-G350 PolarHBondContact NH2-O 3.42Å; R155-S352 PolarHBondContact NE-O 3.33Å; R155-S352 PolarHBondContact NH2-O 3.5Å
156L96.3Very high96.1Very high28 Ų2816.4 Ų16.415%0.1479%0.085CC..  trans-68.9125.6174.6-174.553.3000110.7K117 L143 L144 F214K117-L156 HydrophobicContact CD-CD2 3.71Å; K117-L156 HydrophobicContact CD-CG 4.39Å; L143-L156 VanDerWaalsContact C-CD1 3.47Å; L143-L156 HydrophobicContact CB-CD1 3.91Å; L143-L156 HydrophobicContact CD2-CD1 4.43Å; L143-L156 HydrophobicContact CD2-CG 4.4Å; L144-L156 WeakPolarHBondContact O-CA 3.26Å; L156-F214 HydrophobicContact CB-CE2 4.33Å; L156-F214 HydrophobicContact CB-CZ 4.42Å; L156-F214 HydrophobicContact CD1-CE2 4.46Å; L156-F214 HydrophobicContact CD1-CZ 3.75Å; L156-F214 HydrophobicContact CD2-CE2 4.13Å; L156-F214 HydrophobicContact CD2-CZ 4.02Å; L156-F214 HydrophobicContact CG-CZ 4.28Å
157R97.3Very high95.5Very high27 Ų2717.5 Ų17.510%0.1029%0.092CC..EExtended strand (participates in β ladder)trans-137.8148.3-178.3-69.1-60.7-175.9-89.82.9111.4E114 N115 L143 L144 R155 Y159 C265E114-R157 HydrophobicContact CG-CB 4.35Å; E114-R157 WeakPolarHBondContact OE1-CD 3.45Å; E114-R157 WeakPolarHBondContact OE1-CG 3.37Å; E114-R157 IonicContact OE1-NE 2.99Å; E114-R157 PolarHBondContact OE1-NE 2.92Å; N115-R157 CarbonylContact O-C 3.57Å; N115-R157 WeakPolarHBondContact O-CA 3.08Å; N115-R157 WeakPolarHBondContact O-CB 3.4Å; N115-R157 VanDerWaalsContact O-CD 3.24Å; N115-R157 WeakPolarHBondContact O-CD 3.43Å; L143-R157 WeakPolarHBondContact CA-O 3.29Å; L144-R157 PolarHBondContact N-O 2.88Å; L144-R157 PolarHBondContact O-N 3.19Å; R155-R157 HydrophobicContact CG-CG 4.13Å; R155-R157 VanDerWaalsContact NH2-NH2 3.14Å; R155-R157 PolarHBondContact O-N 2.91Å; R157-Y159 HydrophobicContact CB-CD2 4.34Å; R157-Y159 HydrophobicContact CB-CE1 4.32Å; R157-Y159 HydrophobicContact CB-CE2 3.56Å; R157-Y159 VanDerWaalsContact O-CD2 3.24Å; R157-Y159 WeakPolarHBondContact O-CD2 3.2Å; R157-Y159 VanDerWaalsContact O-CE2 3.27Å; R157-Y159 WeakPolarHBondContact O-CE2 2.99Å; R157-C265 PolarHBondContact NH2-SG 3.21Å; R157-C265 VanDerWaalsContact NH2-SG 3.38Å
158F97.2Very high94.6Very high0 Ų023.1 Ų23.10%013%0.132CC..EExtended strand (participates in β ladder)trans-79134.2170.1176.3-91.5000108.8L113 E114 N115 F119 E120 W125 Q141 F142 L143 L160 I181L113-F158 HydrophobicContact CD2-CD1 3.9Å; L113-F158 HydrophobicContact CD2-CE1 3.86Å; E114-F158 CarbonylContact C-O 3.52Å; E114-F158 WeakPolarHBondContact CA-O 3.4Å; N115-F158 HydrophobicContact CB-CD1 4.43Å; N115-F158 PolarHBondContact N-O 2.89Å; N115-F158 PolarHBondContact O-N 2.9Å; F119-F158 HydrophobicContact CB-CB 4.46Å; F119-F158 AromaticContact CD1-CD1 3.49Å; F119-F158 HydrophobicContact CD1-CD1 3.49Å; F119-F158 VanDerWaalsContact CD1-CD1 3.49Å; F119-F158 AromaticContact CD1-CE1 3.59Å; F119-F158 HydrophobicContact CD1-CE1 3.59Å; F119-F158 HydrophobicContact CD1-CG 4.11Å; F119-F158 HydrophobicContact CD1-CZ 4.28Å; F119-F158 HydrophobicContact CE1-CD1 4.11Å; F119-F158 AromaticContact CE1-CE1 3.82Å; F119-F158 HydrophobicContact CE1-CE1 3.82Å; F119-F158 HydrophobicContact CG-CD1 4.42Å; E120-F158 HydrophobicContact CB-CD2 3.87Å; E120-F158 HydrophobicContact CB-CE2 3.86Å; W125-F158 AromaticContact CD1-CZ 3.65Å; W125-F158 AromaticContact NE1-CE2 3.9Å; W125-F158 AromaticContact NE1-CZ 3.58Å; Q141-F158 HydrophobicContact CB-CE2 4.03Å; Q141-F158 HydrophobicContact CB-CZ 4.25Å; Q141-F158 HydrophobicContact CG-CE2 4.34Å; Q141-F158 HydrophobicContact CG-CZ 4.15Å; F142-F158 CarbonylContact O-C 3.37Å; F142-F158 WeakPolarHBondContact O-CA 3.16Å; L143-F158 HydrophobicContact CD2-CB 4.14Å; F158-L160 HydrophobicContact CE1-CB 3.72Å; F158-L160 HydrophobicContact CZ-CB 3.97Å; F158-L160 HydrophobicContact CZ-CD1 4.27Å; F158-I181 HydrophobicContact CE2-CD1 4.37Å
159Y97.8Very high93.7Very high0 Ų025.8 Ų25.80%014%0.142CC..EExtended strand (participates in β ladder)trans-130.6142.2173.6-56.4-87.1000109.6L113 E114 Q141 F142 L144 R157 V357 V358 L361L113-Y159 CarbonylContact O-C 3.56Å; L113-Y159 VanDerWaalsContact O-CA 3.25Å; L113-Y159 WeakPolarHBondContact O-CA 3.45Å; E114-Y159 HydrophobicContact CB-CD1 3.9Å; E114-Y159 HydrophobicContact CB-CE1 3.97Å; E114-Y159 HydrophobicContact CG-CD1 3.76Å; E114-Y159 HydrophobicContact CG-CE1 3.39Å; Q141-Y159 CarbonylContact C-O 3.53Å; Q141-Y159 WeakPolarHBondContact CA-O 3.38Å; F142-Y159 PolarHBondContact N-O 3.43Å; F142-Y159 PolarHBondContact O-N 3.13Å; L144-Y159 HydrophobicContact CB-CD2 4.05Å; L144-Y159 HydrophobicContact CB-CE2 3.82Å; L144-Y159 HydrophobicContact CD1-CD2 4.48Å; L144-Y159 HydrophobicContact CG-CD2 4.37Å; R157-Y159 HydrophobicContact CB-CD2 4.34Å; R157-Y159 HydrophobicContact CB-CE1 4.32Å; R157-Y159 HydrophobicContact CB-CE2 3.56Å; R157-Y159 VanDerWaalsContact O-CD2 3.24Å; R157-Y159 WeakPolarHBondContact O-CD2 3.2Å; R157-Y159 VanDerWaalsContact O-CE2 3.27Å; R157-Y159 WeakPolarHBondContact O-CE2 2.99Å; Y159-V357 HydrophobicContact CE1-CG1 4.31Å; Y159-V357 HydrophobicContact CE2-CG1 3.76Å; Y159-V358 HydrophobicContact CE1-CG2 3.83Å; Y159-L361 HydrophobicContact CD1-CD1 3.21Å; Y159-L361 HydrophobicContact CD2-CD1 3.89Å; Y159-L361 HydrophobicContact CE1-CD1 3.74Å; Y159-L361 HydrophobicContact CE2-CD1 4.36Å; Y159-L361 HydrophobicContact CG-CD1 3.28Å
160L97.2Very high92.4Very high0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-130.6131.5172.1-179.4152.4000109.5I112 L113 L128 I129 L132 Y139 R140 Q141 F158 A162I112-L160 WeakPolarHBondContact CA-O 3.41Å; L113-L160 HydrophobicContact CB-CB 4.36Å; L113-L160 PolarHBondContact N-O 3Å; L113-L160 PolarHBondContact O-N 2.81Å; L128-L160 HydrophobicContact CD2-CD1 3.85Å; L128-L160 HydrophobicContact CG-CD1 4.48Å; I129-L160 HydrophobicContact CD1-CD1 4.04Å; L132-L160 HydrophobicContact CD1-CD1 3.92Å; L132-L160 HydrophobicContact CD1-CD2 3.86Å; Y139-L160 HydrophobicContact CD2-CD1 4.36Å; R140-L160 WeakPolarHBondContact O-CA 3.38Å; Q141-L160 HydrophobicContact CG-CD1 4.04Å; Q141-L160 HydrophobicContact CG-CG 4.37Å; F158-L160 HydrophobicContact CE1-CB 3.72Å; F158-L160 HydrophobicContact CZ-CB 3.97Å; F158-L160 HydrophobicContact CZ-CD1 4.27Å; L160-A162 HydrophobicContact CD2-CB 3.87Å
161L96Very high91Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-112.3126.5171.6-55.5173.1000107.2I112 Y139 R140 F142 F173 M175 L361 A365I112-L161 HydrophobicContact CB-CD2 4.21Å; I112-L161 HydrophobicContact CD1-CD2 3.76Å; I112-L161 HydrophobicContact CG1-CD2 3.71Å; Y139-L161 CarbonylContact C-O 3.52Å; Y139-L161 WeakPolarHBondContact CA-O 3.06Å; Y139-L161 VanDerWaalsContact CB-O 3.26Å; Y139-L161 WeakPolarHBondContact CB-O 3.35Å; R140-L161 PolarHBondContact N-O 2.9Å; R140-L161 PolarHBondContact O-N 3.38Å; F142-L161 HydrophobicContact CE2-CD1 3.67Å; F142-L161 HydrophobicContact CE2-CG 3.97Å; F142-L161 HydrophobicContact CZ-CD1 4.21Å; L161-F173 HydrophobicContact CD1-CE1 4.25Å; L161-M175 HydrophobicContact CB-CE 3.8Å; L161-M175 HydrophobicContact CB-SD 4.05Å; L161-L361 HydrophobicContact CD1-CB 4.28Å; L161-L361 HydrophobicContact CD1-CD2 3.79Å; L161-L361 WeakPolarHBondContact CD1-O 3.4Å; L161-L361 HydrophobicContact CD2-CB 3.91Å; L161-L361 HydrophobicContact CD2-CD2 4.34Å; L161-L361 HydrophobicContact CG-CD2 4.15Å; L161-A365 HydrophobicContact CB-CB 4.27Å; L161-A365 HydrophobicContact CD1-CB 4.06Å; L161-A365 HydrophobicContact CD2-CB 4.03Å; L161-A365 HydrophobicContact CG-CB 4.33Å
162A95.6Very high89.7Confident0 Ų039.3 Ų39.30%022%0.216CC..EExtended strand (participates in β ladder)trans-131.1146.4174.300000111.8G110 I111 L132 Y137 E138 L160G110-A162 CarbonylContact C-O 3.54Å; G110-A162 WeakPolarHBondContact CA-O 3.44Å; I111-A162 HydrophobicContact CB-CB 4.22Å; I111-A162 PolarHBondContact N-O 2.84Å; I111-A162 PolarHBondContact O-N 3.15Å; L132-A162 HydrophobicContact CD1-CB 4.2Å; L132-A162 HydrophobicContact CD2-CB 3.86Å; Y137-A162 HydrophobicContact CD1-CB 4.01Å; Y137-A162 HydrophobicContact CG-CB 4.49Å; E138-A162 CarbonylContact O-C 3.6Å; E138-A162 WeakPolarHBondContact O-CA 3.49Å; L160-A162 HydrophobicContact CD2-CB 3.87Å
163R94Very high88.9Confident20 Ų2039.4 Ų39.48%0.07522%0.216CC..EExtended strand (participates in β ladder)trans-137134.5178-72.3178.352.8-156.6-17.8109.7A109 Y137 E138 R165 W169 M175 A365 F366A109-R163 WeakPolarHBondContact O-CA 3.37Å; Y137-R163 CarbonylContact C-O 3.56Å; Y137-R163 WeakPolarHBondContact CA-O 3.48Å; E138-R163 PolarHBondContact N-O 3.34Å; E138-R163 PolarHBondContact O-N 3.3Å; R163-R165 PolarHBondContact O-N 2.92Å; R163-W169 VanDerWaalsContact CZ-CB 3.49Å; R163-W169 PolarHBondContact NH2-O 3.2Å; R163-M175 HydrophobicContact CG-CE 4.24Å; R163-A365 WeakPolarHBondContact CD-O 3.5Å; R163-F366 HydrophobicContact CG-CE1 4.05Å
164L94.2Very high88.1Confident23 Ų2346.8 Ų46.812%0.1225%0.248CC..EExtended strand (participates in β ladder)trans-67.6131.2175.4-169.366.2000108.8K107 A109 C135 Y137 S166 S167K107-L164 HydrophobicContact CB-CD2 4.3Å; A109-L164 PolarHBondContact O-N 3.2Å; C135-L164 WeakPolarHBondContact O-CD1 3.47Å; Y137-L164 HydrophobicContact CD1-CB 4.2Å; Y137-L164 HydrophobicContact CD1-CD1 4.44Å; Y137-L164 HydrophobicContact CD2-CD1 4.11Å; Y137-L164 HydrophobicContact CE1-CB 3.92Å; Y137-L164 HydrophobicContact CE1-CD1 4.23Å; Y137-L164 HydrophobicContact CE2-CD1 3.91Å; Y137-L164 HydrophobicContact CG-CD1 4.38Å; L164-S166 VanDerWaalsContact CD2-OG 3.23Å; L164-S166 WeakPolarHBondContact CD2-OG 3.24Å; L164-S166 WeakPolarHBondContact CG-OG 3.32Å; L164-S166 PolarHBondContact O-N 3.11Å; L164-S167 WeakPolarHBondContact O-CB 3.42Å; L164-S167 PolarHBondContact O-N 2.74Å; L164-S167 PolarHBondContact O-OG 3.26Å
165R90.5Very high87.4Confident112 Ų11246.2 Ų46.242%0.42324%0.244SC..THydrogen-bonded Turntrans-58.8-34-177.5-177.2179.9-59.5-69.6-15.9113D136 E138 R163 S167D136-R165 WeakPolarHBondContact O-CB 3.49Å; D136-R165 PolarHBondContact O-N 2.66Å; D136-R165 VanDerWaalsContact O-N 3.09Å; D136-R165 IonicContact OD1-NE 4Å; D136-R165 PolarHBondContact OD1-NE 3.17Å; D136-R165 IonicContact OD1-NH2 3.18Å; D136-R165 WeakPolarHBondContact OD2-CB 3.25Å; D136-R165 WeakPolarHBondContact OD2-CD 3.38Å; D136-R165 IonicContact OD2-NE 3.99Å; D136-R165 PolarHBondContact OD2-NE 2.86Å; E138-R165 IonicContact OE1-CZ 3.79Å; E138-R165 IonicContact OE1-NH1 3.77Å; E138-R165 PolarHBondContact OE1-NH1 2.95Å; E138-R165 IonicContact OE1-NH2 2.98Å; E138-R165 PolarHBondContact OE1-NH2 3.18Å; R163-R165 PolarHBondContact O-N 2.92Å; R165-S167 PolarHBondContact O-N 3.06Å
166S88.8Confident86.3Confident103 Ų10347.4 Ų47.472%0.7226%0.257SS*.THydrogen-bonded Turntrans-74.1-5.5176.5600000114L164L164-S166 VanDerWaalsContact CD2-OG 3.23Å; L164-S166 WeakPolarHBondContact CD2-OG 3.24Å; L164-S166 WeakPolarHBondContact CG-OG 3.32Å; L164-S166 PolarHBondContact O-N 3.11Å
167S85.4Confident84.8Confident22 Ų2251.4 Ų51.415%0.15427%0.274CS..  trans-70.2137.5177.770.60000111.4L164 R165 W169L164-S167 WeakPolarHBondContact O-CB 3.42Å; L164-S167 PolarHBondContact O-N 2.74Å; L164-S167 PolarHBondContact O-OG 3.26Å; R165-S167 PolarHBondContact O-N 3.06Å; S167-W169 PolarHBondContact O-N 2.88Å
168S78.6Confident83.5Confident120 Ų12052.2 Ų52.284%0.83928%0.283SS*.  trans-79.623.9179.965.10000113.9N170S168-N170 PolarHBondContact O-N 3.23Å
169W77.3Confident82.5Confident55 Ų5558.4 Ų58.421%0.20831%0.312CS..  trans-78.1120.8-178.1-92.8-57.4000111.2V69 A109 R163 S167 S171 F366V69-W169 HydrophobicContact CG2-CH2 3.45Å; V69-W169 VanDerWaalsContact CG2-CH2 3.45Å; V69-W169 HydrophobicContact CG2-CZ2 3.95Å; V69-W169 HydrophobicContact CG2-CZ3 4.38Å; A109-W169 VanDerWaalsContact C-CZ3 3.48Å; A109-W169 HydrophobicContact CB-CE3 4.22Å; A109-W169 HydrophobicContact CB-CH2 3.77Å; A109-W169 HydrophobicContact CB-CZ3 3.31Å; R163-W169 VanDerWaalsContact CZ-CB 3.49Å; R163-W169 PolarHBondContact NH2-O 3.2Å; S167-W169 PolarHBondContact O-N 2.88Å; W169-S171 PolarHBondContact O-N 2.99Å; W169-F366 HydrophobicContact CZ3-CD1 4.5Å; W169-F366 HydrophobicContact CZ3-CE1 4.44Å
170N70.1Confident82.2Confident142 Ų14261.3 Ų61.376%0.75933%0.333SS*.  trans-92.695.2168.3-65.9-23.4000107.6S168S168-N170 PolarHBondContact O-N 3.23Å
171S69.6Low82Confident24 Ų2463.3 Ų63.317%0.16834%0.343CS..  trans-109.8138.8166.6172.40000108.5W169 F173 W364W169-S171 PolarHBondContact O-N 2.99Å; S171-F173 PolarHBondContact O-N 3.28Å; S171-F173 WeakPolarHBondContact OG-CB 3.49Å; S171-F173 PolarHBondContact OG-N 2.84Å; S171-W364 PolarHBondContact OG-O 2.83Å
172N69.8Low81.9Confident122 Ų12265.8 Ų65.865%0.65236%0.356SS*.SBendtrans-66.6-19172-65.5-44.9000112.2K174N172-K174 PolarHBondContact O-N 2.64Å
173F81.2Confident81.8Confident2 Ų270 Ų701%0.00938%0.378CS..SBendtrans-79.5111.8176.6-170.5-116.5000110.8R140 F142 L161 S171 M175 P186 A189 W364R140-F173 VanDerWaalsContact NH1-CE2 3.33Å; F142-F173 HydrophobicContact CE1-CZ 4.18Å; F142-F173 HydrophobicContact CZ-CE1 4.02Å; F142-F173 AromaticContact CZ-CZ 3.71Å; F142-F173 HydrophobicContact CZ-CZ 3.71Å; L161-F173 HydrophobicContact CD1-CE1 4.25Å; S171-F173 PolarHBondContact O-N 3.28Å; S171-F173 WeakPolarHBondContact OG-CB 3.49Å; S171-F173 PolarHBondContact OG-N 2.84Å; F173-M175 HydrophobicContact CD1-CE 4.06Å; F173-M175 HydrophobicContact CE1-CE 4.27Å; F173-M175 HydrophobicContact CE1-SD 4.46Å; F173-M175 PolarHBondContact O-N 3.17Å; F173-M175 VanDerWaalsContact O-N 3.07Å; F173-P186 HydrophobicContact CE2-CB 3.83Å; F173-P186 HydrophobicContact CE2-CG 3.62Å; F173-P186 HydrophobicContact CZ-CB 4.49Å; F173-P186 HydrophobicContact CZ-CG 3.82Å; F173-A189 HydrophobicContact CD2-CB 4.11Å; F173-A189 HydrophobicContact CE2-CB 4.12Å; F173-W364 HydrophobicContact CB-CB 4.4Å; F173-W364 WeakPolarHBondContact CB-O 3.45Å; F173-W364 HydrophobicContact CD1-CB 3.9Å; F173-W364 HydrophobicContact CD2-CB 4.3Å; F173-W364 HydrophobicContact CE1-CB 4.22Å; F173-W364 HydrophobicContact CG-CB 3.93Å
174K81.5Confident81.7Confident156 Ų15673 Ų7368%0.67839%0.389SS*.  trans-70.9103.5-177.5-69.1-176.1179.9178.40111.5R140 N172 G176R140-K174 PolarHBondContact NE-O 3.34Å; R140-K174 PolarHBondContact NH2-O 2.9Å; N172-K174 PolarHBondContact O-N 2.64Å; K174-G176 PolarHBondContact O-N 2.63Å; K174-G176 VanDerWaalsContact O-N 3.14Å
175M80.7Confident81.5Confident10 Ų1072.5 Ų72.55%0.04939%0.388CS..  trans-72.5104.3167.4-1486567.300108E138 R140 L161 R163 F173 A365E138-M175 VanDerWaalsContact C-CG 3.45Å; E138-M175 HydrophobicContact CB-CB 3.77Å; E138-M175 HydrophobicContact CB-CG 3.71Å; E138-M175 WeakPolarHBondContact O-CG 3.4Å; R140-M175 HydrophobicContact CB-SD 3.84Å; R140-M175 HydrophobicContact CG-SD 3.9Å; R140-M175 PolarHBondContact N-SD 3.1Å; R140-M175 VanDerWaalsContact N-SD 3.44Å; L161-M175 HydrophobicContact CB-CE 3.8Å; L161-M175 HydrophobicContact CB-SD 4.05Å; R163-M175 HydrophobicContact CG-CE 4.24Å; F173-M175 HydrophobicContact CD1-CE 4.06Å; F173-M175 HydrophobicContact CE1-CE 4.27Å; F173-M175 HydrophobicContact CE1-SD 4.46Å; F173-M175 PolarHBondContact O-N 3.17Å; F173-M175 VanDerWaalsContact O-N 3.07Å; M175-A365 HydrophobicContact CE-CB 4.31Å
176G72.7Confident81.5Confident29 Ų2968.1 Ų68.130%0.29937%0.374SS..  trans-84.4177.4175.500000111.2Y139 K174Y139-G176 CarbonylContact C-O 3.55Å; Y139-G176 PolarHBondContact N-O 3.39Å; Y139-G176 VanDerWaalsContact N-O 3.13Å; K174-G176 PolarHBondContact O-N 2.63Å; K174-G176 VanDerWaalsContact O-N 3.14Å
177K66.2Low81.3Confident113 Ų11369.4 Ų69.449%0.49137%0.371SS..EExtended strand (participates in β ladder)trans-94.595.8153.9-75.3-173176.31750106.7D136D136-K177 IonicContact OD1-NZ 3.5Å; D136-K177 PolarHBondContact OD1-NZ 2.98Å
178S68.8Low81.1Confident43 Ų4372.9 Ų72.930%0.30139%0.388SS..EExtended strand (participates in β ladder)trans-132.2123.3172.6-163.30000110.8Y139 S180Y139-S178 WeakPolarHBondContact CE2-O 3.48Å; S178-S180 WeakPolarHBondContact CB-OG 3.5Å; S178-S180 PolarHBondContact O-N 3.42Å; S178-S180 WeakPolarHBondContact OG-CB 3.34Å; S178-S180 PolarHBondContact OG-N 2.84Å; S178-S180 VanDerWaalsContact OG-N 3.12Å; S178-S180 PolarHBondContact OG-OG 2.96Å
179E77.4Confident81.5Confident131 Ų13168 Ų6861%0.61236%0.355SS*.EExtended strand (participates in β ladder)trans-71.3-10.1165.4-66.7-175.9-174.600111.8Q141Q141-E179 PolarHBondContact NE2-O 3.44Å; Q141-E179 VanDerWaalsContact NE2-O 3.07Å
180S90.8Very high82.1Confident61 Ų6166.9 Ų66.943%0.42736%0.355SS..EExtended strand (participates in β ladder)trans-63148.817474.50000111.5S178S178-S180 WeakPolarHBondContact CB-OG 3.5Å; S178-S180 PolarHBondContact O-N 3.42Å; S178-S180 WeakPolarHBondContact OG-CB 3.34Å; S178-S180 PolarHBondContact OG-N 2.84Å; S178-S180 VanDerWaalsContact OG-N 3.12Å; S178-S180 PolarHBondContact OG-OG 2.96Å
181I93.2Very high83.1Confident42 Ų4265.7 Ų65.722%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-111.4117.4176.8-57.5174000107.6E120 Q141 L143 F158 L183E120-I181 HydrophobicContact CB-CD1 3.43Å; E120-I181 VanDerWaalsContact CB-CD1 3.43Å; E120-I181 HydrophobicContact CG-CD1 3.58Å; Q141-I181 HydrophobicContact CB-CB 4.45Å; Q141-I181 HydrophobicContact CB-CG1 3.99Å; Q141-I181 HydrophobicContact CB-CG2 4.47Å; L143-I181 HydrophobicContact CB-CG2 4.11Å; L143-I181 HydrophobicContact CD1-CG2 3.95Å; L143-I181 HydrophobicContact CG-CG2 3.74Å; F158-I181 HydrophobicContact CE2-CD1 4.37Å; I181-L183 HydrophobicContact CG2-CD2 4.43Å; I181-L183 PolarHBondContact O-N 3.1Å
182D92.8Very high84.3Confident51 Ų5165 Ų6527%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-72.5118.7176.7-70-43.8000109.5Q141 F142 L143 R184Q141-D182 PolarHBondContact O-N 2.86Å; F142-D182 CarbonylContact C-O 3.6Å; F142-D182 VanDerWaalsContact CA-O 3.24Å; F142-D182 WeakPolarHBondContact CA-O 3.44Å; F142-D182 HydrophobicContact CD1-CB 3.57Å; F142-D182 HydrophobicContact CE1-CB 3.94Å; F142-D182 HydrophobicContact CG-CB 4.44Å; L143-D182 PolarHBondContact N-O 3.39Å; D182-R184 VanDerWaalsContact C-N 3.26Å
183L93.3Very high85.4Confident90 Ų9062.1 Ų62.147%0.47133%0.329SS..SBendtrans-86.10.5178.7-56.3-176.2000112.8L143 Q148 I181L143-L183 HydrophobicContact CB-CD2 3.82Å; L143-L183 HydrophobicContact CD1-CD2 3.84Å; L143-L183 HydrophobicContact CG-CD2 4.42Å; Q148-L183 PolarHBondContact NE2-O 3.41Å; I181-L183 HydrophobicContact CG2-CD2 4.43Å; I181-L183 PolarHBondContact O-N 3.1Å
184R91.8Very high86Confident82 Ų8265.9 Ų65.931%0.30937%0.368SS..SBendtrans-138.8153-175.8-65-171.8-70.7115.15.1110.6D182 I207 E208 Y217D182-R184 VanDerWaalsContact C-N 3.26Å; R184-I207 WeakPolarHBondContact CD-O 3.43Å; R184-I207 PolarHBondContact NH1-O 3.16Å; R184-E208 PolarHBondContact NE-O 3.24Å; R184-Y217 WeakPolarHBondContact CG-OH 3.48Å
185P91.9Very high86.7Confident13 Ų1359.6 Ų59.68%0.08434%0.343CS..  trans-54132.2163.7-24.135.2000109.9L144 Q148 F149 W364L144-P185 HydrophobicContact CD2-CG 4.34Å; Q148-P185 HydrophobicContact CB-CG 4.18Å; F149-P185 HydrophobicContact CE1-CG 4.37Å; F149-P185 HydrophobicContact CE2-CG 4.24Å; F149-P185 HydrophobicContact CZ-CG 3.9Å; P185-W364 HydrophobicContact CB-CH2 3.87Å; P185-W364 HydrophobicContact CB-CZ2 4.23Å
186P89.1Confident87.3Confident19 Ų1967.9 Ų67.912%0.12338%0.382CS..  trans-65.3137.1-178.8-21.634.3000111.5F142 F173 D188 A189F142-P186 HydrophobicContact CD1-CG 4.5Å; F142-P186 HydrophobicContact CE1-CG 3.67Å; F173-P186 HydrophobicContact CE2-CB 3.83Å; F173-P186 HydrophobicContact CE2-CG 3.62Å; F173-P186 HydrophobicContact CZ-CB 4.49Å; F173-P186 HydrophobicContact CZ-CG 3.82Å; P186-D188 VanDerWaalsContact CB-OD1 3.31Å; P186-D188 WeakPolarHBondContact CB-OD1 3.37Å; P186-D188 PolarHBondContact O-N 3.3Å; P186-A189 HydrophobicContact CB-CB 4Å; P186-A189 HydrophobicContact CG-CB 4.37Å; P186-A189 WeakPolarHBondContact O-CB 3.42Å; P186-A189 PolarHBondContact O-N 3.4Å; P186-A189 VanDerWaalsContact O-N 3.17Å
187I84.6Confident88.5Confident131 Ų13167 Ų6767%0.67237%0.371SS*.THydrogen-bonded Turntrans-66-31.3-177.9-61.4171.2000111.1
188D82.4Confident89.8Confident94 Ų9462.4 Ų62.450%0.50335%0.353SS..THydrogen-bonded Turntrans-87-1.4178.665.7-34000113.6P186P186-D188 VanDerWaalsContact CB-OD1 3.31Å; P186-D188 WeakPolarHBondContact CB-OD1 3.37Å; P186-D188 PolarHBondContact O-N 3.3Å
189A87.3Confident90.9Very high18 Ų1861.9 Ų61.915%0.14935%0.349CS..SBendtrans-70.6139.5-178.700000111.3F173 P186 W364F173-A189 HydrophobicContact CD2-CB 4.11Å; F173-A189 HydrophobicContact CE2-CB 4.12Å; P186-A189 HydrophobicContact CB-CB 4Å; P186-A189 HydrophobicContact CG-CB 4.37Å; P186-A189 WeakPolarHBondContact O-CB 3.42Å; P186-A189 PolarHBondContact O-N 3.4Å; P186-A189 VanDerWaalsContact O-N 3.17Å; A189-W364 HydrophobicContact CB-CD2 3.97Å; A189-W364 HydrophobicContact CB-CG 4.01Å; A189-W364 HydrophobicContact CB-CZ2 4.23Å
190P89Confident91.7Very high32 Ų3256 Ų5621%0.20832%0.322CS..PPolyproline II helixtrans-67.8146-179.730.9-36.7000110.9Y363 W364P190-Y363 HydrophobicContact CB-CD1 4.49Å; P190-Y363 HydrophobicContact CB-CE1 3.8Å; P190-Y363 HydrophobicContact CG-CD1 4.1Å; P190-Y363 HydrophobicContact CG-CE1 3.83Å; P190-W364 PolarHBondContact O-NE1 2.81Å
191M91.9Very high91.8Very high116 Ų11656.3 Ų56.357%0.57132%0.324SS*.PPolyproline II helixtrans-68.8132.9176.5-67.2175.859.900110.5C200 Y363M191-C200 HydrophobicContact CE-CB 3.96Å; M191-C200 WeakPolarHBondContact CE-O 3.35Å; M191-Y363 WeakPolarHBondContact O-CE1 3.42Å
192L94.1Very high91.5Very high10 Ų1055.9 Ų55.95%0.05233%0.33CS..PPolyproline II helixtrans-63.5125.3173.5177.466.8000109.2S20 G194 C195 Y363S20-L192 WeakPolarHBondContact O-CD1 3.4Å; L192-G194 PolarHBondContact O-N 3.38Å; L192-C195 HydrophobicContact CB-CB 3.69Å; L192-C195 HydrophobicContact CD2-CB 3.96Å; L192-C195 HydrophobicContact CG-CB 3.92Å; L192-C195 WeakPolarHBondContact O-CB 3.5Å; L192-C195 PolarHBondContact O-N 3.44Å; L192-Y363 HydrophobicContact CD1-CD1 4.38Å; L192-Y363 HydrophobicContact CD1-CD2 4.19Å; L192-Y363 HydrophobicContact CD1-CG 3.85Å
193P93.7Very high91.4Very high62 Ų6256.7 Ų56.740%0.40334%0.336SS..THydrogen-bonded Turntrans-58.2129.5-174.4-27.837000112.4T21 C195 Y363T21-P193 HydrophobicContact CG2-CB 4.33Å; P193-C195 PolarHBondContact O-N 3.12Å; P193-Y363 VanDerWaalsContact CD-CE2 3.5Å; P193-Y363 VanDerWaalsContact CD-CZ 3.45Å; P193-Y363 HydrophobicContact CG-CE2 3.79Å
194G93.7Very high91.2Very high81 Ų8153 Ų5384%0.83532%0.317SS*.THydrogen-bonded Turntrans73.9-2.2-178.200000115.3L192L192-G194 PolarHBondContact O-N 3.38Å
195C95.9Very high91.1Very high23 Ų2352.8 Ų52.816%0.15533%0.328CS..  trans-78.2134.4179.3-173.50000111.8L192 P193 C197 C200L192-C195 HydrophobicContact CB-CB 3.69Å; L192-C195 HydrophobicContact CD2-CB 3.96Å; L192-C195 HydrophobicContact CG-CB 3.92Å; L192-C195 WeakPolarHBondContact O-CB 3.5Å; L192-C195 PolarHBondContact O-N 3.44Å; P193-C195 PolarHBondContact O-N 3.12Å; C195-C197 VanDerWaalsContact SG-CB 3.6Å; C195-C200 HydrophobicContact CB-CB 4.46Å; C195-C200 WeakPolarHBondContact O-CB 3.28Å
196Q93.8Very high91Very high184 Ų18457.4 Ų57.486%0.8635%0.348SS*.  trans-115.221.1179.3-60.8179.5-4.600112.3
197C96.1Very high91Very high12 Ų1256.5 Ų56.58%0.08134%0.343CS..SBendtrans-66.3163.3178.8820000111.3F149 C195 S199 C200 S201 L356 H360F149-C197 HydrophobicContact CB-CB 4.27Å; F149-C197 WeakPolarHBondContact O-CB 3.23Å; C195-C197 VanDerWaalsContact SG-CB 3.6Å; C197-S199 PolarHBondContact O-N 2.98Å; C197-C200 PolarHBondContact O-N 3.23Å; C197-C200 PolarHBondContact SG-N 2.95Å; C197-S201 PolarHBondContact O-N 2.87Å; C197-S201 PolarHBondContact O-OG 3.13Å; C197-L356 HydrophobicContact CB-CD2 3.99Å; C197-H360 PolarHBondContact SG-NE2 3.46Å
198T94.2Very high91Very high16 Ų1657.1 Ų57.110%0.09834%0.342CS..THydrogen-bonded Turntrans-61.1-30.1-177.754.10000113.7Q148 F149 G150 S201 G202 V203 I204 F220Q148-T198 PolarHBondContact O-OG1 3.33Å; F149-T198 WeakPolarHBondContact CA-OG1 3.37Å; G150-T198 PolarHBondContact N-OG1 3.34Å; T198-S201 WeakPolarHBondContact CA-OG 3.42Å; T198-S201 PolarHBondContact O-OG 2.92Å; T198-G202 PolarHBondContact O-N 3.18Å; T198-V203 PolarHBondContact O-N 2.78Å; T198-I204 WeakPolarHBondContact O-CG1 3.18Å; T198-F220 HydrophobicContact CG2-CB 3.91Å; T198-F220 VanDerWaalsContact CG2-O 3.27Å; T198-F220 WeakPolarHBondContact CG2-O 3.33Å
199S92.8Very high91.2Very high31 Ų3159 Ų5922%0.21735%0.348CS..THydrogen-bonded Turntrans-70.1-43.2174.51740000111.1C197 G202C197-S199 PolarHBondContact O-N 2.98Å; S199-G202 PolarHBondContact O-N 2.79Å
200C93.6Very high91.2Very high9 Ų960 Ų606%0.06135%0.352CS..THydrogen-bonded Turntrans-67.7-39.1176-83.90000113M191 C195 C197 G202 H360M191-C200 HydrophobicContact CE-CB 3.96Å; M191-C200 WeakPolarHBondContact CE-O 3.35Å; C195-C200 HydrophobicContact CB-CB 4.46Å; C195-C200 WeakPolarHBondContact O-CB 3.28Å; C197-C200 PolarHBondContact O-N 3.23Å; C197-C200 PolarHBondContact SG-N 2.95Å; C200-G202 PolarHBondContact O-N 3.37Å; C200-H360 PolarHBondContact SG-CE1 3.22Å
201S91.8Very high91.2Very high67 Ų6761.6 Ų61.647%0.46936%0.359SS..THydrogen-bonded Turntrans-74.6-3.9179.561.80000113.7C197 T198 V203C197-S201 PolarHBondContact O-N 2.87Å; C197-S201 PolarHBondContact O-OG 3.13Å; T198-S201 WeakPolarHBondContact CA-OG 3.42Å; T198-S201 PolarHBondContact O-OG 2.92Å; S201-V203 PolarHBondContact O-N 3.14Å; S201-V203 VanDerWaalsContact O-N 3.13Å; S201-V203 VanDerWaalsContact OG-CG2 3.25Å; S201-V203 WeakPolarHBondContact OG-CG2 3.33Å
202G88.5Confident90.8Very high32 Ų3261.6 Ų61.633%0.3336%0.361SS..THydrogen-bonded Turntrans69.92-17900000114.4T198 S199 C200 I204 S205T198-G202 PolarHBondContact O-N 3.18Å; S199-G202 PolarHBondContact O-N 2.79Å; C200-G202 PolarHBondContact O-N 3.37Å; G202-I204 PolarHBondContact O-N 2.95Å; G202-S205 VanDerWaalsContact O-CB 3.25Å; G202-S205 WeakPolarHBondContact O-CB 3.42Å; G202-S205 PolarHBondContact O-N 3.47Å; G202-S205 PolarHBondContact O-OG 2.9Å
203V90.3Very high90.4Very high68 Ų6864.8 Ų64.841%0.41238%0.379SS..THydrogen-bonded Turntrans-62.5-30.9-173.6177.20000111.7T198 S201 H206 F220T198-V203 PolarHBondContact O-N 2.78Å; S201-V203 PolarHBondContact O-N 3.14Å; S201-V203 VanDerWaalsContact O-N 3.13Å; S201-V203 VanDerWaalsContact OG-CG2 3.25Å; S201-V203 WeakPolarHBondContact OG-CG2 3.33Å; V203-H206 PolarHBondContact O-CE1 3.05Å; V203-H206 PolarHBondContact O-ND1 3.16Å; V203-F220 HydrophobicContact CG1-CD1 3.5Å; V203-F220 VanDerWaalsContact CG1-CD1 3.5Å; V203-F220 HydrophobicContact CG1-CE1 3.69Å; V203-F220 HydrophobicContact CG1-CG 4.28Å
204I89.9Confident90.4Very high14 Ų1462.1 Ų62.17%0.07236%0.36CS..THydrogen-bonded Turntrans-956.1178.758.3150.7000114.1Q148 T198 G202 H206 I207 Y217 F220Q148-I204 WeakPolarHBondContact O-CD1 3.43Å; T198-I204 WeakPolarHBondContact O-CG1 3.18Å; G202-I204 PolarHBondContact O-N 2.95Å; I204-H206 PolarHBondContact O-N 2.67Å; I204-I207 HydrophobicContact CB-CD1 3.94Å; I204-I207 HydrophobicContact CB-CG1 4.49Å; I204-I207 HydrophobicContact CG2-CD1 3.99Å; I204-I207 WeakPolarHBondContact O-CB 3.42Å; I204-I207 PolarHBondContact O-N 3.1Å; I204-I207 VanDerWaalsContact O-N 3.07Å; I204-Y217 HydrophobicContact CB-CD1 4.34Å; I204-Y217 HydrophobicContact CB-CE1 4.3Å; I204-Y217 HydrophobicContact CD1-CD1 4.13Å; I204-Y217 HydrophobicContact CD1-CE1 3.79Å; I204-Y217 HydrophobicContact CG2-CD1 4.14Å; I204-F220 HydrophobicContact CG2-CB 4.08Å; I204-F220 HydrophobicContact CG2-CD2 3.71Å; I204-F220 HydrophobicContact CG2-CE2 4.39Å; I204-F220 HydrophobicContact CG2-CG 3.98Å
205S87.8Confident90.4Very high77 Ų7762 Ų6254%0.53834%0.344SS..THydrogen-bonded Turntrans-61.5-24.9-176.557.40000114.1G202 I207G202-S205 VanDerWaalsContact O-CB 3.25Å; G202-S205 WeakPolarHBondContact O-CB 3.42Å; G202-S205 PolarHBondContact O-N 3.47Å; G202-S205 PolarHBondContact O-OG 2.9Å; S205-I207 VanDerWaalsContact C-N 3.3Å; S205-I207 PolarHBondContact O-N 3.28Å
206H89.7Confident90.4Very high109 Ų10965 Ų6551%0.50536%0.355SS..THydrogen-bonded Turntrans-78-10178.265.4-85.2000113.8V203 I204 E208 F220V203-H206 PolarHBondContact O-CE1 3.05Å; V203-H206 PolarHBondContact O-ND1 3.16Å; I204-H206 PolarHBondContact O-N 2.67Å; H206-E208 PolarHBondContact O-N 3.42Å; H206-F220 AromaticContact CE1-CE2 3.95Å; H206-F220 AromaticContact CE1-CZ 3.54Å; H206-F220 AromaticContact NE2-CE2 3.96Å; H206-F220 AromaticContact NE2-CZ 3.7Å
207I90.1Very high90.5Very high1 Ų156.3 Ų56.31%0.00532%0.315CS..  trans-79107178.9-58.6177.2000108.8R184 I204 S205 H209 E216 Y217 F220R184-I207 WeakPolarHBondContact CD-O 3.43Å; R184-I207 PolarHBondContact NH1-O 3.16Å; I204-I207 HydrophobicContact CB-CD1 3.94Å; I204-I207 HydrophobicContact CB-CG1 4.49Å; I204-I207 HydrophobicContact CG2-CD1 3.99Å; I204-I207 WeakPolarHBondContact O-CB 3.42Å; I204-I207 PolarHBondContact O-N 3.1Å; I204-I207 VanDerWaalsContact O-N 3.07Å; S205-I207 VanDerWaalsContact C-N 3.3Å; S205-I207 PolarHBondContact O-N 3.28Å; I207-H209 WeakPolarHBondContact CG2-O 3.49Å; I207-E216 HydrophobicContact CD1-CB 3.96Å; I207-E216 HydrophobicContact CG1-CB 4.28Å; I207-E216 HydrophobicContact CG2-CB 4.09Å; I207-Y217 HydrophobicContact CB-CE1 4.34Å; I207-Y217 HydrophobicContact CD1-CD1 3.59Å; I207-Y217 HydrophobicContact CD1-CD2 4.34Å; I207-Y217 HydrophobicContact CD1-CE1 3.7Å; I207-Y217 HydrophobicContact CD1-CE2 4.43Å; I207-Y217 HydrophobicContact CD1-CG 3.95Å; I207-Y217 HydrophobicContact CG2-CE1 4.19Å; I207-Y217 HydrophobicContact CG2-CE2 3.8Å; I207-F220 HydrophobicContact CD1-CD2 4.19Å; I207-F220 HydrophobicContact CD1-CE2 3.98Å
208E85.5Confident90.5Very high143 Ų14357.7 Ų57.767%0.66832%0.321SS*.  trans-87.6-32.3-177.7-63.4-174.3168.500112.5R184 H206R184-E208 PolarHBondContact NE-O 3.24Å; H206-E208 PolarHBondContact O-N 3.42Å
209H85.9Confident90.5Very high135 Ų13562.6 Ų62.663%0.62534%0.343SS*.  trans-116.9146.2-175.4-61.3-67.2000111.7I207I207-H209 WeakPolarHBondContact CG2-O 3.49Å
210T87.4Confident90.7Very high37 Ų3763.6 Ų63.623%0.22734%0.344CS..  trans-128.4107.1178.7-61.20000108.4F214 Y217T210-F214 HydrophobicContact CG2-CD1 3.62Å; T210-F214 HydrophobicContact CG2-CE1 3.41Å; T210-F214 VanDerWaalsContact CG2-CE1 3.41Å; T210-F214 HydrophobicContact CG2-CG 4.44Å; T210-F214 HydrophobicContact CG2-CZ 4.1Å; T210-Y217 HydrophobicContact CG2-CE2 3.86Å; T210-Y217 WeakPolarHBondContact OG1-CE2 3.24Å; T210-Y217 PolarHBondContact OG1-OH 2.81Å
211D89Confident90.9Very high66 Ų6663.3 Ų63.335%0.35334%0.341SS..  trans-75.5166171.472.733.5000111.5N213 F214 T215D211-N213 PolarHBondContact O-N 2.86Å; D211-N213 VanDerWaalsContact O-N 3.07Å; D211-N213 VanDerWaalsContact OD1-CA 3.22Å; D211-N213 WeakPolarHBondContact OD1-CA 3.01Å; D211-N213 WeakPolarHBondContact OD1-CB 3.24Å; D211-N213 PolarHBondContact OD1-N 2.8Å; D211-F214 PolarHBondContact O-N 3.2Å; D211-F214 VanDerWaalsContact O-N 3.15Å; D211-F214 WeakPolarHBondContact OD1-CA 3.17Å; D211-F214 PolarHBondContact OD1-N 2.92Å; D211-T215 PolarHBondContact OD1-N 3.13Å; D211-T215 VanDerWaalsContact OD1-N 3.08Å; D211-T215 PolarHBondContact OD1-OG1 3.39Å; D211-T215 WeakPolarHBondContact OD2-CB 3.4Å; D211-T215 PolarHBondContact OD2-OG1 3.43Å
212D82.6Confident91.2Very high117 Ų11764.9 Ų64.963%0.62634%0.337SS*.THydrogen-bonded Turntrans-62.1-16.3179.9-85.5-36.6000113.9K117K117-D212 IonicContact NZ-OD1 3.88Å; K117-D212 PolarHBondContact NZ-OD1 2.81Å
213N87.1Confident91.7Very high77 Ų7764.8 Ų64.841%0.41233%0.33SS..THydrogen-bonded Turntrans-101.9-4.9-178.5-74.2-51000113.7D211 T215 K262D211-N213 PolarHBondContact O-N 2.86Å; D211-N213 VanDerWaalsContact O-N 3.07Å; D211-N213 VanDerWaalsContact OD1-CA 3.22Å; D211-N213 WeakPolarHBondContact OD1-CA 3.01Å; D211-N213 WeakPolarHBondContact OD1-CB 3.24Å; D211-N213 PolarHBondContact OD1-N 2.8Å; N213-T215 PolarHBondContact O-N 2.84Å; N213-K262 PolarHBondContact O-NZ 3.34Å
214F93.6Very high92Very high5 Ų561.5 Ų61.52%0.02231%0.311CS..  trans53.636.7-173.2-62-96.6000113.1L147 Q148 L156 T210 D211 E216 Y217 I218L147-F214 HydrophobicContact CB-CB 4.15Å; L147-F214 HydrophobicContact CB-CG 4.34Å; L147-F214 HydrophobicContact CD1-CB 3.65Å; L147-F214 HydrophobicContact CD1-CD2 4.03Å; L147-F214 HydrophobicContact CD1-CG 3.96Å; Q148-F214 HydrophobicContact CG-CD1 3.8Å; Q148-F214 HydrophobicContact CG-CE1 3.81Å; L156-F214 HydrophobicContact CB-CE2 4.33Å; L156-F214 HydrophobicContact CB-CZ 4.42Å; L156-F214 HydrophobicContact CD1-CE2 4.46Å; L156-F214 HydrophobicContact CD1-CZ 3.75Å; L156-F214 HydrophobicContact CD2-CE2 4.13Å; L156-F214 HydrophobicContact CD2-CZ 4.02Å; L156-F214 HydrophobicContact CG-CZ 4.28Å; T210-F214 HydrophobicContact CG2-CD1 3.62Å; T210-F214 HydrophobicContact CG2-CE1 3.41Å; T210-F214 VanDerWaalsContact CG2-CE1 3.41Å; T210-F214 HydrophobicContact CG2-CG 4.44Å; T210-F214 HydrophobicContact CG2-CZ 4.1Å; D211-F214 PolarHBondContact O-N 3.2Å; D211-F214 VanDerWaalsContact O-N 3.15Å; D211-F214 WeakPolarHBondContact OD1-CA 3.17Å; D211-F214 PolarHBondContact OD1-N 2.92Å; F214-E216 VanDerWaalsContact C-N 3.31Å; F214-E216 PolarHBondContact O-N 2.79Å; F214-Y217 HydrophobicContact CB-CD2 3.88Å; F214-Y217 HydrophobicContact CB-CG 4.49Å; F214-Y217 AromaticContact CD1-CD2 3.87Å; F214-Y217 HydrophobicContact CD1-CD2 3.87Å; F214-Y217 HydrophobicContact CD1-CE2 4.06Å; F214-Y217 HydrophobicContact CG-CD2 4.39Å; F214-Y217 WeakPolarHBondContact O-CB 3.27Å; F214-Y217 PolarHBondContact O-N 3.39Å; F214-I218 PolarHBondContact O-N 3.37Å
215T93.4Very high92.4Very high80 Ų8063.8 Ų63.849%0.49133%0.328SS..Hα-helixtrans-52.5-46.5-168.7-51.30000112.9D211 N213 Y217 I218D211-T215 PolarHBondContact OD1-N 3.13Å; D211-T215 VanDerWaalsContact OD1-N 3.08Å; D211-T215 PolarHBondContact OD1-OG1 3.39Å; D211-T215 WeakPolarHBondContact OD2-CB 3.4Å; D211-T215 PolarHBondContact OD2-OG1 3.43Å; N213-T215 PolarHBondContact O-N 2.84Å; T215-Y217 PolarHBondContact O-N 2.63Å; T215-I218 PolarHBondContact O-N 3.17Å
216E94.4Very high92.8Very high84 Ų8465.3 Ų65.339%0.39333%0.327SS..Hα-helixtrans-65.1-25.7-179-65.6-174.1-129.300113.8I207 F214 Q219 F220I207-E216 HydrophobicContact CD1-CB 3.96Å; I207-E216 HydrophobicContact CG1-CB 4.28Å; I207-E216 HydrophobicContact CG2-CB 4.09Å; F214-E216 VanDerWaalsContact C-N 3.31Å; F214-E216 PolarHBondContact O-N 2.79Å; E216-Q219 PolarHBondContact O-NE2 3.07Å; E216-F220 WeakPolarHBondContact O-CD2 3.32Å; E216-F220 VanDerWaalsContact O-CE2 3.31Å; E216-F220 WeakPolarHBondContact O-CE2 3.24Å
217Y96.3Very high93.2Very high2 Ų260.4 Ų60.41%0.00830%0.304CS..Hα-helixtrans-82.7-24.4-178.9-61.4-89.3000113.2Q148 R184 I204 I207 T210 F214 T215 Q219 F220 C221Q148-Y217 HydrophobicContact CB-CD1 4.23Å; Q148-Y217 HydrophobicContact CB-CE1 4.12Å; Q148-Y217 HydrophobicContact CG-CD1 3.99Å; Q148-Y217 HydrophobicContact CG-CD2 4.48Å; Q148-Y217 HydrophobicContact CG-CE1 3.77Å; Q148-Y217 HydrophobicContact CG-CE2 4.3Å; Q148-Y217 HydrophobicContact CG-CG 4.32Å; R184-Y217 WeakPolarHBondContact CG-OH 3.48Å; I204-Y217 HydrophobicContact CB-CD1 4.34Å; I204-Y217 HydrophobicContact CB-CE1 4.3Å; I204-Y217 HydrophobicContact CD1-CD1 4.13Å; I204-Y217 HydrophobicContact CD1-CE1 3.79Å; I204-Y217 HydrophobicContact CG2-CD1 4.14Å; I207-Y217 HydrophobicContact CB-CE1 4.34Å; I207-Y217 HydrophobicContact CD1-CD1 3.59Å; I207-Y217 HydrophobicContact CD1-CD2 4.34Å; I207-Y217 HydrophobicContact CD1-CE1 3.7Å; I207-Y217 HydrophobicContact CD1-CE2 4.43Å; I207-Y217 HydrophobicContact CD1-CG 3.95Å; I207-Y217 HydrophobicContact CG2-CE1 4.19Å; I207-Y217 HydrophobicContact CG2-CE2 3.8Å; T210-Y217 HydrophobicContact CG2-CE2 3.86Å; T210-Y217 WeakPolarHBondContact OG1-CE2 3.24Å; T210-Y217 PolarHBondContact OG1-OH 2.81Å; F214-Y217 HydrophobicContact CB-CD2 3.88Å; F214-Y217 HydrophobicContact CB-CG 4.49Å; F214-Y217 AromaticContact CD1-CD2 3.87Å; F214-Y217 HydrophobicContact CD1-CD2 3.87Å; F214-Y217 HydrophobicContact CD1-CE2 4.06Å; F214-Y217 HydrophobicContact CG-CD2 4.39Å; F214-Y217 WeakPolarHBondContact O-CB 3.27Å; F214-Y217 PolarHBondContact O-N 3.39Å; T215-Y217 PolarHBondContact O-N 2.63Å; Y217-Q219 VanDerWaalsContact C-N 3.28Å; Y217-Q219 PolarHBondContact O-N 3.12Å; Y217-F220 PolarHBondContact O-N 2.96Å; Y217-C221 PolarHBondContact O-N 3.23Å; Y217-C221 PolarHBondContact O-SG 3.31Å
218I95.9Very high93.4Very high42 Ų4261.9 Ų61.922%0.21531%0.311CS..Hα-helixtrans-58.8-40.7-170.9-65.3170.7000111.3F214 T215 F220 C221 K261 K262F214-I218 PolarHBondContact O-N 3.37Å; T215-I218 PolarHBondContact O-N 3.17Å; I218-F220 PolarHBondContact O-N 3.03Å; I218-C221 WeakPolarHBondContact O-CB 3.49Å; I218-C221 PolarHBondContact O-N 2.86Å; I218-C221 VanDerWaalsContact O-N 3.08Å; I218-K261 HydrophobicContact CG2-CB 3.98Å; I218-K261 WeakPolarHBondContact O-CB 3.04Å; I218-K261 WeakPolarHBondContact O-CD 3.37Å; I218-K262 HydrophobicContact CD1-CD 3.5Å; I218-K262 HydrophobicContact CG1-CD 3.97Å; I218-K262 HydrophobicContact CG2-CB 4.37Å
219Q95.7Very high93.8Very high119 Ų11956.6 Ų56.656%0.55629%0.288SS*.THydrogen-bonded Turntrans-61.6-29.2-178.866.4-173.5-45.900113.2E216 Y217 K261E216-Q219 PolarHBondContact O-NE2 3.07Å; Y217-Q219 VanDerWaalsContact C-N 3.28Å; Y217-Q219 PolarHBondContact O-N 3.12Å; Q219-K261 PolarHBondContact O-NZ 3.34Å
220F96.6Very high93.9Very high52 Ų5253.5 Ų53.523%0.22828%0.278CS..THydrogen-bonded Turntrans-88.7-8.5179.9-53.4-67.7000113.1T198 V203 I204 H206 I207 E216 Y217 I218T198-F220 HydrophobicContact CG2-CB 3.91Å; T198-F220 VanDerWaalsContact CG2-O 3.27Å; T198-F220 WeakPolarHBondContact CG2-O 3.33Å; V203-F220 HydrophobicContact CG1-CD1 3.5Å; V203-F220 VanDerWaalsContact CG1-CD1 3.5Å; V203-F220 HydrophobicContact CG1-CE1 3.69Å; V203-F220 HydrophobicContact CG1-CG 4.28Å; I204-F220 HydrophobicContact CG2-CB 4.08Å; I204-F220 HydrophobicContact CG2-CD2 3.71Å; I204-F220 HydrophobicContact CG2-CE2 4.39Å; I204-F220 HydrophobicContact CG2-CG 3.98Å; H206-F220 AromaticContact CE1-CE2 3.95Å; H206-F220 AromaticContact CE1-CZ 3.54Å; H206-F220 AromaticContact NE2-CE2 3.96Å; H206-F220 AromaticContact NE2-CZ 3.7Å; I207-F220 HydrophobicContact CD1-CD2 4.19Å; I207-F220 HydrophobicContact CD1-CE2 3.98Å; E216-F220 WeakPolarHBondContact O-CD2 3.32Å; E216-F220 VanDerWaalsContact O-CE2 3.31Å; E216-F220 WeakPolarHBondContact O-CE2 3.24Å; Y217-F220 PolarHBondContact O-N 2.96Å; I218-F220 PolarHBondContact O-N 3.03Å
221C98Very high93.4Very high2 Ų257.7 Ų57.71%0.01431%0.306CS..SBendtrans-72.1147.8175.4-67.90000111.6L147 G150 P152 Y217 I218 K261L147-C221 PolarHBondContact O-SG 3.01Å; L147-C221 VanDerWaalsContact O-SG 3.34Å; G150-C221 WeakPolarHBondContact O-CA 3.25Å; P152-C221 HydrophobicContact CB-CB 4.5Å; Y217-C221 PolarHBondContact O-N 3.23Å; Y217-C221 PolarHBondContact O-SG 3.31Å; I218-C221 WeakPolarHBondContact O-CB 3.49Å; I218-C221 PolarHBondContact O-N 2.86Å; I218-C221 VanDerWaalsContact O-N 3.08Å; C221-K261 HydrophobicContact CB-CB 4.07Å; C221-K261 WeakPolarHBondContact CB-O 3.22Å; C221-K261 WeakPolarHBondContact O-CD 3.49Å; C221-K261 WeakPolarHBondContact O-CE 3.4Å; C221-K261 WeakPolarHBondContact O-CG 3.37Å; C221-K261 PolarHBondContact O-NZ 2.84Å
222R97.9Very high92.7Very high101 Ų10159.3 Ų59.338%0.38132%0.322SS..PPolyproline II helixtrans-68.1143.5171.6-63.6-177.7-60.5146.5-13109.6G150 P152 E226 F227G150-R222 PolarHBondContact O-N 3.49Å; P152-R222 WeakPolarHBondContact CB-O 3.17Å; P152-R222 VanDerWaalsContact CG-O 3.28Å; P152-R222 WeakPolarHBondContact CG-O 3.42Å; R222-E226 VanDerWaalsContact CD-OE2 3.3Å; R222-E226 WeakPolarHBondContact CD-OE2 3.11Å; R222-E226 IonicContact CZ-OE2 2.74Å; R222-E226 IonicContact NE-OE2 3.63Å; R222-E226 IonicContact NH1-OE2 3.93Å; R222-E226 PolarHBondContact NH1-OE2 2.94Å; R222-F227 HydrophobicContact CB-CE2 3.79Å; R222-F227 HydrophobicContact CB-CZ 4.14Å; R222-F227 VanDerWaalsContact CZ-CZ 3.4Å; R222-F227 VanDerWaalsContact NH2-CZ 3.34Å
223P97.9Very high92.5Very high29 Ų2955.8 Ų55.819%0.18830%0.304CS..PPolyproline II helixtrans-65.3151.5178.629.6-35.7000111S225 E226 F227P223-S225 WeakPolarHBondContact CG-OG 3.33Å; P223-S225 PolarHBondContact O-N 3.04Å; P223-S225 VanDerWaalsContact O-N 3.14Å; P223-E226 WeakPolarHBondContact CD-OE1 3.4Å; P223-E226 HydrophobicContact CG-CG 4.19Å; P223-E226 PolarHBondContact O-N 3.07Å; P223-E226 VanDerWaalsContact O-N 3.14Å; P223-F227 WeakPolarHBondContact O-CD2 3.42Å
224I97.9Very high91.3Very high0 Ų057.3 Ų57.30%032%0.32CS..G310 helixtrans-55-32.4178-74.7165.5000111.6P152 E226 F227 L228 V256 S258 D260 T263 F281 F319P152-I224 HydrophobicContact CB-CG1 4.25Å; P152-I224 HydrophobicContact CG-CG1 4.3Å; I224-E226 PolarHBondContact O-N 2.96Å; I224-E226 VanDerWaalsContact O-N 3.11Å; I224-F227 PolarHBondContact O-N 3.35Å; I224-L228 HydrophobicContact CG2-CD2 3.92Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 PolarHBondContact O-N 3.29Å; I224-V256 HydrophobicContact CD1-CB 3.73Å; I224-V256 HydrophobicContact CD1-CG1 4.33Å; I224-V256 HydrophobicContact CD1-CG2 3.74Å; I224-S258 PolarHBondContact N-O 2.93Å; I224-D260 HydrophobicContact CD1-CB 4.07Å; I224-D260 VanDerWaalsContact CG1-O 3.26Å; I224-D260 WeakPolarHBondContact CG1-O 3.16Å; I224-D260 PolarHBondContact N-O 2.74Å; I224-T263 HydrophobicContact CD1-CG2 3.49Å; I224-T263 VanDerWaalsContact CD1-CG2 3.49Å; I224-T263 HydrophobicContact CG1-CG2 3.92Å; I224-F281 HydrophobicContact CG2-CD2 4.44Å; I224-F281 HydrophobicContact CG2-CE2 4.32Å; I224-F319 HydrophobicContact CG2-CE1 3.72Å; I224-F319 HydrophobicContact CG2-CZ 3.85Å
225S96.8Very high90.4Very high61 Ų6162.4 Ų62.443%0.42736%0.356SS..G310 helixtrans-52.2-31.4177.857.50000114.1P223 F227 S258P223-S225 WeakPolarHBondContact CG-OG 3.33Å; P223-S225 PolarHBondContact O-N 3.04Å; P223-S225 VanDerWaalsContact O-N 3.14Å; S225-F227 PolarHBondContact O-N 3.29Å; S225-S258 WeakPolarHBondContact CB-O 3.47Å; S225-S258 PolarHBondContact N-O 2.87Å
226E97Very high89.9Confident110 Ų11061.7 Ų61.751%0.51435%0.346SS..G310 helixtrans-72.6-13.1176.8-73-174.9-144.700114R222 P223 I224R222-E226 VanDerWaalsContact CD-OE2 3.3Å; R222-E226 WeakPolarHBondContact CD-OE2 3.11Å; R222-E226 IonicContact CZ-OE2 2.74Å; R222-E226 IonicContact NE-OE2 3.63Å; R222-E226 IonicContact NH1-OE2 3.93Å; R222-E226 PolarHBondContact NH1-OE2 2.94Å; P223-E226 WeakPolarHBondContact CD-OE1 3.4Å; P223-E226 HydrophobicContact CG-CG 4.19Å; P223-E226 PolarHBondContact O-N 3.07Å; P223-E226 VanDerWaalsContact O-N 3.14Å; I224-E226 PolarHBondContact O-N 2.96Å; I224-E226 VanDerWaalsContact O-N 3.11Å
227F97.4Very high89.5Confident6 Ų664 Ų643%0.02636%0.357CS..G310 helixtrans-109.9-7.5-175.9-58.2-93.6000113.3I151 P152 R222 P223 I224 S225 E323 N326 M327I151-F227 HydrophobicContact CD1-CE1 4.34Å; I151-F227 HydrophobicContact CD1-CZ 4.16Å; I151-F227 HydrophobicContact CG2-CE1 4.16Å; I151-F227 HydrophobicContact CG2-CZ 4.25Å; P152-F227 HydrophobicContact CG-CD2 3.69Å; P152-F227 HydrophobicContact CG-CE2 3.39Å; P152-F227 HydrophobicContact CG-CZ 4.01Å; R222-F227 HydrophobicContact CB-CE2 3.79Å; R222-F227 HydrophobicContact CB-CZ 4.14Å; R222-F227 VanDerWaalsContact CZ-CZ 3.4Å; R222-F227 VanDerWaalsContact NH2-CZ 3.34Å; P223-F227 WeakPolarHBondContact O-CD2 3.42Å; I224-F227 PolarHBondContact O-N 3.35Å; S225-F227 PolarHBondContact O-N 3.29Å; F227-E323 WeakPolarHBondContact O-CA 3.44Å; F227-N326 HydrophobicContact CB-CB 4.15Å; F227-N326 HydrophobicContact CD1-CB 4.12Å; F227-N326 PolarHBondContact O-ND2 3.3Å; F227-M327 HydrophobicContact CB-CG 3.68Å; F227-M327 HydrophobicContact CD1-CB 4.48Å; F227-M327 HydrophobicContact CD1-CG 3.9Å; F227-M327 HydrophobicContact CD2-CG 4.49Å; F227-M327 HydrophobicContact CG-CG 3.77Å
228L96Very high89.3Confident32 Ų3267.3 Ų67.317%0.16837%0.374CS..SBendtrans-69.3161.6178.1-61.2179.4000111.6I224 F281 F319 E323I224-L228 HydrophobicContact CG2-CD2 3.92Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 PolarHBondContact O-N 3.29Å; L228-F281 HydrophobicContact CD1-CE1 4.09Å; L228-F281 HydrophobicContact CD1-CE2 3.83Å; L228-F281 HydrophobicContact CD1-CZ 3.42Å; L228-F281 VanDerWaalsContact CD1-CZ 3.42Å; L228-F281 HydrophobicContact CD2-CD2 4.27Å; L228-F281 HydrophobicContact CD2-CE1 4.42Å; L228-F281 HydrophobicContact CD2-CE2 4.06Å; L228-F281 HydrophobicContact CD2-CZ 4.15Å; L228-F281 HydrophobicContact CG-CZ 4.45Å; L228-F319 HydrophobicContact CD2-CD1 4.12Å; L228-F319 HydrophobicContact CD2-CE1 3.66Å; L228-E323 WeakPolarHBondContact CA-OE1 3.38Å; L228-E323 WeakPolarHBondContact CD2-OE1 3.24Å
229L93.9Very high89.1Confident32 Ų3269.8 Ų69.817%0.16838%0.382CS..PPolyproline II helixtrans-59.4140169.7-70177.6000110.2D233 K236 L238 H320 R322 E323L229-D233 HydrophobicContact CB-CB 4.09Å; L229-D233 HydrophobicContact CD2-CB 4.09Å; L229-D233 HydrophobicContact CG-CB 4.47Å; L229-K236 HydrophobicContact CD1-CB 3.94Å; L229-K236 HydrophobicContact CD1-CD 3.94Å; L229-K236 HydrophobicContact CD2-CD 3.74Å; L229-L238 HydrophobicContact CD1-CD2 4.14Å; L229-H320 HydrophobicContact CD1-CB 3.94Å; L229-R322 HydrophobicContact CD2-CB 3.83Å; L229-R322 HydrophobicContact CD2-CG 3.87Å; L229-E323 HydrophobicContact CD2-CG 4.32Å; L229-E323 HydrophobicContact CG-CG 3.75Å; L229-E323 PolarHBondContact N-OE1 3.08Å; L229-E323 VanDerWaalsContact N-OE1 3.12Å
230V86.2Confident89Confident70 Ų7069.2 Ų69.242%0.42438%0.378SS..PPolyproline II helixtrans-81155.4174.3-69.90000109.9S232 D233V230-S232 WeakPolarHBondContact CG2-OG 3.36Å; V230-S232 PolarHBondContact O-N 3.47Å; V230-D233 VanDerWaalsContact CG2-OD2 3.25Å; V230-D233 WeakPolarHBondContact CG2-OD2 3.5Å; V230-D233 PolarHBondContact N-OD2 2.79Å; V230-D233 VanDerWaalsContact O-CB 3.25Å; V230-D233 WeakPolarHBondContact O-CB 3.33Å; V230-D233 PolarHBondContact O-N 3.19Å
231P77.1Confident88.9Confident124 Ų12467.4 Ų67.481%0.80537%0.37SS*.G310 helixtrans-55.4-26.4-179.7-28.836000115.1D233 S234P231-D233 PolarHBondContact O-N 3.36Å; P231-S234 WeakPolarHBondContact O-CB 3.41Å; P231-S234 PolarHBondContact O-N 3.3Å
232S75.6Confident88.8Confident101 Ų10171.8 Ų71.871%0.70639%0.394SS*.G310 helixtrans-70.9-11.6174.661.40000114.1V230 S234V230-S232 WeakPolarHBondContact CG2-OG 3.36Å; V230-S232 PolarHBondContact O-N 3.47Å; S232-S234 PolarHBondContact O-N 2.83Å
233D78Confident88.7Confident43 Ų4371.3 Ų71.323%0.2340%0.396CS..G310 helixtrans-82.720.8171-72.9-56.9000112.2L229 V230 P231 S235 K236L229-D233 HydrophobicContact CB-CB 4.09Å; L229-D233 HydrophobicContact CD2-CB 4.09Å; L229-D233 HydrophobicContact CG-CB 4.47Å; V230-D233 VanDerWaalsContact CG2-OD2 3.25Å; V230-D233 WeakPolarHBondContact CG2-OD2 3.5Å; V230-D233 PolarHBondContact N-OD2 2.79Å; V230-D233 VanDerWaalsContact O-CB 3.25Å; V230-D233 WeakPolarHBondContact O-CB 3.33Å; V230-D233 PolarHBondContact O-N 3.19Å; P231-D233 PolarHBondContact O-N 3.36Å; D233-S235 PolarHBondContact O-N 3Å; D233-K236 HydrophobicContact CB-CD 4.12Å; D233-K236 WeakPolarHBondContact O-CB 3.32Å; D233-K236 PolarHBondContact O-N 3.18Å; D233-K236 IonicContact OD1-NZ 3.15Å; D233-K236 PolarHBondContact OD1-NZ 3.23Å; D233-K236 IonicContact OD2-NZ 2.9Å
234S62.1Low88.4Confident108 Ų10877.6 Ų77.676%0.75542%0.42SS*.THydrogen-bonded Turntrans-57.8-15.2-172.457.20000115.3P231 S232 K236P231-S234 WeakPolarHBondContact O-CB 3.41Å; P231-S234 PolarHBondContact O-N 3.3Å; S232-S234 PolarHBondContact O-N 2.83Å; S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 2.89Å
235S75Confident88.2Confident112 Ų11278.3 Ų78.378%0.78343%0.425SS*.THydrogen-bonded Turntrans-74.6-13173.756.70000114.1D233D233-S235 PolarHBondContact O-N 3Å
236K81.7Confident88.1Confident66 Ų6675.9 Ų75.929%0.28741%0.407SS..SBendtrans-85.8122.2-177-67.5176.8-177.9149.90111.4L229 D233 S234L229-K236 HydrophobicContact CD1-CB 3.94Å; L229-K236 HydrophobicContact CD1-CD 3.94Å; L229-K236 HydrophobicContact CD2-CD 3.74Å; D233-K236 HydrophobicContact CB-CD 4.12Å; D233-K236 WeakPolarHBondContact O-CB 3.32Å; D233-K236 PolarHBondContact O-N 3.18Å; D233-K236 IonicContact OD1-NZ 3.15Å; D233-K236 PolarHBondContact OD1-NZ 3.23Å; D233-K236 IonicContact OD2-NZ 2.9Å; S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 2.89Å
237E87.3Confident87.9Confident133 Ų13376 Ų7662%0.62141%0.408SS*.PPolyproline II helixtrans-66.5132.2177.7-170.7175.1-169.100111.6Y239E237-Y239 HydrophobicContact CB-CE2 4.33Å; E237-Y239 HydrophobicContact CG-CE2 4.46Å; E237-Y239 WeakPolarHBondContact O-CE2 3.43Å
238L90.6Very high87.6Confident70 Ų7084.7 Ų84.737%0.36644%0.44SS..PPolyproline II helixtrans-100.8131.2177.2-63-178.3000110.6L229 F240L229-L238 HydrophobicContact CD1-CD2 4.14Å; L238-F240 HydrophobicContact CB-CD2 4.46Å; L238-F240 HydrophobicContact CB-CE2 3.94Å; L238-F240 PolarHBondContact O-N 3.41Å
239Y92.2Very high87.4Confident95 Ų9585.6 Ų85.637%0.37344%0.442SS..  trans-100.392.8-173.6-63.3-94.5000111.2E237 R317 F318 E342E237-Y239 HydrophobicContact CB-CE2 4.33Å; E237-Y239 HydrophobicContact CG-CE2 4.46Å; E237-Y239 WeakPolarHBondContact O-CE2 3.43Å; Y239-R317 WeakPolarHBondContact O-CA 3.45Å; Y239-R317 WeakPolarHBondContact O-CB 3.39Å; Y239-F318 PolarHBondContact O-N 3.29Å; Y239-E342 HydrophobicContact CD2-CG 4.12Å; Y239-E342 HydrophobicContact CE2-CB 4.02Å; Y239-E342 HydrophobicContact CE2-CG 3.59Å
240F94.9Very high87.4Confident107 Ų10784.6 Ų84.647%0.46944%0.436SS..BIsolated β-bridgetrans-72.7149.5175.3-71-92.2000111.9L238 D242 T283 K315 L316 R317L238-F240 HydrophobicContact CB-CD2 4.46Å; L238-F240 HydrophobicContact CB-CE2 3.94Å; L238-F240 PolarHBondContact O-N 3.41Å; F240-D242 PolarHBondContact O-N 3.07Å; F240-T283 HydrophobicContact CE1-CG2 4.12Å; F240-T283 HydrophobicContact CZ-CG2 4.45Å; F240-K315 HydrophobicContact CE1-CB 4.22Å; F240-K315 WeakPolarHBondContact CE1-O 3.26Å; F240-L316 WeakPolarHBondContact CA-O 3.35Å; F240-L316 WeakPolarHBondContact CD1-O 3.46Å; F240-R317 HydrophobicContact CD1-CB 3.87Å; F240-R317 HydrophobicContact CE1-CB 4.13Å; F240-R317 HydrophobicContact CG-CB 4.1Å
241L94.7Very high87.7Confident14 Ų1489.3 Ų89.37%0.07345%0.446CS..PPolyproline II helixtrans-71.5124.7174.5-82.467000109.1C245 L246 L253 L274 V280 L316 F318L241-C245 HydrophobicContact CB-CB 4.41Å; L241-L246 HydrophobicContact CB-CD2 3.84Å; L241-L246 HydrophobicContact CB-CG 4.17Å; L241-L246 HydrophobicContact CD2-CD2 3.99Å; L241-L253 HydrophobicContact CD2-CD1 3.56Å; L241-L253 HydrophobicContact CD2-CD2 4.23Å; L241-L274 HydrophobicContact CD2-CD2 3.69Å; L241-L274 HydrophobicContact CG-CD2 4.2Å; L241-V280 HydrophobicContact CD1-CB 4.4Å; L241-V280 HydrophobicContact CD1-CG1 4.05Å; L241-V280 HydrophobicContact CD2-CG1 4.22Å; L241-L316 HydrophobicContact CD1-CB 4.28Å; L241-L316 HydrophobicContact CD2-CB 4.27Å; L241-L316 PolarHBondContact N-O 3.18Å; L241-F318 HydrophobicContact CD1-CD2 3.98Å; L241-F318 HydrophobicContact CD1-CE2 3.93Å; L241-F318 HydrophobicContact CD1-CG 4.43Å; L241-F318 HydrophobicContact CD1-CZ 4.32Å; L241-F318 HydrophobicContact CG-CE2 4.27Å
242D94.6Very high88.4Confident94 Ų9485.3 Ų85.350%0.50342%0.42SS..PPolyproline II helixtrans-73.9167.117671.818.1000112.1F240 K244 C245 L246F240-D242 PolarHBondContact O-N 3.07Å; D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 3.35Å; D242-K244 PolarHBondContact OD1-N 3.48Å; D242-C245 WeakPolarHBondContact O-CB 3.31Å; D242-C245 PolarHBondContact O-N 3.41Å; D242-C245 VanDerWaalsContact O-N 3.1Å; D242-C245 WeakPolarHBondContact OD1-CB 3.47Å; D242-C245 PolarHBondContact OD1-N 2.91Å; D242-L246 WeakPolarHBondContact O-CG 3.39Å; D242-L246 PolarHBondContact O-N 3.19Å
243E95.1Very high89.3Confident90 Ų9081.5 Ų81.542%0.42139%0.391SS..Hα-helixtrans-57-40.2-178.4-174.9167.3158.600112.9C245 L246 Q247 L308 K312E243-C245 VanDerWaalsContact C-N 3.3Å; E243-C245 PolarHBondContact O-N 2.88Å; E243-L246 PolarHBondContact O-N 3.17Å; E243-Q247 HydrophobicContact CG-CG 4.49Å; E243-Q247 WeakPolarHBondContact O-CB 3.38Å; E243-Q247 VanDerWaalsContact O-CG 3.31Å; E243-Q247 WeakPolarHBondContact O-CG 3.45Å; E243-Q247 PolarHBondContact O-N 3.37Å; E243-L308 HydrophobicContact CG-CD1 4.09Å; E243-L308 HydrophobicContact CG-CD2 3.88Å; E243-L308 HydrophobicContact CG-CG 4.44Å; E243-K312 IonicContact OE1-NZ 3.87Å; E243-K312 VanDerWaalsContact OE2-CE 3.29Å; E243-K312 WeakPolarHBondContact OE2-CE 3.47Å; E243-K312 IonicContact OE2-NZ 3.62Å; E243-K312 PolarHBondContact OE2-NZ 3.1Å
244K93.4Very high90.1Very high161 Ų16181.7 Ų81.770%0.739%0.392SS*.Hα-helixtrans-64.5-38.7178.9-66.5179.4-179.6175.90111.2D242 R248D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 3.35Å; D242-K244 PolarHBondContact OD1-N 3.48Å; K244-R248 VanDerWaalsContact O-CB 3.23Å; K244-R248 WeakPolarHBondContact O-CB 3.44Å; K244-R248 PolarHBondContact O-N 2.65Å; K244-R248 VanDerWaalsContact O-N 3.12Å
245C92.5Very high91.8Very high16 Ų1677 Ų7711%0.10836%0.359CS..Hα-helixtrans-67.3-45.9177-169.40000110.8L241 D242 E243 R248 Y249 L274L241-C245 HydrophobicContact CB-CB 4.41Å; D242-C245 WeakPolarHBondContact O-CB 3.31Å; D242-C245 PolarHBondContact O-N 3.41Å; D242-C245 VanDerWaalsContact O-N 3.1Å; D242-C245 WeakPolarHBondContact OD1-CB 3.47Å; D242-C245 PolarHBondContact OD1-N 2.91Å; E243-C245 VanDerWaalsContact C-N 3.3Å; E243-C245 PolarHBondContact O-N 2.88Å; C245-R248 PolarHBondContact O-N 3Å; C245-Y249 WeakPolarHBondContact O-CB 3.34Å; C245-Y249 WeakPolarHBondContact O-CD2 3.49Å; C245-Y249 PolarHBondContact O-N 3.2Å; C245-L274 WeakPolarHBondContact SG-CD2 3.42Å
246L95Very high92.8Very high9 Ų972 Ų725%0.04732%0.323CS..Hα-helixtrans-60.1-52.9176.3-65.2176000111L241 D242 E243 R248 Y249 F250 L308 A311 K312 L316L241-L246 HydrophobicContact CB-CD2 3.84Å; L241-L246 HydrophobicContact CB-CG 4.17Å; L241-L246 HydrophobicContact CD2-CD2 3.99Å; D242-L246 WeakPolarHBondContact O-CG 3.39Å; D242-L246 PolarHBondContact O-N 3.19Å; E243-L246 PolarHBondContact O-N 3.17Å; L246-R248 PolarHBondContact O-N 3.25Å; L246-Y249 PolarHBondContact O-N 2.86Å; L246-F250 WeakPolarHBondContact O-CB 3.05Å; L246-F250 PolarHBondContact O-N 3.44Å; L246-L308 HydrophobicContact CB-CD1 3.87Å; L246-A311 HydrophobicContact CB-CB 4.43Å; L246-A311 HydrophobicContact CD1-CB 4.35Å; L246-A311 HydrophobicContact CD2-CB 4.31Å; L246-K312 HydrophobicContact CD1-CG 4.01Å; L246-L316 HydrophobicContact CD2-CD1 4.02Å
247Q92.7Very high93.5Very high113 Ų11370.6 Ų70.653%0.52832%0.316SS..Hα-helixtrans-53.4-43177.5-74.5171.4-22.600112.4E243 L308E243-Q247 HydrophobicContact CG-CG 4.49Å; E243-Q247 WeakPolarHBondContact O-CB 3.38Å; E243-Q247 VanDerWaalsContact O-CG 3.31Å; E243-Q247 WeakPolarHBondContact O-CG 3.45Å; E243-Q247 PolarHBondContact O-N 3.37Å; Q247-L308 HydrophobicContact CG-CD1 3.76Å; Q247-L308 HydrophobicContact CG-CD2 3.76Å; Q247-L308 HydrophobicContact CG-CG 4.31Å; Q247-L308 VanDerWaalsContact NE2-CD2 3.33Å
248R90.9Very high93.9Very high189 Ų18965.2 Ų65.271%0.71329%0.293SS*.Hα-helixtrans-81-34.6-174-175.6171.3179.9-179.53.2114.1K244 C245 L246K244-R248 VanDerWaalsContact O-CB 3.23Å; K244-R248 WeakPolarHBondContact O-CB 3.44Å; K244-R248 PolarHBondContact O-N 2.65Å; K244-R248 VanDerWaalsContact O-N 3.12Å; C245-R248 PolarHBondContact O-N 3Å; L246-R248 PolarHBondContact O-N 3.25Å
249Y92.5Very high94.2Very high50 Ų5065.1 Ų65.120%0.19630%0.297CS..Hα-helixtrans-121.8-9.6-164.9-62.5-70.1000114.6C245 L246 R251 V252 L253 L274C245-Y249 WeakPolarHBondContact O-CB 3.34Å; C245-Y249 WeakPolarHBondContact O-CD2 3.49Å; C245-Y249 PolarHBondContact O-N 3.2Å; L246-Y249 PolarHBondContact O-N 2.86Å; Y249-R251 VanDerWaalsContact C-N 3.26Å; Y249-R251 PolarHBondContact O-N 3.11Å; Y249-R251 VanDerWaalsContact O-N 3.08Å; Y249-V252 HydrophobicContact CD1-CG2 4.13Å; Y249-V252 WeakPolarHBondContact O-CG2 3.45Å; Y249-V252 PolarHBondContact O-N 3.18Å; Y249-L253 WeakPolarHBondContact O-CG 3.23Å; Y249-L253 PolarHBondContact O-N 3.38Å; Y249-L274 HydrophobicContact CD1-CB 4.5Å; Y249-L274 HydrophobicContact CD2-CD1 3.89Å; Y249-L274 HydrophobicContact CE2-CD1 4.07Å; Y249-L274 HydrophobicContact CG-CB 4.26Å; Y249-L274 HydrophobicContact CG-CD1 4.29Å
250F93.8Very high94.4Very high12 Ų1261.9 Ų61.95%0.05329%0.287CS..G310 helixtrans-49-44.9-170.7-176.2-116.9000113.8L246 V252 L253 I255 I293 Y297 V307 Y310 A311 L314 L316L246-F250 WeakPolarHBondContact O-CB 3.05Å; L246-F250 PolarHBondContact O-N 3.44Å; F250-V252 PolarHBondContact O-N 2.96Å; F250-L253 HydrophobicContact CD2-CD1 4.17Å; F250-L253 PolarHBondContact O-N 3.01Å; F250-I255 HydrophobicContact CD2-CD1 4.33Å; F250-I255 HydrophobicContact CE2-CD1 3.78Å; F250-I293 HydrophobicContact CE1-CG2 4.5Å; F250-I293 HydrophobicContact CE2-CG2 4.4Å; F250-I293 HydrophobicContact CZ-CG2 3.8Å; F250-Y297 AromaticContact CD1-CD2 3.88Å; F250-Y297 HydrophobicContact CD1-CD2 3.88Å; F250-Y297 HydrophobicContact CE1-CD2 4.2Å; F250-V307 HydrophobicContact CD1-CG1 3.57Å; F250-V307 HydrophobicContact CE1-CG1 3.94Å; F250-Y310 HydrophobicContact CE1-CD1 4.45Å; F250-Y310 HydrophobicContact CZ-CD1 4.1Å; F250-Y310 HydrophobicContact CZ-CE1 4.37Å; F250-A311 HydrophobicContact CD1-CB 4.18Å; F250-A311 HydrophobicContact CD2-CB 3.52Å; F250-A311 HydrophobicContact CE1-CB 4.13Å; F250-A311 HydrophobicContact CE2-CB 3.48Å; F250-A311 VanDerWaalsContact CE2-CB 3.48Å; F250-A311 HydrophobicContact CG-CB 3.89Å; F250-A311 HydrophobicContact CZ-CB 3.78Å; F250-L314 HydrophobicContact CE2-CD1 3.77Å; F250-L314 HydrophobicContact CZ-CD1 3.88Å; F250-L316 HydrophobicContact CD2-CD1 4.22Å; F250-L316 HydrophobicContact CE2-CD1 4.1Å
251R92.4Very high94.6Very high169 Ų16960.5 Ų60.564%0.63828%0.28SS*.G310 helixtrans-54.8-35.5176.8-176.2-174.4-178.2-113.7-3.1114.5Y249 Y297Y249-R251 VanDerWaalsContact C-N 3.26Å; Y249-R251 PolarHBondContact O-N 3.11Å; Y249-R251 VanDerWaalsContact O-N 3.08Å; R251-Y297 HydrophobicContact CB-CE1 4.12Å; R251-Y297 HydrophobicContact CB-CE2 3.83Å; R251-Y297 WeakPolarHBondContact CD-OH 3.42Å; R251-Y297 HydrophobicContact CG-CD1 4.33Å; R251-Y297 HydrophobicContact CG-CE1 3.61Å; R251-Y297 HydrophobicContact CG-CE2 4.27Å
252V92.1Very high94.7Very high40 Ų4061.9 Ų61.924%0.24229%0.286CS..G310 helixtrans-102.65.2-172-610000112.8Y249 F250 E275Y249-V252 HydrophobicContact CD1-CG2 4.13Å; Y249-V252 WeakPolarHBondContact O-CG2 3.45Å; Y249-V252 PolarHBondContact O-N 3.18Å; F250-V252 PolarHBondContact O-N 2.96Å; V252-E275 HydrophobicContact CB-CB 4.12Å; V252-E275 HydrophobicContact CB-CG 3.95Å; V252-E275 HydrophobicContact CG1-CG 4.4Å; V252-E275 HydrophobicContact CG2-CB 3.86Å; V252-E275 HydrophobicContact CG2-CG 4.24Å
253L94.7Very high94.8Very high21 Ų2157.4 Ų57.411%0.1126%0.262CS..  trans-74.2133.4175.8-61-178.8000110.5L241 Y249 F250 I255 L274 V280 L316L241-L253 HydrophobicContact CD2-CD1 3.56Å; L241-L253 HydrophobicContact CD2-CD2 4.23Å; Y249-L253 WeakPolarHBondContact O-CG 3.23Å; Y249-L253 PolarHBondContact O-N 3.38Å; F250-L253 HydrophobicContact CD2-CD1 4.17Å; F250-L253 PolarHBondContact O-N 3.01Å; L253-I255 HydrophobicContact CB-CD1 4.17Å; L253-I255 HydrophobicContact CB-CG1 3.78Å; L253-I255 PolarHBondContact O-N 2.9Å; L253-L274 HydrophobicContact CD2-CB 3.69Å; L253-L274 HydrophobicContact CD2-CD2 3.4Å; L253-L274 HydrophobicContact CD2-CG 4.18Å; L253-V280 HydrophobicContact CB-CG2 4.1Å; L253-V280 HydrophobicContact CD1-CG2 4.13Å; L253-V280 HydrophobicContact CD2-CG1 4.33Å; L253-V280 HydrophobicContact CG-CG2 4.46Å; L253-L316 HydrophobicContact CD1-CD1 3.74Å
254D94.9Very high94.8Very high46 Ų4658.4 Ų58.425%0.24626%0.262CS..EExtended strand (participates in β ladder)trans-88.2101.2162.8-173.699.2000107.3R264 S279 V280D254-R264 HydrophobicContact CB-CG 3.78Å; D254-R264 VanDerWaalsContact OD1-CG 3.24Å; D254-R264 WeakPolarHBondContact OD1-CG 3.26Å; D254-R264 IonicContact OD1-CZ 2.96Å; D254-R264 IonicContact OD1-NE 3.52Å; D254-R264 PolarHBondContact OD1-NE 3.36Å; D254-R264 IonicContact OD1-NH2 3.43Å; D254-R264 WeakPolarHBondContact OD2-CG 3.46Å; D254-S279 CarbonylContact O-C 3.51Å; D254-S279 WeakPolarHBondContact O-CA 3.42Å; D254-S279 WeakPolarHBondContact O-CB 3.45Å; D254-S279 VanDerWaalsContact OD2-CB 3.27Å; D254-S279 WeakPolarHBondContact OD2-CB 3.41Å; D254-S279 PolarHBondContact OD2-OG 3.5Å; D254-V280 PolarHBondContact O-N 2.7Å
255I96.4Very high94.9Very high11 Ų1151.8 Ų51.86%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-97.1127.2-174.6-60.8164.4000109.3F250 L253 V280 Q282 S290 I293 L314 L316F250-I255 HydrophobicContact CD2-CD1 4.33Å; F250-I255 HydrophobicContact CE2-CD1 3.78Å; L253-I255 HydrophobicContact CB-CD1 4.17Å; L253-I255 HydrophobicContact CB-CG1 3.78Å; L253-I255 PolarHBondContact O-N 2.9Å; I255-V280 HydrophobicContact CB-CG2 4.41Å; I255-V280 HydrophobicContact CG1-CG2 3.72Å; I255-Q282 HydrophobicContact CG2-CB 3.84Å; I255-S290 PolarHBondContact O-OG 2.73Å; I255-I293 HydrophobicContact CB-CD1 4.4Å; I255-I293 HydrophobicContact CD1-CD1 4.35Å; I255-I293 HydrophobicContact CD1-CG2 3.94Å; I255-I293 HydrophobicContact CG2-CD1 3.96Å; I255-L314 HydrophobicContact CD1-CD1 4.37Å; I255-L316 HydrophobicContact CD1-CD1 3.71Å; I255-L316 HydrophobicContact CD1-CD2 4.35Å; I255-L316 HydrophobicContact CG1-CD1 4.01Å; I255-L316 HydrophobicContact CG1-CD2 4.26Å; I255-L316 HydrophobicContact CG2-CD2 3.64Å
256V96.7Very high95.1Very high5 Ų551.2 Ų51.23%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-128.1151.3-178.4-61.10000111.7I224 K262 T263 V280 Q282 F319I224-V256 HydrophobicContact CD1-CB 3.73Å; I224-V256 HydrophobicContact CD1-CG1 4.33Å; I224-V256 HydrophobicContact CD1-CG2 3.74Å; V256-K262 WeakPolarHBondContact CG1-O 3.43Å; V256-T263 HydrophobicContact CG2-CG2 4.29Å; V256-V280 WeakPolarHBondContact CG2-O 3.19Å; V256-V280 PolarHBondContact N-O 2.93Å; V256-Q282 WeakPolarHBondContact O-CB 3.26Å; V256-Q282 PolarHBondContact O-N 2.91Å; V256-F319 HydrophobicContact CG2-CE2 3.63Å; V256-F319 HydrophobicContact CG2-CZ 3.61Å
257R96.7Very high95.1Very high38 Ų3852.7 Ų52.714%0.14324%0.241CC..  trans-108172.8179.6-58.1172.4-651666.8111.6C259 D260 Q282 E286 E288R257-C259 VanDerWaalsContact C-N 3.31Å; R257-C259 PolarHBondContact O-N 2.5Å; R257-D260 WeakPolarHBondContact CB-OD2 3.5Å; R257-D260 IonicContact CZ-OD1 3.36Å; R257-D260 PolarHBondContact N-OD2 3.44Å; R257-D260 IonicContact NE-OD1 3.58Å; R257-D260 PolarHBondContact NE-OD1 3.06Å; R257-D260 IonicContact NE-OD2 2.82Å; R257-D260 PolarHBondContact NE-OD2 3.04Å; R257-D260 IonicContact NH2-OD1 2.69Å; R257-D260 PolarHBondContact NH2-OD1 2.91Å; R257-D260 PolarHBondContact O-N 3.1Å; R257-Q282 HydrophobicContact CG-CB 4.36Å; R257-Q282 HydrophobicContact CG-CG 4.48Å; R257-E286 VanDerWaalsContact CD-O 3.22Å; R257-E286 WeakPolarHBondContact CD-O 3.12Å; R257-E286 PolarHBondContact NH1-O 3.43Å; R257-E288 WeakPolarHBondContact CD-O 3.25Å
258S96Very high95.1Very high20 Ų2053.6 Ų53.614%0.1424%0.243CC..THydrogen-bonded Turntrans-55.8-42.2175.957.20000112.7I224 S225 E286I224-S258 PolarHBondContact N-O 2.93Å; S225-S258 WeakPolarHBondContact CB-O 3.47Å; S225-S258 PolarHBondContact N-O 2.87Å; S258-E286 PolarHBondContact OG-OE1 2.82Å
259C96Very high95.1Very high67 Ų6745.3 Ų45.345%0.45322%0.216SC..THydrogen-bonded Turntrans-83.5-11.8-176.7620000114.6R257R257-C259 VanDerWaalsContact C-N 3.31Å; R257-C259 PolarHBondContact O-N 2.5Å
260D97.3Very high95.1Very high28 Ų2843.1 Ų43.115%0.1521%0.207CC..  trans-70150.2-179.1-64.1-30.8000110.3I224 R257I224-D260 HydrophobicContact CD1-CB 4.07Å; I224-D260 VanDerWaalsContact CG1-O 3.26Å; I224-D260 WeakPolarHBondContact CG1-O 3.16Å; I224-D260 PolarHBondContact N-O 2.74Å; R257-D260 WeakPolarHBondContact CB-OD2 3.5Å; R257-D260 IonicContact CZ-OD1 3.36Å; R257-D260 PolarHBondContact N-OD2 3.44Å; R257-D260 IonicContact NE-OD1 3.58Å; R257-D260 PolarHBondContact NE-OD1 3.06Å; R257-D260 IonicContact NE-OD2 2.82Å; R257-D260 PolarHBondContact NE-OD2 3.04Å; R257-D260 IonicContact NH2-OD1 2.69Å; R257-D260 PolarHBondContact NH2-OD1 2.91Å; R257-D260 PolarHBondContact O-N 3.1Å
261K97.6Very high94.6Very high77 Ų7744.2 Ų44.234%0.33522%0.217SC..  trans-112.319.7-172.4-69.1179.7164.5-1660113.2P152 I218 Q219 C221P152-K261 VanDerWaalsContact CB-O 3.3Å; P152-K261 WeakPolarHBondContact CB-O 3.25Å; I218-K261 HydrophobicContact CG2-CB 3.98Å; I218-K261 WeakPolarHBondContact O-CB 3.04Å; I218-K261 WeakPolarHBondContact O-CD 3.37Å; Q219-K261 PolarHBondContact O-NZ 3.34Å; C221-K261 HydrophobicContact CB-CB 4.07Å; C221-K261 WeakPolarHBondContact CB-O 3.22Å; C221-K261 WeakPolarHBondContact O-CD 3.49Å; C221-K261 WeakPolarHBondContact O-CE 3.4Å; C221-K261 WeakPolarHBondContact O-CG 3.37Å; C221-K261 PolarHBondContact O-NZ 2.84Å
262K96.8Very high94.3Very high43 Ų4343.6 Ų43.619%0.18722%0.219CC..  trans-155133.8-178.4177.8172.8170.9177.50111L147 N213 I218 V256L147-K262 HydrophobicContact CD2-CG 4.44Å; N213-K262 PolarHBondContact O-NZ 3.34Å; I218-K262 HydrophobicContact CD1-CD 3.5Å; I218-K262 HydrophobicContact CG1-CD 3.97Å; I218-K262 HydrophobicContact CG2-CB 4.37Å; V256-K262 WeakPolarHBondContact CG1-O 3.43Å
263T97.1Very high93.8Very high1 Ų150.1 Ų50.11%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-117.6160.6162.861.10000110.2P152 N153 C154 I224 V256 F266 S279 F319 M327P152-T263 WeakPolarHBondContact O-CB 3.46Å; P152-T263 PolarHBondContact O-N 3.02Å; P152-T263 PolarHBondContact O-OG1 3.33Å; N153-T263 WeakPolarHBondContact CA-OG1 3.32Å; N153-T263 PolarHBondContact ND2-OG1 3.23Å; C154-T263 WeakPolarHBondContact CB-O 3.25Å; C154-T263 PolarHBondContact N-O 3.35Å; I224-T263 HydrophobicContact CD1-CG2 3.49Å; I224-T263 VanDerWaalsContact CD1-CG2 3.49Å; I224-T263 HydrophobicContact CG1-CG2 3.92Å; V256-T263 HydrophobicContact CG2-CG2 4.29Å; T263-F266 HydrophobicContact CG2-CE2 4.45Å; T263-F266 HydrophobicContact CG2-CZ 4.19Å; T263-S279 VanDerWaalsContact CA-OG 3.31Å; T263-S279 WeakPolarHBondContact CA-OG 3.14Å; T263-S279 WeakPolarHBondContact CB-OG 3.48Å; T263-F319 HydrophobicContact CG2-CE2 4.39Å; T263-F319 HydrophobicContact CG2-CZ 4.29Å; T263-M327 HydrophobicContact CG2-SD 3.82Å
264R95.8Very high93.2Very high111 Ų11149.7 Ų49.742%0.41924%0.237SC..EExtended strand (participates in β ladder)trans-70.2160.8165.4-66.9-73.2-178.21753.9110.8N153 D254 F266 S279N153-R264 PolarHBondContact ND2-O 3.12Å; D254-R264 HydrophobicContact CB-CG 3.78Å; D254-R264 VanDerWaalsContact OD1-CG 3.24Å; D254-R264 WeakPolarHBondContact OD1-CG 3.26Å; D254-R264 IonicContact OD1-CZ 2.96Å; D254-R264 IonicContact OD1-NE 3.52Å; D254-R264 PolarHBondContact OD1-NE 3.36Å; D254-R264 IonicContact OD1-NH2 3.43Å; D254-R264 WeakPolarHBondContact OD2-CG 3.46Å; R264-F266 PolarHBondContact O-N 3.3Å; R264-S279 PolarHBondContact N-OG 2.99Å
265C95.8Very high92.8Very high22 Ų2253.7 Ų53.715%0.14925%0.254CS..  trans-55.7121.1172.8-176.40000110.5C154 R157 T267 T277 G278C154-C265 VanDerWaalsContact O-CA 3.26Å; C154-C265 WeakPolarHBondContact O-CA 3.4Å; C154-C265 WeakPolarHBondContact O-CB 3.39Å; C154-C265 PolarHBondContact O-N 3.18Å; C154-C265 VanDerWaalsContact O-N 3.1Å; R157-C265 PolarHBondContact NH2-SG 3.21Å; R157-C265 VanDerWaalsContact NH2-SG 3.38Å; C265-T267 PolarHBondContact O-N 3.2Å; C265-T277 CarbonylContact O-C 3.39Å; C265-G278 WeakPolarHBondContact O-CA 3.46Å; C265-G278 PolarHBondContact O-N 3.14Å
266F96.7Very high92.3Very high3 Ų356.4 Ų56.41%0.01328%0.284CS..  trans-73.2109.9166.4-59.4-73.6000108.7N153 R155 T263 R264 Y270 T277 F319 V324 M327 G350N153-F266 WeakPolarHBondContact ND2-CD2 3.46Å; R155-F266 PolarHBondContact NH1-O 3.26Å; R155-F266 VanDerWaalsContact NH1-O 3.11Å; T263-F266 HydrophobicContact CG2-CE2 4.45Å; T263-F266 HydrophobicContact CG2-CZ 4.19Å; R264-F266 PolarHBondContact O-N 3.3Å; F266-Y270 AromaticContact CD1-CD1 3.79Å; F266-Y270 HydrophobicContact CD1-CD1 3.79Å; F266-Y270 AromaticContact CD1-CD2 3.88Å; F266-Y270 HydrophobicContact CD1-CD2 3.88Å; F266-Y270 AromaticContact CD1-CE1 3.73Å; F266-Y270 HydrophobicContact CD1-CE1 3.73Å; F266-Y270 AromaticContact CD1-CE2 3.82Å; F266-Y270 HydrophobicContact CD1-CE2 3.82Å; F266-Y270 AromaticContact CD1-CG 3.88Å; F266-Y270 HydrophobicContact CD1-CG 3.88Å; F266-Y270 AromaticContact CD1-CZ 3.76Å; F266-Y270 HydrophobicContact CE1-CD1 4.38Å; F266-Y270 HydrophobicContact CE1-CD2 4.36Å; F266-Y270 AromaticContact CE1-CE1 3.86Å; F266-Y270 HydrophobicContact CE1-CE1 3.86Å; F266-Y270 AromaticContact CE1-CE2 3.83Å; F266-Y270 HydrophobicContact CE1-CE2 3.83Å; F266-Y270 AromaticContact CE1-CZ 3.57Å; F266-T277 CarbonylContact C-O 3.36Å; F266-T277 WeakPolarHBondContact CA-O 3.49Å; F266-F319 HydrophobicContact CE1-CB 4.38Å; F266-F319 AromaticContact CE1-CD2 3.76Å; F266-F319 HydrophobicContact CE1-CD2 3.76Å; F266-F319 HydrophobicContact CE1-CE2 4.45Å; F266-F319 HydrophobicContact CE1-CG 4.33Å; F266-F319 AromaticContact CZ-CD2 3.69Å; F266-F319 HydrophobicContact CZ-CD2 3.69Å; F266-F319 HydrophobicContact CZ-CE2 4.09Å; F266-F319 HydrophobicContact CZ-CG 4.15Å; F266-V324 HydrophobicContact CB-CG1 3.88Å; F266-V324 HydrophobicContact CD1-CG2 4.06Å; F266-V324 HydrophobicContact CD2-CG1 3.92Å; F266-V324 HydrophobicContact CD2-CG2 4.27Å; F266-V324 HydrophobicContact CE1-CG2 4.22Å; F266-V324 HydrophobicContact CE2-CG2 4.43Å; F266-V324 HydrophobicContact CG-CG1 3.89Å; F266-V324 HydrophobicContact CG-CG2 4.09Å; F266-V324 HydrophobicContact CZ-CG2 4.4Å; F266-M327 HydrophobicContact CE2-CE 3.56Å; F266-M327 HydrophobicContact CE2-SD 3.76Å; F266-M327 HydrophobicContact CZ-CE 3.66Å; F266-M327 HydrophobicContact CZ-SD 4.2Å; F266-G350 WeakPolarHBondContact O-CA 3.4Å
267T94.5Very high92.1Very high40 Ų4056.7 Ų56.725%0.24529%0.286CS..  trans-96.4168.5178.773.90000110.3C265 G269 Y270 T277C265-T267 PolarHBondContact O-N 3.2Å; T267-G269 PolarHBondContact O-N 3.05Å; T267-G269 PolarHBondContact OG1-N 3.23Å; T267-Y270 WeakPolarHBondContact O-CB 3.47Å; T267-Y270 PolarHBondContact O-N 3.33Å; T267-T277 PolarHBondContact N-O 2.9Å; T267-T277 WeakPolarHBondContact OG1-CA 3.37Å; T267-T277 VanDerWaalsContact OG1-CB 3.26Å; T267-T277 WeakPolarHBondContact OG1-CB 3.42Å; T267-T277 WeakPolarHBondContact OG1-CG2 3.39Å; T267-T277 PolarHBondContact OG1-O 3.25Å
268K92Very high92Very high133 Ų13355.1 Ų55.158%0.57828%0.281SS*.THydrogen-bonded Turntrans-55.5-1617273.8-178179.2-170.60114.8R347 N351K268-R347 HydrophobicContact CB-CG 4.2Å; K268-N351 VanDerWaalsContact CB-OD1 3.29Å; K268-N351 WeakPolarHBondContact CB-OD1 3.37Å; K268-N351 WeakPolarHBondContact CD-OD1 3.39Å
269G91.9Very high92.1Very high14 Ų1454.1 Ų54.114%0.14428%0.275CS..THydrogen-bonded Turntrans-94.9-1.2-179.300000115.2T267 S271 K272 R273T267-G269 PolarHBondContact O-N 3.05Å; T267-G269 PolarHBondContact OG1-N 3.23Å; G269-S271 VanDerWaalsContact C-N 3.3Å; G269-S271 PolarHBondContact O-N 2.74Å; G269-S271 VanDerWaalsContact O-N 3.1Å; G269-K272 WeakPolarHBondContact O-CA 3.01Å; G269-K272 PolarHBondContact O-N 2.78Å; G269-R273 PolarHBondContact O-N 2.79Å
270Y91.4Very high92.1Very high4 Ų451.1 Ų51.12%0.01625%0.254CS..THydrogen-bonded Turntrans-49.1-40.4-168.1-179.1-127.3000115.5F266 T267 T277 G278 S279 F318 F319 V324 L346F266-Y270 AromaticContact CD1-CD1 3.79Å; F266-Y270 HydrophobicContact CD1-CD1 3.79Å; F266-Y270 AromaticContact CD1-CD2 3.88Å; F266-Y270 HydrophobicContact CD1-CD2 3.88Å; F266-Y270 AromaticContact CD1-CE1 3.73Å; F266-Y270 HydrophobicContact CD1-CE1 3.73Å; F266-Y270 AromaticContact CD1-CE2 3.82Å; F266-Y270 HydrophobicContact CD1-CE2 3.82Å; F266-Y270 AromaticContact CD1-CG 3.88Å; F266-Y270 HydrophobicContact CD1-CG 3.88Å; F266-Y270 AromaticContact CD1-CZ 3.76Å; F266-Y270 HydrophobicContact CE1-CD1 4.38Å; F266-Y270 HydrophobicContact CE1-CD2 4.36Å; F266-Y270 AromaticContact CE1-CE1 3.86Å; F266-Y270 HydrophobicContact CE1-CE1 3.86Å; F266-Y270 AromaticContact CE1-CE2 3.83Å; F266-Y270 HydrophobicContact CE1-CE2 3.83Å; F266-Y270 AromaticContact CE1-CZ 3.57Å; T267-Y270 WeakPolarHBondContact O-CB 3.47Å; T267-Y270 PolarHBondContact O-N 3.33Å; Y270-T277 WeakPolarHBondContact CA-OG1 3.18Å; Y270-T277 WeakPolarHBondContact CB-O 3.34Å; Y270-T277 WeakPolarHBondContact CD2-O 3.45Å; Y270-G278 VanDerWaalsContact CD2-CA 3.49Å; Y270-S279 WeakPolarHBondContact CE2-O 3.46Å; Y270-S279 PolarHBondContact OH-O 3.49Å; Y270-F318 HydrophobicContact CE1-CB 4.36Å; Y270-F318 HydrophobicContact CE1-CD1 4.1Å; Y270-F318 HydrophobicContact CE2-CD1 4.24Å; Y270-F318 AromaticContact CZ-CD1 3.88Å; Y270-F318 WeakPolarHBondContact O-CE1 3.13Å; Y270-F319 HydrophobicContact CE1-CB 4.3Å; Y270-F319 WeakPolarHBondContact OH-CD2 3.47Å; Y270-F319 PolarHBondContact OH-N 2.87Å; Y270-V324 HydrophobicContact CE1-CG2 4.47Å; Y270-L346 HydrophobicContact CD1-CD1 4.26Å; Y270-L346 HydrophobicContact CD1-CD2 4.11Å; Y270-L346 HydrophobicContact CE1-CD2 4.42Å
271S83.5Confident92.1Very high36 Ų3650.5 Ų50.525%0.25225%0.25SS..THydrogen-bonded Turntrans-95.45.9177.757.10000115G269G269-S271 VanDerWaalsContact C-N 3.3Å; G269-S271 PolarHBondContact O-N 2.74Å; G269-S271 VanDerWaalsContact O-N 3.1Å
272K85.2Confident92.1Very high155 Ų15547.2 Ų47.267%0.67424%0.236SC*.THydrogen-bonded Turntrans-118.2-35.4-177.2-174.5177.2-179.8177.90113.3G269G269-K272 WeakPolarHBondContact O-CA 3.01Å; G269-K272 PolarHBondContact O-N 2.78Å
273R81.8Confident91.9Very high177 Ų17747.8 Ų47.867%0.66824%0.243SC*.  trans-132.3121.3175-63.1-179.5-179.9-176.9-1.7105.3G269 T277G269-R273 PolarHBondContact O-N 2.79Å; R273-T277 HydrophobicContact CB-CG2 4Å; R273-T277 VanDerWaalsContact O-CB 3.23Å; R273-T277 WeakPolarHBondContact O-CB 3.36Å; R273-T277 WeakPolarHBondContact O-CG2 3.44Å; R273-T277 PolarHBondContact O-OG1 3.41Å
274L82.1Confident91.6Very high13 Ų1348.8 Ų48.87%0.06825%0.25CS..  trans-83.5-29.5-176-7483.4000112.3L241 C245 Y249 L253 G276 T277 V280 F318L241-L274 HydrophobicContact CD2-CD2 3.69Å; L241-L274 HydrophobicContact CG-CD2 4.2Å; C245-L274 WeakPolarHBondContact SG-CD2 3.42Å; Y249-L274 HydrophobicContact CD1-CB 4.5Å; Y249-L274 HydrophobicContact CD2-CD1 3.89Å; Y249-L274 HydrophobicContact CE2-CD1 4.07Å; Y249-L274 HydrophobicContact CG-CB 4.26Å; Y249-L274 HydrophobicContact CG-CD1 4.29Å; L253-L274 HydrophobicContact CD2-CB 3.69Å; L253-L274 HydrophobicContact CD2-CD2 3.4Å; L253-L274 HydrophobicContact CD2-CG 4.18Å; L274-G276 PolarHBondContact O-N 3.04Å; L274-T277 PolarHBondContact O-OG1 3.33Å; L274-V280 HydrophobicContact CD2-CG1 4.43Å; L274-F318 HydrophobicContact CD1-CE1 4.5Å; L274-F318 HydrophobicContact CD1-CZ 4.11Å; L274-F318 HydrophobicContact CD2-CE1 3.98Å; L274-F318 HydrophobicContact CD2-CZ 3.78Å; L274-F318 HydrophobicContact CG-CE1 3.96Å; L274-F318 HydrophobicContact CG-CZ 3.95Å
275E86.7Confident91.1Very high130 Ų13048.2 Ų48.261%0.60725%0.254SS*.THydrogen-bonded Turntrans-67119.5178.1-174.2172.6-165.200111.7V252 T277V252-E275 HydrophobicContact CB-CB 4.12Å; V252-E275 HydrophobicContact CB-CG 3.95Å; V252-E275 HydrophobicContact CG1-CG 4.4Å; V252-E275 HydrophobicContact CG2-CB 3.86Å; V252-E275 HydrophobicContact CG2-CG 4.24Å; E275-T277 VanDerWaalsContact C-N 3.25Å; E275-T277 PolarHBondContact O-N 2.96Å
276G87.2Confident90.6Very high67 Ų6752.8 Ų52.869%0.69127%0.273SS*.THydrogen-bonded Turntrans69.114.7170.500000115.6L274L274-G276 PolarHBondContact O-N 3.04Å
277T92Very high90.3Very high12 Ų1258.9 Ų58.97%0.07431%0.305CS..SBendtrans-111.3-4-175.760.50000114.8C265 F266 T267 Y270 R273 L274 E275C265-T277 CarbonylContact O-C 3.39Å; F266-T277 CarbonylContact C-O 3.36Å; F266-T277 WeakPolarHBondContact CA-O 3.49Å; T267-T277 PolarHBondContact N-O 2.9Å; T267-T277 WeakPolarHBondContact OG1-CA 3.37Å; T267-T277 VanDerWaalsContact OG1-CB 3.26Å; T267-T277 WeakPolarHBondContact OG1-CB 3.42Å; T267-T277 WeakPolarHBondContact OG1-CG2 3.39Å; T267-T277 PolarHBondContact OG1-O 3.25Å; Y270-T277 WeakPolarHBondContact CA-OG1 3.18Å; Y270-T277 WeakPolarHBondContact CB-O 3.34Å; Y270-T277 WeakPolarHBondContact CD2-O 3.45Å; R273-T277 HydrophobicContact CB-CG2 4Å; R273-T277 VanDerWaalsContact O-CB 3.23Å; R273-T277 WeakPolarHBondContact O-CB 3.36Å; R273-T277 WeakPolarHBondContact O-CG2 3.44Å; R273-T277 PolarHBondContact O-OG1 3.41Å; L274-T277 PolarHBondContact O-OG1 3.33Å; E275-T277 VanDerWaalsContact C-N 3.25Å; E275-T277 PolarHBondContact O-N 2.96Å
278G95.5Very high90.3Very high4 Ų458.7 Ų58.74%0.04130%0.302CS..  trans154.2173.3178.600000110.8C265 Y270C265-G278 WeakPolarHBondContact O-CA 3.46Å; C265-G278 PolarHBondContact O-N 3.14Å; Y270-G278 VanDerWaalsContact CD2-CA 3.49Å
279S96.9Very high90.3Very high0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-90151.6177-51.80000111.2D254 T263 R264 Y270 F319D254-S279 CarbonylContact O-C 3.51Å; D254-S279 WeakPolarHBondContact O-CA 3.42Å; D254-S279 WeakPolarHBondContact O-CB 3.45Å; D254-S279 VanDerWaalsContact OD2-CB 3.27Å; D254-S279 WeakPolarHBondContact OD2-CB 3.41Å; D254-S279 PolarHBondContact OD2-OG 3.5Å; T263-S279 VanDerWaalsContact CA-OG 3.31Å; T263-S279 WeakPolarHBondContact CA-OG 3.14Å; T263-S279 WeakPolarHBondContact CB-OG 3.48Å; R264-S279 PolarHBondContact N-OG 2.99Å; Y270-S279 WeakPolarHBondContact CE2-O 3.46Å; Y270-S279 PolarHBondContact OH-O 3.49Å; S279-F319 WeakPolarHBondContact O-CD2 3.31Å
280V96.6Very high90.3Very high4 Ų456.1 Ų56.12%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-101.3147.1167.1-63.40000110L241 L253 D254 I255 V256 L274 L316L241-V280 HydrophobicContact CD1-CB 4.4Å; L241-V280 HydrophobicContact CD1-CG1 4.05Å; L241-V280 HydrophobicContact CD2-CG1 4.22Å; L253-V280 HydrophobicContact CB-CG2 4.1Å; L253-V280 HydrophobicContact CD1-CG2 4.13Å; L253-V280 HydrophobicContact CD2-CG1 4.33Å; L253-V280 HydrophobicContact CG-CG2 4.46Å; D254-V280 PolarHBondContact O-N 2.7Å; I255-V280 HydrophobicContact CB-CG2 4.41Å; I255-V280 HydrophobicContact CG1-CG2 3.72Å; V256-V280 WeakPolarHBondContact CG2-O 3.19Å; V256-V280 PolarHBondContact N-O 2.93Å; L274-V280 HydrophobicContact CD2-CG1 4.43Å; V280-L316 HydrophobicContact CG2-CB 4.46Å; V280-L316 HydrophobicContact CG2-CD1 4.27Å
281F96.8Very high90.4Very high15 Ų1562.5 Ų62.57%0.06633%0.327CS..EExtended strand (participates in β ladder)trans-92.3127.2-175.6-176-115.2000111.4I224 L228 T283 L316 R317 F319I224-F281 HydrophobicContact CG2-CD2 4.44Å; I224-F281 HydrophobicContact CG2-CE2 4.32Å; L228-F281 HydrophobicContact CD1-CE1 4.09Å; L228-F281 HydrophobicContact CD1-CE2 3.83Å; L228-F281 HydrophobicContact CD1-CZ 3.42Å; L228-F281 VanDerWaalsContact CD1-CZ 3.42Å; L228-F281 HydrophobicContact CD2-CD2 4.27Å; L228-F281 HydrophobicContact CD2-CE1 4.42Å; L228-F281 HydrophobicContact CD2-CE2 4.06Å; L228-F281 HydrophobicContact CD2-CZ 4.15Å; L228-F281 HydrophobicContact CG-CZ 4.45Å; F281-T283 HydrophobicContact CD1-CG2 3.55Å; F281-T283 HydrophobicContact CE1-CG2 3.71Å; F281-L316 WeakPolarHBondContact O-CA 3.48Å; F281-R317 HydrophobicContact CB-CG 4.13Å; F281-R317 HydrophobicContact CD1-CG 4.18Å; F281-R317 PolarHBondContact N-O 3.08Å; F281-R317 PolarHBondContact O-N 2.77Å; F281-F319 HydrophobicContact CB-CD1 4.42Å; F281-F319 HydrophobicContact CB-CD2 4.27Å; F281-F319 HydrophobicContact CB-CE1 4.09Å; F281-F319 HydrophobicContact CB-CE2 3.9Å; F281-F319 HydrophobicContact CB-CZ 3.81Å; F281-F319 HydrophobicContact CD2-CE1 4.03Å; F281-F319 AromaticContact CD2-CZ 3.84Å; F281-F319 HydrophobicContact CD2-CZ 3.84Å; F281-F319 HydrophobicContact CG-CE1 4.23Å; F281-F319 HydrophobicContact CG-CZ 4.18Å
282Q96.9Very high91Very high7 Ų765.5 Ų65.53%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-86.7120.2172.9175.2-178.6-29.200110I255 V256 R257 S284 M285 E288 L316I255-Q282 HydrophobicContact CG2-CB 3.84Å; V256-Q282 WeakPolarHBondContact O-CB 3.26Å; V256-Q282 PolarHBondContact O-N 2.91Å; R257-Q282 HydrophobicContact CG-CB 4.36Å; R257-Q282 HydrophobicContact CG-CG 4.48Å; Q282-S284 WeakPolarHBondContact CG-O 3.14Å; Q282-S284 PolarHBondContact NE2-O 3.49Å; Q282-M285 PolarHBondContact NE2-O 3.25Å; Q282-E288 PolarHBondContact NE2-O 3.33Å; Q282-E288 PolarHBondContact OE1-O 3.1Å; Q282-L316 HydrophobicContact CB-CD2 3.94Å; Q282-L316 HydrophobicContact CG-CD2 4.41Å
283T93.1Very high91.5Very high55 Ų5558.5 Ų58.534%0.33731%0.305SS..  trans-101.7-6.9-175.263.90000113.9F240 F281 L314 K315 R317F240-T283 HydrophobicContact CE1-CG2 4.12Å; F240-T283 HydrophobicContact CZ-CG2 4.45Å; F281-T283 HydrophobicContact CD1-CG2 3.55Å; F281-T283 HydrophobicContact CE1-CG2 3.71Å; T283-L314 PolarHBondContact N-O 3.12Å; T283-K315 PolarHBondContact N-O 3.44Å; T283-K315 WeakPolarHBondContact OG1-CB 3.43Å; T283-K315 PolarHBondContact OG1-O 2.94Å; T283-R317 HydrophobicContact CG2-CG 3.86Å
284S91.6Very high92.1Very high23 Ų2353.8 Ų53.816%0.16130%0.296CS..SBendtrans-133.6171.9179.255.20000111Q282 E286 L313 L314 K315Q282-S284 WeakPolarHBondContact CG-O 3.14Å; Q282-S284 PolarHBondContact NE2-O 3.49Å; S284-E286 PolarHBondContact O-N 3.03Å; S284-L313 PolarHBondContact OG-O 3.07Å; S284-L314 WeakPolarHBondContact OG-CA 3.16Å; S284-L314 PolarHBondContact OG-O 3.21Å; S284-L314 VanDerWaalsContact OG-O 3.08Å; S284-K315 PolarHBondContact OG-N 2.92Å
285M84.8Confident92.8Very high98 Ų9857.6 Ų57.648%0.48332%0.316SS..  trans56.249.7170.4-59.6-67-71.300112.6Q282 N287 E288 L314Q282-M285 PolarHBondContact NE2-O 3.25Å; M285-N287 PolarHBondContact O-N 3.27Å; M285-E288 HydrophobicContact CB-CB 4.26Å; M285-E288 HydrophobicContact CB-CG 3.69Å; M285-E288 HydrophobicContact CE-CG 4.08Å; M285-E288 VanDerWaalsContact O-CB 3.32Å; M285-E288 WeakPolarHBondContact O-CB 3.47Å; M285-E288 PolarHBondContact O-N 2.93Å; M285-L314 HydrophobicContact CB-CD2 4.41Å
286E84.6Confident93.3Very high118 Ų11854.2 Ų54.255%0.55130%0.3SS*.THydrogen-bonded Turntrans-55.5-21-172.6-66.9-164.3143.800114.6R257 S258 S284 E288R257-E286 VanDerWaalsContact CD-O 3.22Å; R257-E286 WeakPolarHBondContact CD-O 3.12Å; R257-E286 PolarHBondContact NH1-O 3.43Å; S258-E286 PolarHBondContact OG-OE1 2.82Å; S284-E286 PolarHBondContact O-N 3.03Å; E286-E288 VanDerWaalsContact C-N 3.27Å; E286-E288 PolarHBondContact O-N 3.43Å
287N91.4Very high93.6Very high131 Ų13153.2 Ų53.270%0.70128%0.275SS*.THydrogen-bonded Turntrans-74.2-11.3174.3-69.6-23.6000114.5M285 T289 K292M285-N287 PolarHBondContact O-N 3.27Å; N287-T289 PolarHBondContact O-N 2.91Å; N287-K292 WeakPolarHBondContact O-CD 3.36Å; N287-K292 PolarHBondContact O-NZ 2.51Å
288E93.5Very high93.8Very high37 Ų3756.6 Ų56.617%0.17329%0.29CS..  trans-83.796.3176.1-63.7-59.5139.400109.3R257 Q282 M285 E286 I293 Y310 L314R257-E288 WeakPolarHBondContact CD-O 3.25Å; Q282-E288 PolarHBondContact NE2-O 3.33Å; Q282-E288 PolarHBondContact OE1-O 3.1Å; M285-E288 HydrophobicContact CB-CB 4.26Å; M285-E288 HydrophobicContact CB-CG 3.69Å; M285-E288 HydrophobicContact CE-CG 4.08Å; M285-E288 VanDerWaalsContact O-CB 3.32Å; M285-E288 WeakPolarHBondContact O-CB 3.47Å; M285-E288 PolarHBondContact O-N 2.93Å; E286-E288 VanDerWaalsContact C-N 3.27Å; E286-E288 PolarHBondContact O-N 3.43Å; E288-I293 HydrophobicContact CB-CD1 4.43Å; E288-I293 HydrophobicContact CB-CG1 4.27Å; E288-Y310 PolarHBondContact OE2-OH 2.8Å; E288-L314 HydrophobicContact CB-CD2 3.93Å; E288-L314 HydrophobicContact CG-CD2 4.15Å
289T93.8Very high93.9Very high39 Ų3960.2 Ų60.224%0.23932%0.32CS..  trans-74.4161.2176.361.90000110.7N287 E291 K292 I293N287-T289 PolarHBondContact O-N 2.91Å; T289-E291 PolarHBondContact O-N 2.98Å; T289-E291 VanDerWaalsContact O-N 3.15Å; T289-K292 PolarHBondContact O-N 2.88Å; T289-K292 WeakPolarHBondContact OG1-CG 3.36Å; T289-K292 PolarHBondContact OG1-N 3.36Å; T289-K292 VanDerWaalsContact OG1-N 3.16Å; T289-I293 WeakPolarHBondContact O-CG1 3.3Å; T289-I293 PolarHBondContact O-N 2.79Å
290S90.8Very high93.9Very high53 Ų5362.7 Ų62.737%0.37133%0.333SS..Hα-helixtrans-55.1-33.2172.9-42.40000112.3I255 T294I255-S290 PolarHBondContact O-OG 2.73Å; S290-T294 WeakPolarHBondContact O-CB 3.43Å; S290-T294 PolarHBondContact O-N 2.82Å; S290-T294 PolarHBondContact O-OG1 3.13Å
291E93.3Very high93.8Very high139 Ų13967.1 Ų67.165%0.6535%0.352SS*.Hα-helixtrans-65.8-48.2174.2-175.4-175.4177.100112.2T289 I293 T294 N295T289-E291 PolarHBondContact O-N 2.98Å; T289-E291 VanDerWaalsContact O-N 3.15Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.25Å; E291-T294 PolarHBondContact O-N 3.34Å; E291-N295 WeakPolarHBondContact O-CB 3.25Å; E291-N295 PolarHBondContact O-N 3.26Å; E291-N295 PolarHBondContact O-ND2 3.36Å
292K96.1Very high93.7Very high98 Ų9874.5 Ų74.543%0.42639%0.387SS..Hα-helixtrans-60.9-42.7176.7-75179.7179.1178.90112N287 T289 T294 N295 F296N287-K292 WeakPolarHBondContact O-CD 3.36Å; N287-K292 PolarHBondContact O-NZ 2.51Å; T289-K292 PolarHBondContact O-N 2.88Å; T289-K292 WeakPolarHBondContact OG1-CG 3.36Å; T289-K292 PolarHBondContact OG1-N 3.36Å; T289-K292 VanDerWaalsContact OG1-N 3.16Å; K292-T294 VanDerWaalsContact C-N 3.33Å; K292-T294 PolarHBondContact O-N 2.87Å; K292-N295 PolarHBondContact O-N 3.4Å; K292-F296 WeakPolarHBondContact O-CB 3.41Å; K292-F296 PolarHBondContact O-N 3.45Å
293I96Very high93.7Very high8 Ų878.1 Ų78.14%0.04141%0.407CS..Hα-helixtrans-62-44.5177.5-66.2164.5000110.4F250 I255 E288 T289 E291 F296 Y297 Y310 L314F250-I293 HydrophobicContact CE1-CG2 4.5Å; F250-I293 HydrophobicContact CE2-CG2 4.4Å; F250-I293 HydrophobicContact CZ-CG2 3.8Å; I255-I293 HydrophobicContact CB-CD1 4.4Å; I255-I293 HydrophobicContact CD1-CD1 4.35Å; I255-I293 HydrophobicContact CD1-CG2 3.94Å; I255-I293 HydrophobicContact CG2-CD1 3.96Å; E288-I293 HydrophobicContact CB-CD1 4.43Å; E288-I293 HydrophobicContact CB-CG1 4.27Å; T289-I293 WeakPolarHBondContact O-CG1 3.3Å; T289-I293 PolarHBondContact O-N 2.79Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.25Å; I293-F296 PolarHBondContact O-N 3.4Å; I293-Y297 WeakPolarHBondContact O-CB 3.45Å; I293-Y297 PolarHBondContact O-N 3.23Å; I293-Y310 HydrophobicContact CB-CE1 4.43Å; I293-Y310 HydrophobicContact CG1-CE1 4.21Å; I293-Y310 HydrophobicContact CG2-CE1 4.28Å; I293-L314 HydrophobicContact CD1-CD1 3.88Å; I293-L314 HydrophobicContact CD1-CD2 4.09Å; I293-L314 HydrophobicContact CG1-CD1 4.02Å; I293-L314 HydrophobicContact CG1-CD2 4.24Å; I293-L314 HydrophobicContact CG2-CD1 4.24Å
294T94.9Very high93.7Very high78 Ų7883.1 Ų83.148%0.47943%0.426SS..Hα-helixtrans-61.9-45.7176.7-57.80000111.2S290 E291 K292 Y297 E298S290-T294 WeakPolarHBondContact O-CB 3.43Å; S290-T294 PolarHBondContact O-N 2.82Å; S290-T294 PolarHBondContact O-OG1 3.13Å; E291-T294 PolarHBondContact O-N 3.34Å; K292-T294 VanDerWaalsContact C-N 3.33Å; K292-T294 PolarHBondContact O-N 2.87Å; T294-Y297 PolarHBondContact O-N 3.11Å; T294-E298 PolarHBondContact O-N 3.14Å
295N96.5Very high93.9Very high93 Ų9387.3 Ų87.350%0.49744%0.443SS..Hα-helixtrans-64.3-42179.1-69.2-17.5000111.9E291 K292 E298 A299E291-N295 WeakPolarHBondContact O-CB 3.25Å; E291-N295 PolarHBondContact O-N 3.26Å; E291-N295 PolarHBondContact O-ND2 3.36Å; K292-N295 PolarHBondContact O-N 3.4Å; N295-E298 PolarHBondContact O-N 2.88Å; N295-A299 WeakPolarHBondContact O-CB 3.35Å; N295-A299 PolarHBondContact O-N 2.92Å
296F96.4Very high94.5Very high60 Ų6083.7 Ų83.726%0.26343%0.429SS..Hα-helixtrans-60.7-46.7174.7-178.1-81.7000111K292 I293 A299 N300 Y310K292-F296 WeakPolarHBondContact O-CB 3.41Å; K292-F296 PolarHBondContact O-N 3.45Å; I293-F296 PolarHBondContact O-N 3.4Å; F296-A299 PolarHBondContact O-N 3.39Å; F296-N300 HydrophobicContact CE1-CB 4.21Å; F296-N300 WeakPolarHBondContact O-CB 3.46Å; F296-N300 PolarHBondContact O-N 3.08Å; F296-N300 VanDerWaalsContact O-N 3.11Å; F296-N300 PolarHBondContact O-ND2 3.38Å; F296-Y310 HydrophobicContact CB-CD1 4.32Å; F296-Y310 HydrophobicContact CB-CE1 3.84Å; F296-Y310 AromaticContact CD1-CD1 3.23Å; F296-Y310 HydrophobicContact CD1-CD1 3.23Å; F296-Y310 HydrophobicContact CD1-CD2 4.11Å; F296-Y310 AromaticContact CD1-CE1 3.66Å; F296-Y310 HydrophobicContact CD1-CE1 3.66Å; F296-Y310 HydrophobicContact CD1-CE2 4.48Å; F296-Y310 AromaticContact CD1-CG 3.48Å; F296-Y310 HydrophobicContact CD1-CG 3.48Å; F296-Y310 VanDerWaalsContact CD1-CG 3.48Å; F296-Y310 HydrophobicContact CD2-CD1 4.44Å; F296-Y310 AromaticContact CD2-CD2 3.96Å; F296-Y310 HydrophobicContact CD2-CD2 3.96Å; F296-Y310 HydrophobicContact CD2-CE1 4.48Å; F296-Y310 HydrophobicContact CD2-CE2 4.03Å; F296-Y310 HydrophobicContact CD2-CG 4.17Å; F296-Y310 AromaticContact CE1-CD1 3.59Å; F296-Y310 HydrophobicContact CE1-CD1 3.59Å; F296-Y310 HydrophobicContact CE1-CD2 4.08Å; F296-Y310 HydrophobicContact CE1-CE1 4.42Å; F296-Y310 AromaticContact CE1-CG 3.37Å; F296-Y310 HydrophobicContact CE1-CG 3.37Å; F296-Y310 AromaticContact CE2-CD2 3.9Å; F296-Y310 HydrophobicContact CE2-CD2 3.9Å; F296-Y310 HydrophobicContact CE2-CE2 4.4Å; F296-Y310 HydrophobicContact CE2-CG 4.06Å; F296-Y310 AromaticContact CG-CD1 3.73Å; F296-Y310 HydrophobicContact CG-CD1 3.73Å; F296-Y310 HydrophobicContact CG-CD2 4.08Å; F296-Y310 AromaticContact CG-CE1 3.72Å; F296-Y310 HydrophobicContact CG-CE1 3.72Å; F296-Y310 HydrophobicContact CG-CE2 4.08Å; F296-Y310 AromaticContact CG-CG 3.91Å; F296-Y310 HydrophobicContact CG-CG 3.91Å; F296-Y310 AromaticContact CG-CZ 3.9Å; F296-Y310 VanDerWaalsContact CZ-CB 3.49Å; F296-Y310 HydrophobicContact CZ-CD1 4.32Å; F296-Y310 AromaticContact CZ-CD2 3.97Å; F296-Y310 HydrophobicContact CZ-CD2 3.97Å; F296-Y310 AromaticContact CZ-CG 3.68Å; F296-Y310 HydrophobicContact CZ-CG 3.68Å
297Y95.3Very high95.1Very high45 Ų4578.8 Ų78.818%0.17641%0.407CS..Hα-helixtrans-58.9-52178.1175.6-90.2000111.2F250 R251 I293 T294 A299 N300 K301 V307F250-Y297 AromaticContact CD1-CD2 3.88Å; F250-Y297 HydrophobicContact CD1-CD2 3.88Å; F250-Y297 HydrophobicContact CE1-CD2 4.2Å; R251-Y297 HydrophobicContact CB-CE1 4.12Å; R251-Y297 HydrophobicContact CB-CE2 3.83Å; R251-Y297 WeakPolarHBondContact CD-OH 3.42Å; R251-Y297 HydrophobicContact CG-CD1 4.33Å; R251-Y297 HydrophobicContact CG-CE1 3.61Å; R251-Y297 HydrophobicContact CG-CE2 4.27Å; I293-Y297 WeakPolarHBondContact O-CB 3.45Å; I293-Y297 PolarHBondContact O-N 3.23Å; T294-Y297 PolarHBondContact O-N 3.11Å; Y297-A299 VanDerWaalsContact C-N 3.28Å; Y297-A299 PolarHBondContact O-N 3.28Å; Y297-N300 CarbonylContact O-C 3.57Å; Y297-N300 PolarHBondContact O-N 2.82Å; Y297-N300 VanDerWaalsContact O-N 3.14Å; Y297-K301 HydrophobicContact CE1-CB 4.08Å; Y297-K301 WeakPolarHBondContact O-CA 3.28Å; Y297-K301 WeakPolarHBondContact O-CB 3.38Å; Y297-K301 PolarHBondContact O-N 3.14Å; Y297-V307 HydrophobicContact CD2-CG1 3.91Å; Y297-V307 HydrophobicContact CD2-CG2 4.44Å; Y297-V307 HydrophobicContact CE2-CG1 4.17Å
298E96.1Very high95.3Very high83 Ų8372.8 Ų72.839%0.38838%0.375SS..Hα-helixtrans-63.5-33.4-177.6-73.6-60.8151.500112.9T294 N295 K301T294-E298 PolarHBondContact O-N 3.14Å; N295-E298 PolarHBondContact O-N 2.88Å; E298-K301 IonicContact OE2-NZ 2.98Å; E298-K301 PolarHBondContact OE2-NZ 3.35Å
299A97Very high95.5Very high81 Ų8177 Ų7767%0.66940%0.395SS*.Hα-helixtrans-72.2-27.2176.400000113.7N295 F296 Y297N295-A299 WeakPolarHBondContact O-CB 3.35Å; N295-A299 PolarHBondContact O-N 2.92Å; F296-A299 PolarHBondContact O-N 3.39Å; Y297-A299 VanDerWaalsContact C-N 3.28Å; Y297-A299 PolarHBondContact O-N 3.28Å
300N96.7Very high95.6Very high51 Ų5176.3 Ų76.327%0.27339%0.388SS..Hα-helixtrans-119.612-172.9-61.5-85.6000113.4F296 Y297 E302 D303 V307F296-N300 HydrophobicContact CE1-CB 4.21Å; F296-N300 WeakPolarHBondContact O-CB 3.46Å; F296-N300 PolarHBondContact O-N 3.08Å; F296-N300 VanDerWaalsContact O-N 3.11Å; F296-N300 PolarHBondContact O-ND2 3.38Å; Y297-N300 CarbonylContact O-C 3.57Å; Y297-N300 PolarHBondContact O-N 2.82Å; Y297-N300 VanDerWaalsContact O-N 3.14Å; N300-E302 PolarHBondContact O-N 3.2Å; N300-D303 CarbonylContact O-C 3.53Å; N300-D303 WeakPolarHBondContact O-CA 3.27Å; N300-D303 PolarHBondContact O-N 3.17Å; N300-V307 HydrophobicContact CB-CG2 3.98Å; N300-V307 VanDerWaalsContact O-CG2 3.23Å; N300-V307 WeakPolarHBondContact O-CG2 3.5Å
301K93.9Very high95.9Very high98 Ų9873.8 Ų73.843%0.42637%0.37SS..THydrogen-bonded Turntrans-58.7-21.1-172.164.2-175170.4-162.50115.4Y297 E298Y297-K301 HydrophobicContact CE1-CB 4.08Å; Y297-K301 WeakPolarHBondContact O-CA 3.28Å; Y297-K301 WeakPolarHBondContact O-CB 3.38Å; Y297-K301 PolarHBondContact O-N 3.14Å; E298-K301 IonicContact OE2-NZ 2.98Å; E298-K301 PolarHBondContact OE2-NZ 3.35Å
302E95.6Very high96Very high170 Ų17071.6 Ų71.679%0.79436%0.359SS*.THydrogen-bonded Turntrans-86.2-15.7175.4-54.2-58.4146.200112.8N300N300-E302 PolarHBondContact O-N 3.2Å
303D96.3Very high96Very high83 Ų8372 Ų7244%0.44437%0.365SS..  trans-102.684.2174.6-172.3-17.8000109.8N300 Q305 A306 V307N300-D303 CarbonylContact O-C 3.53Å; N300-D303 WeakPolarHBondContact O-CA 3.27Å; N300-D303 PolarHBondContact O-N 3.17Å; D303-Q305 PolarHBondContact O-N 3.04Å; D303-Q305 VanDerWaalsContact O-N 3.16Å; D303-Q305 PolarHBondContact OD1-N 2.91Å; D303-A306 HydrophobicContact CB-CB 3.92Å; D303-A306 PolarHBondContact O-N 2.69Å; D303-A306 PolarHBondContact OD1-N 3.34Å; D303-A306 WeakPolarHBondContact OD2-CB 3.25Å; D303-V307 WeakPolarHBondContact O-CG2 3.47Å; D303-V307 PolarHBondContact O-N 3.07Å
304E94Very high96.1Very high160 Ų16071.7 Ų71.775%0.74836%0.363SS*.Hα-helixtrans-55.7-32.6-179.8-65.7-173171.700112.7L308E304-L308 WeakPolarHBondContact O-CB 3.49Å; E304-L308 PolarHBondContact O-N 3.5Å
305Q96Very high96.2Very high111 Ų11174 Ų7452%0.51937%0.367SS..Hα-helixtrans-74.9-43.8-179.1-70.8-63.2-18.200111.5D303 V307 L308 Q309D303-Q305 PolarHBondContact O-N 3.04Å; D303-Q305 VanDerWaalsContact O-N 3.16Å; D303-Q305 PolarHBondContact OD1-N 2.91Å; Q305-V307 VanDerWaalsContact C-N 3.34Å; Q305-V307 PolarHBondContact O-N 2.96Å; Q305-L308 PolarHBondContact O-N 3.49Å; Q305-Q309 WeakPolarHBondContact O-CB 3.33Å; Q305-Q309 VanDerWaalsContact O-CG 3.29Å; Q305-Q309 WeakPolarHBondContact O-CG 3.36Å; Q305-Q309 PolarHBondContact O-N 2.9Å
306A96.6Very high96.2Very high22 Ų2269.8 Ų69.818%0.18234%0.344CS..Hα-helixtrans-61-44.3174.100000111.5D303 L308 Q309 Y310D303-A306 HydrophobicContact CB-CB 3.92Å; D303-A306 PolarHBondContact O-N 2.69Å; D303-A306 PolarHBondContact OD1-N 3.34Å; D303-A306 WeakPolarHBondContact OD2-CB 3.25Å; A306-L308 PolarHBondContact O-N 3.25Å; A306-Q309 PolarHBondContact O-N 2.8Å; A306-Y310 WeakPolarHBondContact O-CB 3.4Å; A306-Y310 PolarHBondContact O-N 3.01Å
307V96.5Very high96.1Very high14 Ų1467.5 Ų67.59%0.08533%0.334CS..Hα-helixtrans-60.2-46.4175.8172.60000111.2F250 Y297 N300 D303 Q305 Y310 A311F250-V307 HydrophobicContact CD1-CG1 3.57Å; F250-V307 HydrophobicContact CE1-CG1 3.94Å; Y297-V307 HydrophobicContact CD2-CG1 3.91Å; Y297-V307 HydrophobicContact CD2-CG2 4.44Å; Y297-V307 HydrophobicContact CE2-CG1 4.17Å; N300-V307 HydrophobicContact CB-CG2 3.98Å; N300-V307 VanDerWaalsContact O-CG2 3.23Å; N300-V307 WeakPolarHBondContact O-CG2 3.5Å; D303-V307 WeakPolarHBondContact O-CG2 3.47Å; D303-V307 PolarHBondContact O-N 3.07Å; Q305-V307 VanDerWaalsContact C-N 3.34Å; Q305-V307 PolarHBondContact O-N 2.96Å; V307-Y310 PolarHBondContact O-N 2.8Å; V307-A311 VanDerWaalsContact O-CB 3.3Å; V307-A311 WeakPolarHBondContact O-CB 3.43Å; V307-A311 PolarHBondContact O-N 3.4Å
308L96.8Very high96.2Very high6 Ų666.8 Ų66.83%0.03133%0.332CS..Hα-helixtrans-65.9-41.7-179.8-177.158000112.7E243 L246 Q247 E304 Q305 A306 A311 K312E243-L308 HydrophobicContact CG-CD1 4.09Å; E243-L308 HydrophobicContact CG-CD2 3.88Å; E243-L308 HydrophobicContact CG-CG 4.44Å; L246-L308 HydrophobicContact CB-CD1 3.87Å; Q247-L308 HydrophobicContact CG-CD1 3.76Å; Q247-L308 HydrophobicContact CG-CD2 3.76Å; Q247-L308 HydrophobicContact CG-CG 4.31Å; Q247-L308 VanDerWaalsContact NE2-CD2 3.33Å; E304-L308 WeakPolarHBondContact O-CB 3.49Å; E304-L308 PolarHBondContact O-N 3.5Å; Q305-L308 PolarHBondContact O-N 3.49Å; A306-L308 PolarHBondContact O-N 3.25Å; L308-A311 PolarHBondContact O-N 3.21Å; L308-K312 HydrophobicContact CG-CD 4.44Å; L308-K312 WeakPolarHBondContact O-CG 3.3Å; L308-K312 PolarHBondContact O-N 3.28Å
309Q96.7Very high96.2Very high125 Ų12562.9 Ų62.958%0.58431%0.313SS*.Hα-helixtrans-62-46.6176.1-74.8-178.26.400110.9Q305 A306 A311 K312 L313Q305-Q309 WeakPolarHBondContact O-CB 3.33Å; Q305-Q309 VanDerWaalsContact O-CG 3.29Å; Q305-Q309 WeakPolarHBondContact O-CG 3.36Å; Q305-Q309 PolarHBondContact O-N 2.9Å; A306-Q309 PolarHBondContact O-N 2.8Å; Q309-A311 PolarHBondContact O-N 2.67Å; Q309-K312 WeakPolarHBondContact O-CB 3.26Å; Q309-K312 PolarHBondContact O-N 2.94Å; Q309-L313 WeakPolarHBondContact O-CG 3.47Å; Q309-L313 PolarHBondContact O-N 2.96Å; Q309-L313 VanDerWaalsContact O-N 3.12Å
310Y96.9Very high96.2Very high24 Ų2459.6 Ų59.69%0.09428%0.284CS..Hα-helixtrans-61-45175.3-179.6-103.8000112.1F250 E288 I293 F296 A306 V307 K312 L313 L314F250-Y310 HydrophobicContact CE1-CD1 4.45Å; F250-Y310 HydrophobicContact CZ-CD1 4.1Å; F250-Y310 HydrophobicContact CZ-CE1 4.37Å; E288-Y310 PolarHBondContact OE2-OH 2.8Å; I293-Y310 HydrophobicContact CB-CE1 4.43Å; I293-Y310 HydrophobicContact CG1-CE1 4.21Å; I293-Y310 HydrophobicContact CG2-CE1 4.28Å; F296-Y310 HydrophobicContact CB-CD1 4.32Å; F296-Y310 HydrophobicContact CB-CE1 3.84Å; F296-Y310 AromaticContact CD1-CD1 3.23Å; F296-Y310 HydrophobicContact CD1-CD1 3.23Å; F296-Y310 HydrophobicContact CD1-CD2 4.11Å; F296-Y310 AromaticContact CD1-CE1 3.66Å; F296-Y310 HydrophobicContact CD1-CE1 3.66Å; F296-Y310 HydrophobicContact CD1-CE2 4.48Å; F296-Y310 AromaticContact CD1-CG 3.48Å; F296-Y310 HydrophobicContact CD1-CG 3.48Å; F296-Y310 VanDerWaalsContact CD1-CG 3.48Å; F296-Y310 HydrophobicContact CD2-CD1 4.44Å; F296-Y310 AromaticContact CD2-CD2 3.96Å; F296-Y310 HydrophobicContact CD2-CD2 3.96Å; F296-Y310 HydrophobicContact CD2-CE1 4.48Å; F296-Y310 HydrophobicContact CD2-CE2 4.03Å; F296-Y310 HydrophobicContact CD2-CG 4.17Å; F296-Y310 AromaticContact CE1-CD1 3.59Å; F296-Y310 HydrophobicContact CE1-CD1 3.59Å; F296-Y310 HydrophobicContact CE1-CD2 4.08Å; F296-Y310 HydrophobicContact CE1-CE1 4.42Å; F296-Y310 AromaticContact CE1-CG 3.37Å; F296-Y310 HydrophobicContact CE1-CG 3.37Å; F296-Y310 AromaticContact CE2-CD2 3.9Å; F296-Y310 HydrophobicContact CE2-CD2 3.9Å; F296-Y310 HydrophobicContact CE2-CE2 4.4Å; F296-Y310 HydrophobicContact CE2-CG 4.06Å; F296-Y310 AromaticContact CG-CD1 3.73Å; F296-Y310 HydrophobicContact CG-CD1 3.73Å; F296-Y310 HydrophobicContact CG-CD2 4.08Å; F296-Y310 AromaticContact CG-CE1 3.72Å; F296-Y310 HydrophobicContact CG-CE1 3.72Å; F296-Y310 HydrophobicContact CG-CE2 4.08Å; F296-Y310 AromaticContact CG-CG 3.91Å; F296-Y310 HydrophobicContact CG-CG 3.91Å; F296-Y310 AromaticContact CG-CZ 3.9Å; F296-Y310 VanDerWaalsContact CZ-CB 3.49Å; F296-Y310 HydrophobicContact CZ-CD1 4.32Å; F296-Y310 AromaticContact CZ-CD2 3.97Å; F296-Y310 HydrophobicContact CZ-CD2 3.97Å; F296-Y310 AromaticContact CZ-CG 3.68Å; F296-Y310 HydrophobicContact CZ-CG 3.68Å; A306-Y310 WeakPolarHBondContact O-CB 3.4Å; A306-Y310 PolarHBondContact O-N 3.01Å; V307-Y310 PolarHBondContact O-N 2.8Å; Y310-K312 VanDerWaalsContact C-N 3.31Å; Y310-K312 PolarHBondContact O-N 2.51Å; Y310-L313 WeakPolarHBondContact O-CB 3.47Å; Y310-L313 PolarHBondContact O-N 2.8Å; Y310-L314 HydrophobicContact CD1-CD1 4.46Å; Y310-L314 HydrophobicContact CE1-CD1 4.14Å; Y310-L314 PolarHBondContact O-N 2.84Å
311A96.2Very high96.2Very high1 Ų157.2 Ų57.21%0.00827%0.272CS..Hα-helixtrans-59-40176.300000112.6L246 F250 V307 L308 Q309 L313 L314L246-A311 HydrophobicContact CB-CB 4.43Å; L246-A311 HydrophobicContact CD1-CB 4.35Å; L246-A311 HydrophobicContact CD2-CB 4.31Å; F250-A311 HydrophobicContact CD1-CB 4.18Å; F250-A311 HydrophobicContact CD2-CB 3.52Å; F250-A311 HydrophobicContact CE1-CB 4.13Å; F250-A311 HydrophobicContact CE2-CB 3.48Å; F250-A311 VanDerWaalsContact CE2-CB 3.48Å; F250-A311 HydrophobicContact CG-CB 3.89Å; F250-A311 HydrophobicContact CZ-CB 3.78Å; V307-A311 VanDerWaalsContact O-CB 3.3Å; V307-A311 WeakPolarHBondContact O-CB 3.43Å; V307-A311 PolarHBondContact O-N 3.4Å; L308-A311 PolarHBondContact O-N 3.21Å; Q309-A311 PolarHBondContact O-N 2.67Å; A311-L313 VanDerWaalsContact C-N 3.32Å; A311-L313 PolarHBondContact O-N 3.15Å; A311-L314 PolarHBondContact O-N 2.8Å
312K96.4Very high96.3Very high93 Ų9353.8 Ų53.840%0.40426%0.256SS..Hα-helixtrans-63.1-36174.6-76.2173.5174.3178.80112.2E243 L246 L308 Q309 Y310 L314 K315E243-K312 IonicContact OE1-NZ 3.87Å; E243-K312 VanDerWaalsContact OE2-CE 3.29Å; E243-K312 WeakPolarHBondContact OE2-CE 3.47Å; E243-K312 IonicContact OE2-NZ 3.62Å; E243-K312 PolarHBondContact OE2-NZ 3.1Å; L246-K312 HydrophobicContact CD1-CG 4.01Å; L308-K312 HydrophobicContact CG-CD 4.44Å; L308-K312 WeakPolarHBondContact O-CG 3.3Å; L308-K312 PolarHBondContact O-N 3.28Å; Q309-K312 WeakPolarHBondContact O-CB 3.26Å; Q309-K312 PolarHBondContact O-N 2.94Å; Y310-K312 VanDerWaalsContact C-N 3.31Å; Y310-K312 PolarHBondContact O-N 2.51Å; K312-L314 VanDerWaalsContact C-N 3.25Å; K312-L314 PolarHBondContact O-N 3.32Å; K312-K315 PolarHBondContact O-N 2.89Å
313L96.6Very high96.4Very high107 Ų10745.8 Ų45.856%0.5622%0.218SC*.Hα-helixtrans-65.3-26.9178.4-67.3173.3000113.2S284 Q309 Y310 A311 K315S284-L313 PolarHBondContact OG-O 3.07Å; Q309-L313 WeakPolarHBondContact O-CG 3.47Å; Q309-L313 PolarHBondContact O-N 2.96Å; Q309-L313 VanDerWaalsContact O-N 3.12Å; Y310-L313 WeakPolarHBondContact O-CB 3.47Å; Y310-L313 PolarHBondContact O-N 2.8Å; A311-L313 VanDerWaalsContact C-N 3.32Å; A311-L313 PolarHBondContact O-N 3.15Å; L313-K315 VanDerWaalsContact C-N 3.27Å; L313-K315 PolarHBondContact O-N 3.35Å
314L96.9Very high96.5Very high1 Ų141.9 Ų41.91%0.00520%0.198CC..THydrogen-bonded Turntrans-74.7-12.1178.4-60.9172.9000113.9F250 I255 T283 S284 M285 E288 I293 Y310 A311 K312 L316F250-L314 HydrophobicContact CE2-CD1 3.77Å; F250-L314 HydrophobicContact CZ-CD1 3.88Å; I255-L314 HydrophobicContact CD1-CD1 4.37Å; T283-L314 PolarHBondContact N-O 3.12Å; S284-L314 WeakPolarHBondContact OG-CA 3.16Å; S284-L314 PolarHBondContact OG-O 3.21Å; S284-L314 VanDerWaalsContact OG-O 3.08Å; M285-L314 HydrophobicContact CB-CD2 4.41Å; E288-L314 HydrophobicContact CB-CD2 3.93Å; E288-L314 HydrophobicContact CG-CD2 4.15Å; I293-L314 HydrophobicContact CD1-CD1 3.88Å; I293-L314 HydrophobicContact CD1-CD2 4.09Å; I293-L314 HydrophobicContact CG1-CD1 4.02Å; I293-L314 HydrophobicContact CG1-CD2 4.24Å; I293-L314 HydrophobicContact CG2-CD1 4.24Å; Y310-L314 HydrophobicContact CD1-CD1 4.46Å; Y310-L314 HydrophobicContact CE1-CD1 4.14Å; Y310-L314 PolarHBondContact O-N 2.84Å; A311-L314 PolarHBondContact O-N 2.8Å; K312-L314 VanDerWaalsContact C-N 3.25Å; K312-L314 PolarHBondContact O-N 3.32Å; L314-L316 VanDerWaalsContact C-N 3.35Å; L314-L316 HydrophobicContact CB-CD2 3.69Å; L314-L316 HydrophobicContact CB-CG 3.92Å; L314-L316 HydrophobicContact CD1-CD2 4.46Å; L314-L316 PolarHBondContact O-N 3.35Å
315K96.4Very high96.7Very high126 Ų12634.2 Ų34.255%0.54816%0.162SC..THydrogen-bonded Turntrans44.157.4179.3-63.7-172.4179.8-178.30112.4F240 T283 S284 K312 L313F240-K315 HydrophobicContact CE1-CB 4.22Å; F240-K315 WeakPolarHBondContact CE1-O 3.26Å; T283-K315 PolarHBondContact N-O 3.44Å; T283-K315 WeakPolarHBondContact OG1-CB 3.43Å; T283-K315 PolarHBondContact OG1-O 2.94Å; S284-K315 PolarHBondContact OG-N 2.92Å; K312-K315 PolarHBondContact O-N 2.89Å; L313-K315 VanDerWaalsContact C-N 3.27Å; L313-K315 PolarHBondContact O-N 3.35Å
316L96.6Very high96.7Very high5 Ų530.6 Ų30.63%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-72.6138.1-175.8-56.4-179.3000111.3F240 L241 L246 F250 L253 I255 V280 F281 Q282 L314F240-L316 WeakPolarHBondContact CA-O 3.35Å; F240-L316 WeakPolarHBondContact CD1-O 3.46Å; L241-L316 HydrophobicContact CD1-CB 4.28Å; L241-L316 HydrophobicContact CD2-CB 4.27Å; L241-L316 PolarHBondContact N-O 3.18Å; L246-L316 HydrophobicContact CD2-CD1 4.02Å; F250-L316 HydrophobicContact CD2-CD1 4.22Å; F250-L316 HydrophobicContact CE2-CD1 4.1Å; L253-L316 HydrophobicContact CD1-CD1 3.74Å; I255-L316 HydrophobicContact CD1-CD1 3.71Å; I255-L316 HydrophobicContact CD1-CD2 4.35Å; I255-L316 HydrophobicContact CG1-CD1 4.01Å; I255-L316 HydrophobicContact CG1-CD2 4.26Å; I255-L316 HydrophobicContact CG2-CD2 3.64Å; V280-L316 HydrophobicContact CG2-CB 4.46Å; V280-L316 HydrophobicContact CG2-CD1 4.27Å; F281-L316 WeakPolarHBondContact O-CA 3.48Å; Q282-L316 HydrophobicContact CB-CD2 3.94Å; Q282-L316 HydrophobicContact CG-CD2 4.41Å; L314-L316 VanDerWaalsContact C-N 3.35Å; L314-L316 HydrophobicContact CB-CD2 3.69Å; L314-L316 HydrophobicContact CB-CG 3.92Å; L314-L316 HydrophobicContact CD1-CD2 4.46Å; L314-L316 PolarHBondContact O-N 3.35Å
317R95.5Very high96.8Very high12 Ų1229.6 Ų29.65%0.04514%0.138CC..EExtended strand (participates in β ladder)trans-135159.217368171.7-177.282.7-4.9112.6Y239 F240 F281 T283 E323Y239-R317 WeakPolarHBondContact O-CA 3.45Å; Y239-R317 WeakPolarHBondContact O-CB 3.39Å; F240-R317 HydrophobicContact CD1-CB 3.87Å; F240-R317 HydrophobicContact CE1-CB 4.13Å; F240-R317 HydrophobicContact CG-CB 4.1Å; F281-R317 HydrophobicContact CB-CG 4.13Å; F281-R317 HydrophobicContact CD1-CG 4.18Å; F281-R317 PolarHBondContact N-O 3.08Å; F281-R317 PolarHBondContact O-N 2.77Å; T283-R317 HydrophobicContact CG2-CG 3.86Å; R317-E323 IonicContact CZ-OE1 3.67Å; R317-E323 IonicContact CZ-OE2 2.74Å; R317-E323 IonicContact NH1-OE1 3.86Å; R317-E323 IonicContact NH1-OE2 2.78Å; R317-E323 PolarHBondContact NH1-OE2 2.7Å; R317-E323 IonicContact NH2-OE1 2.82Å; R317-E323 PolarHBondContact NH2-OE1 2.88Å; R317-E323 IonicContact NH2-OE2 3.68Å; R317-E323 PolarHBondContact NH2-OE2 3.49Å
318F96.2Very high96.9Very high30 Ų3028.9 Ų28.913%0.13213%0.134CC..PPolyproline II helixtrans-66.6147.8163.2-65.4-80.2000110.1Y239 L241 Y270 L274 H320Y239-F318 PolarHBondContact O-N 3.29Å; L241-F318 HydrophobicContact CD1-CD2 3.98Å; L241-F318 HydrophobicContact CD1-CE2 3.93Å; L241-F318 HydrophobicContact CD1-CG 4.43Å; L241-F318 HydrophobicContact CD1-CZ 4.32Å; L241-F318 HydrophobicContact CG-CE2 4.27Å; Y270-F318 HydrophobicContact CE1-CB 4.36Å; Y270-F318 HydrophobicContact CE1-CD1 4.1Å; Y270-F318 HydrophobicContact CE2-CD1 4.24Å; Y270-F318 AromaticContact CZ-CD1 3.88Å; Y270-F318 WeakPolarHBondContact O-CE1 3.13Å; L274-F318 HydrophobicContact CD1-CE1 4.5Å; L274-F318 HydrophobicContact CD1-CZ 4.11Å; L274-F318 HydrophobicContact CD2-CE1 3.98Å; L274-F318 HydrophobicContact CD2-CZ 3.78Å; L274-F318 HydrophobicContact CG-CE1 3.96Å; L274-F318 HydrophobicContact CG-CZ 3.95Å; F318-H320 PolarHBondContact O-N 2.85Å
319F96.8Very high97Very high1 Ų130 Ų300%0.00414%0.141CC..PPolyproline II helixtrans-63.6134162.9-76.6-85.8000109.1I224 L228 V256 T263 F266 Y270 S279 F281 E323 V324 M327I224-F319 HydrophobicContact CG2-CE1 3.72Å; I224-F319 HydrophobicContact CG2-CZ 3.85Å; L228-F319 HydrophobicContact CD2-CD1 4.12Å; L228-F319 HydrophobicContact CD2-CE1 3.66Å; V256-F319 HydrophobicContact CG2-CE2 3.63Å; V256-F319 HydrophobicContact CG2-CZ 3.61Å; T263-F319 HydrophobicContact CG2-CE2 4.39Å; T263-F319 HydrophobicContact CG2-CZ 4.29Å; F266-F319 HydrophobicContact CE1-CB 4.38Å; F266-F319 AromaticContact CE1-CD2 3.76Å; F266-F319 HydrophobicContact CE1-CD2 3.76Å; F266-F319 HydrophobicContact CE1-CE2 4.45Å; F266-F319 HydrophobicContact CE1-CG 4.33Å; F266-F319 AromaticContact CZ-CD2 3.69Å; F266-F319 HydrophobicContact CZ-CD2 3.69Å; F266-F319 HydrophobicContact CZ-CE2 4.09Å; F266-F319 HydrophobicContact CZ-CG 4.15Å; Y270-F319 HydrophobicContact CE1-CB 4.3Å; Y270-F319 WeakPolarHBondContact OH-CD2 3.47Å; Y270-F319 PolarHBondContact OH-N 2.87Å; S279-F319 WeakPolarHBondContact O-CD2 3.31Å; F281-F319 HydrophobicContact CB-CD1 4.42Å; F281-F319 HydrophobicContact CB-CD2 4.27Å; F281-F319 HydrophobicContact CB-CE1 4.09Å; F281-F319 HydrophobicContact CB-CE2 3.9Å; F281-F319 HydrophobicContact CB-CZ 3.81Å; F281-F319 HydrophobicContact CD2-CE1 4.03Å; F281-F319 AromaticContact CD2-CZ 3.84Å; F281-F319 HydrophobicContact CD2-CZ 3.84Å; F281-F319 HydrophobicContact CG-CE1 4.23Å; F281-F319 HydrophobicContact CG-CZ 4.18Å; F319-E323 WeakPolarHBondContact CA-OE2 3.42Å; F319-E323 HydrophobicContact CB-CB 4.4Å; F319-E323 HydrophobicContact CD1-CB 3.99Å; F319-V324 HydrophobicContact CB-CG2 3.77Å; F319-M327 HydrophobicContact CB-CE 4.48Å; F319-M327 HydrophobicContact CD1-CE 3.55Å; F319-M327 HydrophobicContact CD2-CE 4.45Å; F319-M327 HydrophobicContact CE1-CE 3.75Å; F319-M327 HydrophobicContact CG-CE 3.92Å; F319-M327 HydrophobicContact CZ-CE 4.3Å
320H96.1Very high97.1Very high11 Ų1124.3 Ų24.35%0.05112%0.115CC..PPolyproline II helixtrans-66.7149.6171.9-177.3-82.7000109.2L229 F318 R322 E323 V324 E342L229-H320 HydrophobicContact CD1-CB 3.94Å; F318-H320 PolarHBondContact O-N 2.85Å; H320-R322 WeakPolarHBondContact ND1-CB 3.27Å; H320-R322 PolarHBondContact ND1-N 3.2Å; H320-R322 PolarHBondContact O-N 3.07Å; H320-E323 HydrophobicContact CB-CG 4.13Å; H320-E323 PolarHBondContact N-OE2 3.5Å; H320-E323 WeakPolarHBondContact O-CA 3.4Å; H320-E323 VanDerWaalsContact O-CB 3.32Å; H320-E323 WeakPolarHBondContact O-CB 3.17Å; H320-E323 PolarHBondContact O-N 3.22Å; H320-V324 PolarHBondContact O-N 3.39Å; H320-E342 WeakPolarHBondContact CA-OE1 3.49Å; H320-E342 IonicContact CD2-OE1 3.73Å; H320-E342 PolarHBondContact CD2-OE1 3.26Å; H320-E342 VanDerWaalsContact CD2-OE1 3.3Å; H320-E342 IonicContact CE1-OE1 2.64Å; H320-E342 IonicContact CE1-OE2 2.66Å; H320-E342 IonicContact CG-OE1 3.39Å; H320-E342 IonicContact ND1-OE1 3.07Å; H320-E342 IonicContact NE2-OE1 2.67Å; H320-E342 IonicContact NE2-OE2 3.05Å
321S96.7Very high97.1Very high2 Ų224.8 Ų24.81%0.01412%0.121CC..Hα-helixtrans-54.7-39.4-176.859.50000111.8E323 V324 A325 E342 R345 L349S321-E323 PolarHBondContact O-N 2.89Å; S321-V324 PolarHBondContact O-N 2.74Å; S321-A325 VanDerWaalsContact O-CB 3.24Å; S321-A325 WeakPolarHBondContact O-CB 3.23Å; S321-A325 PolarHBondContact O-N 3.38Å; S321-E342 VanDerWaalsContact CB-OE1 3.28Å; S321-E342 WeakPolarHBondContact CB-OE1 3.44Å; S321-E342 WeakPolarHBondContact CB-OE2 3.12Å; S321-E342 PolarHBondContact N-OE1 3.34Å; S321-E342 VanDerWaalsContact OG-CD 3.26Å; S321-E342 PolarHBondContact OG-OE1 3.44Å; S321-E342 PolarHBondContact OG-OE2 2.81Å; S321-R345 WeakPolarHBondContact OG-CD 3.22Å; S321-L349 WeakPolarHBondContact O-CD1 3.34Å
322R96.5Very high97Very high26 Ų2633.9 Ų33.910%0.09816%0.16CC..Hα-helixtrans-61.5-38.1172.1-171.560.5-84.9-174.5-12.8113.6L229 H320 A325 N326 F330 P331 F334L229-R322 HydrophobicContact CD2-CB 3.83Å; L229-R322 HydrophobicContact CD2-CG 3.87Å; H320-R322 WeakPolarHBondContact ND1-CB 3.27Å; H320-R322 PolarHBondContact ND1-N 3.2Å; H320-R322 PolarHBondContact O-N 3.07Å; R322-A325 VanDerWaalsContact CZ-CB 3.48Å; R322-A325 VanDerWaalsContact NH2-C 3.31Å; R322-A325 PolarHBondContact O-N 3.08Å; R322-N326 VanDerWaalsContact CZ-OD1 3.31Å; R322-N326 PolarHBondContact NE-OD1 3.27Å; R322-N326 PolarHBondContact NH2-OD1 2.97Å; R322-N326 PolarHBondContact O-N 3.43Å; R322-N326 PolarHBondContact O-ND2 3.31Å; R322-N326 PolarHBondContact O-OD1 3.41Å; R322-N326 VanDerWaalsContact O-OD1 3.07Å; R322-F330 PolarHBondContact NH2-O 3.08Å; R322-P331 PolarHBondContact NH1-O 2.69Å; R322-F334 PolarHBondContact NH1-O 2.63Å
323E97.4Very high97Very high1 Ų134 Ų341%0.00517%0.173CC..Hα-helixtrans-69.5-42.5176.8-55.7175.213400110.5F227 L228 L229 R317 F319 H320 S321 A325 N326 M327F227-E323 WeakPolarHBondContact O-CA 3.44Å; L228-E323 WeakPolarHBondContact CA-OE1 3.38Å; L228-E323 WeakPolarHBondContact CD2-OE1 3.24Å; L229-E323 HydrophobicContact CD2-CG 4.32Å; L229-E323 HydrophobicContact CG-CG 3.75Å; L229-E323 PolarHBondContact N-OE1 3.08Å; L229-E323 VanDerWaalsContact N-OE1 3.12Å; R317-E323 IonicContact CZ-OE1 3.67Å; R317-E323 IonicContact CZ-OE2 2.74Å; R317-E323 IonicContact NH1-OE1 3.86Å; R317-E323 IonicContact NH1-OE2 2.78Å; R317-E323 PolarHBondContact NH1-OE2 2.7Å; R317-E323 IonicContact NH2-OE1 2.82Å; R317-E323 PolarHBondContact NH2-OE1 2.88Å; R317-E323 IonicContact NH2-OE2 3.68Å; R317-E323 PolarHBondContact NH2-OE2 3.49Å; F319-E323 WeakPolarHBondContact CA-OE2 3.42Å; F319-E323 HydrophobicContact CB-CB 4.4Å; F319-E323 HydrophobicContact CD1-CB 3.99Å; H320-E323 HydrophobicContact CB-CG 4.13Å; H320-E323 PolarHBondContact N-OE2 3.5Å; H320-E323 WeakPolarHBondContact O-CA 3.4Å; H320-E323 VanDerWaalsContact O-CB 3.32Å; H320-E323 WeakPolarHBondContact O-CB 3.17Å; H320-E323 PolarHBondContact O-N 3.22Å; S321-E323 PolarHBondContact O-N 2.89Å; E323-A325 VanDerWaalsContact C-N 3.33Å; E323-A325 PolarHBondContact O-N 3.28Å; E323-N326 WeakPolarHBondContact O-CB 3.31Å; E323-N326 PolarHBondContact O-N 2.82Å; E323-M327 HydrophobicContact CB-CE 4.46Å; E323-M327 WeakPolarHBondContact O-CE 3.42Å; E323-M327 PolarHBondContact O-N 3.29Å
324V97.9Very high97.1Very high1 Ų129.1 Ų29.11%0.00615%0.147CC..Hα-helixtrans-59.6-45.7172176.90000110.6F266 Y270 F319 H320 S321 N326 M327 M328 L346 L349F266-V324 HydrophobicContact CB-CG1 3.88Å; F266-V324 HydrophobicContact CD1-CG2 4.06Å; F266-V324 HydrophobicContact CD2-CG1 3.92Å; F266-V324 HydrophobicContact CD2-CG2 4.27Å; F266-V324 HydrophobicContact CE1-CG2 4.22Å; F266-V324 HydrophobicContact CE2-CG2 4.43Å; F266-V324 HydrophobicContact CG-CG1 3.89Å; F266-V324 HydrophobicContact CG-CG2 4.09Å; F266-V324 HydrophobicContact CZ-CG2 4.4Å; Y270-V324 HydrophobicContact CE1-CG2 4.47Å; F319-V324 HydrophobicContact CB-CG2 3.77Å; H320-V324 PolarHBondContact O-N 3.39Å; S321-V324 PolarHBondContact O-N 2.74Å; V324-N326 VanDerWaalsContact C-N 3.31Å; V324-N326 PolarHBondContact O-N 3.36Å; V324-M327 CarbonylContact O-C 3.5Å; V324-M327 PolarHBondContact O-N 3.25Å; V324-M328 HydrophobicContact CG1-CG 4.48Å; V324-M328 HydrophobicContact CG1-SD 4.19Å; V324-M328 VanDerWaalsContact O-CG 3.32Å; V324-M328 WeakPolarHBondContact O-CG 3.22Å; V324-M328 PolarHBondContact O-N 3.35Å; V324-L346 HydrophobicContact CB-CD2 4.2Å; V324-L346 HydrophobicContact CG2-CD2 3.68Å; V324-L349 HydrophobicContact CB-CD1 4.2Å; V324-L349 HydrophobicContact CG1-CB 4.13Å; V324-L349 HydrophobicContact CG1-CD1 4.17Å
325A98.2Very high97.1Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-62.7-36.7177.400000112S321 R322 E323 M328 C329 F330 L349S321-A325 VanDerWaalsContact O-CB 3.24Å; S321-A325 WeakPolarHBondContact O-CB 3.23Å; S321-A325 PolarHBondContact O-N 3.38Å; R322-A325 VanDerWaalsContact CZ-CB 3.48Å; R322-A325 VanDerWaalsContact NH2-C 3.31Å; R322-A325 PolarHBondContact O-N 3.08Å; E323-A325 VanDerWaalsContact C-N 3.33Å; E323-A325 PolarHBondContact O-N 3.28Å; A325-M328 CarbonylContact O-C 3.55Å; A325-M328 WeakPolarHBondContact O-CA 3.47Å; A325-M328 PolarHBondContact O-N 2.87Å; A325-C329 PolarHBondContact O-N 2.75Å; A325-F330 HydrophobicContact CB-CB 4.09Å; A325-F330 HydrophobicContact CB-CD2 4.43Å; A325-F330 HydrophobicContact CB-CG 4.44Å; A325-F330 WeakPolarHBondContact O-CB 3.44Å; A325-F330 PolarHBondContact O-N 3.48Å; A325-L349 HydrophobicContact CB-CD1 3.97Å; A325-L349 HydrophobicContact CB-CD2 3.73Å
326N98Very high97.1Very high35 Ų3527.2 Ų27.219%0.18714%0.142CC..Hα-helixtrans-62.3-45.8172.8-65.1-14000111.3F227 R322 E323 V324 M328 C329F227-N326 HydrophobicContact CB-CB 4.15Å; F227-N326 HydrophobicContact CD1-CB 4.12Å; F227-N326 PolarHBondContact O-ND2 3.3Å; R322-N326 VanDerWaalsContact CZ-OD1 3.31Å; R322-N326 PolarHBondContact NE-OD1 3.27Å; R322-N326 PolarHBondContact NH2-OD1 2.97Å; R322-N326 PolarHBondContact O-N 3.43Å; R322-N326 PolarHBondContact O-ND2 3.31Å; R322-N326 PolarHBondContact O-OD1 3.41Å; R322-N326 VanDerWaalsContact O-OD1 3.07Å; E323-N326 WeakPolarHBondContact O-CB 3.31Å; E323-N326 PolarHBondContact O-N 2.82Å; V324-N326 VanDerWaalsContact C-N 3.31Å; V324-N326 PolarHBondContact O-N 3.36Å; N326-M328 PolarHBondContact O-N 3.46Å; N326-C329 WeakPolarHBondContact O-CA 3.49Å; N326-C329 PolarHBondContact O-N 3.3Å
327M98.2Very high97.2Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-67.4-22.1175.2-72.3-177.3-87.700112.9I151 N153 F227 T263 F266 F319 E323 V324 C329 N354I151-M327 WeakPolarHBondContact CG2-O 3.32Å; N153-M327 HydrophobicContact CB-CB 4.42Å; F227-M327 HydrophobicContact CB-CG 3.68Å; F227-M327 HydrophobicContact CD1-CB 4.48Å; F227-M327 HydrophobicContact CD1-CG 3.9Å; F227-M327 HydrophobicContact CD2-CG 4.49Å; F227-M327 HydrophobicContact CG-CG 3.77Å; T263-M327 HydrophobicContact CG2-SD 3.82Å; F266-M327 HydrophobicContact CE2-CE 3.56Å; F266-M327 HydrophobicContact CE2-SD 3.76Å; F266-M327 HydrophobicContact CZ-CE 3.66Å; F266-M327 HydrophobicContact CZ-SD 4.2Å; F319-M327 HydrophobicContact CB-CE 4.48Å; F319-M327 HydrophobicContact CD1-CE 3.55Å; F319-M327 HydrophobicContact CD2-CE 4.45Å; F319-M327 HydrophobicContact CE1-CE 3.75Å; F319-M327 HydrophobicContact CG-CE 3.92Å; F319-M327 HydrophobicContact CZ-CE 4.3Å; E323-M327 HydrophobicContact CB-CE 4.46Å; E323-M327 WeakPolarHBondContact O-CE 3.42Å; E323-M327 PolarHBondContact O-N 3.29Å; V324-M327 CarbonylContact O-C 3.5Å; V324-M327 PolarHBondContact O-N 3.25Å; M327-C329 VanDerWaalsContact C-N 3.26Å; M327-N354 PolarHBondContact O-ND2 3.25Å
328M98.4Very high97.2Very high0 Ų035.9 Ų35.90%018%0.184CC..THydrogen-bonded Turntrans-873.9169.4-66.1-170.870.200113.2V324 A325 N326 F330 L349 S352 V353 I355V324-M328 HydrophobicContact CG1-CG 4.48Å; V324-M328 HydrophobicContact CG1-SD 4.19Å; V324-M328 VanDerWaalsContact O-CG 3.32Å; V324-M328 WeakPolarHBondContact O-CG 3.22Å; V324-M328 PolarHBondContact O-N 3.35Å; A325-M328 CarbonylContact O-C 3.55Å; A325-M328 WeakPolarHBondContact O-CA 3.47Å; A325-M328 PolarHBondContact O-N 2.87Å; N326-M328 PolarHBondContact O-N 3.46Å; M328-F330 VanDerWaalsContact C-N 3.25Å; M328-F330 HydrophobicContact CB-CD2 3.73Å; M328-F330 HydrophobicContact CB-CE2 3.98Å; M328-F330 HydrophobicContact CE-CE2 4.39Å; M328-F330 PolarHBondContact O-N 2.97Å; M328-L349 WeakPolarHBondContact CE-O 3.12Å; M328-L349 HydrophobicContact SD-CB 3.97Å; M328-L349 HydrophobicContact SD-CD2 4.33Å; M328-S352 WeakPolarHBondContact CE-O 3.37Å; M328-V353 VanDerWaalsContact CE-O 3.23Å; M328-V353 WeakPolarHBondContact CE-O 3.41Å; M328-I355 WeakPolarHBondContact O-CG1 3.39Å; M328-I355 PolarHBondContact O-N 2.95Å
329C98.4Very high97.2Very high29 Ų2940.4 Ų40.420%0.19621%0.205CC..THydrogen-bonded Turntrans61.625.6179.1-550000114.7A325 N326 M327 I355 L356A325-C329 PolarHBondContact O-N 2.75Å; N326-C329 WeakPolarHBondContact O-CA 3.49Å; N326-C329 PolarHBondContact O-N 3.3Å; M327-C329 VanDerWaalsContact C-N 3.26Å; C329-I355 HydrophobicContact CB-CB 4.13Å; C329-I355 WeakPolarHBondContact O-CB 3.39Å; C329-L356 HydrophobicContact CB-CB 3.89Å
330F98.5Very high97.2Very high6 Ų640.5 Ų40.53%0.02621%0.206CC..  trans-66133.7167.9-81.1-98.8000110.2I10 I15 R322 A325 M328 F334 L349 S352 I355I10-F330 HydrophobicContact CD1-CE1 4.13Å; I10-F330 HydrophobicContact CD1-CZ 3.77Å; I10-F330 HydrophobicContact CG1-CE1 4.35Å; I10-F330 HydrophobicContact CG1-CZ 4.12Å; I15-F330 HydrophobicContact CD1-CD1 3.39Å; I15-F330 HydrophobicContact CD1-CE1 3.51Å; R322-F330 PolarHBondContact NH2-O 3.08Å; A325-F330 HydrophobicContact CB-CB 4.09Å; A325-F330 HydrophobicContact CB-CD2 4.43Å; A325-F330 HydrophobicContact CB-CG 4.44Å; A325-F330 WeakPolarHBondContact O-CB 3.44Å; A325-F330 PolarHBondContact O-N 3.48Å; M328-F330 VanDerWaalsContact C-N 3.25Å; M328-F330 HydrophobicContact CB-CD2 3.73Å; M328-F330 HydrophobicContact CB-CE2 3.98Å; M328-F330 HydrophobicContact CE-CE2 4.39Å; M328-F330 PolarHBondContact O-N 2.97Å; F330-F334 HydrophobicContact CB-CB 4.35Å; F330-F334 HydrophobicContact CB-CD1 4.14Å; F330-F334 HydrophobicContact CB-CG 4.42Å; F330-F334 HydrophobicContact CD1-CB 4.05Å; F330-F334 AromaticContact CD1-CD1 3.42Å; F330-F334 HydrophobicContact CD1-CD1 3.42Å; F330-F334 VanDerWaalsContact CD1-CD1 3.42Å; F330-F334 AromaticContact CD1-CD2 3.77Å; F330-F334 HydrophobicContact CD1-CD2 3.77Å; F330-F334 AromaticContact CD1-CE1 3.72Å; F330-F334 HydrophobicContact CD1-CE1 3.72Å; F330-F334 HydrophobicContact CD1-CE2 4.04Å; F330-F334 AromaticContact CD1-CG 3.45Å; F330-F334 HydrophobicContact CD1-CG 3.45Å; F330-F334 VanDerWaalsContact CD1-CG 3.45Å; F330-F334 HydrophobicContact CD1-CZ 4.03Å; F330-F334 HydrophobicContact CE1-CD1 4.06Å; F330-F334 HydrophobicContact CE1-CD2 4.01Å; F330-F334 AromaticContact CE1-CE1 3.9Å; F330-F334 HydrophobicContact CE1-CE1 3.9Å; F330-F334 AromaticContact CE1-CE2 3.84Å; F330-F334 HydrophobicContact CE1-CE2 3.84Å; F330-F334 HydrophobicContact CE1-CG 4.11Å; F330-F334 AromaticContact CE1-CZ 3.8Å; F330-F334 HydrophobicContact CE1-CZ 3.8Å; F330-F334 HydrophobicContact CG-CD1 4.04Å; F330-F334 HydrophobicContact CG-CE1 4.42Å; F330-F334 HydrophobicContact CG-CG 4.34Å; F330-L349 HydrophobicContact CD2-CD2 4.12Å; F330-L349 HydrophobicContact CE2-CD2 3.91Å; F330-L349 HydrophobicContact CZ-CD2 4.34Å; F330-S352 VanDerWaalsContact CZ-OG 3.25Å; F330-S352 WeakPolarHBondContact CZ-OG 3.14Å; F330-I355 HydrophobicContact CD1-CD1 4.38Å; F330-I355 HydrophobicContact CD1-CG1 4.37Å; F330-I355 HydrophobicContact CD2-CD1 4.32Å; F330-I355 HydrophobicContact CD2-CG1 3.94Å; F330-I355 HydrophobicContact CE1-CD1 4.15Å; F330-I355 HydrophobicContact CE2-CD1 4.05Å; F330-I355 HydrophobicContact CE2-CG1 4.16Å; F330-I355 HydrophobicContact CG-CD1 4.48Å; F330-I355 HydrophobicContact CG-CG1 4.07Å; F330-I355 HydrophobicContact CZ-CD1 3.98Å; F330-I355 HydrophobicContact CZ-CG1 4.48Å
331P97.1Very high97.2Very high33 Ų3343.6 Ų43.621%0.21423%0.225CC..  trans-63.3160.4178.928.4-35.7000111.2I15 R322 S333 F334I15-P331 HydrophobicContact CG2-CG 3.98Å; R322-P331 PolarHBondContact NH1-O 2.69Å; P331-S333 PolarHBondContact O-N 3.26Å; P331-F334 HydrophobicContact CG-CB 4.18Å; P331-F334 WeakPolarHBondContact O-CB 3.48Å; P331-F334 PolarHBondContact O-N 2.94Å; P331-F334 VanDerWaalsContact O-N 3.07Å
332K94.9Very high97.1Very high192 Ų19244.3 Ų44.384%0.83523%0.229SC*.THydrogen-bonded Turntrans-63.8-23.7176.6-68.5-173177.9-177.50113F334K332-F334 VanDerWaalsContact C-N 3.28Å
333S95.9Very high97Very high96 Ų9649.2 Ų49.267%0.67125%0.251SS*.THydrogen-bonded Turntrans-73.9-17.1174.9520000113.6P331P331-S333 PolarHBondContact O-N 3.26Å
334F97.8Very high97Very high4 Ų452.2 Ų52.22%0.01827%0.265CS..  trans-77.8129.2173.4175.6-93.5000110.1I10 I15 V39 N43 R322 F330 P331 K332 F336I10-F334 HydrophobicContact CB-CZ 4.22Å; I10-F334 HydrophobicContact CD1-CE1 4.45Å; I10-F334 HydrophobicContact CD1-CZ 3.9Å; I10-F334 HydrophobicContact CG1-CZ 4.28Å; I15-F334 HydrophobicContact CD1-CB 4.21Å; I15-F334 HydrophobicContact CD1-CD2 3.56Å; I15-F334 HydrophobicContact CD1-CE2 4.22Å; I15-F334 HydrophobicContact CD1-CG 4.07Å; V39-F334 HydrophobicContact CG1-CE2 4.19Å; V39-F334 HydrophobicContact CG1-CZ 3.83Å; N43-F334 HydrophobicContact CB-CD2 4.18Å; N43-F334 HydrophobicContact CB-CE2 4.38Å; N43-F334 VanDerWaalsContact ND2-CE2 3.3Å; N43-F334 WeakPolarHBondContact ND2-CE2 3.31Å; N43-F334 WeakPolarHBondContact OD1-CA 3.12Å; N43-F334 VanDerWaalsContact OD1-CD2 3.27Å; N43-F334 WeakPolarHBondContact OD1-CD2 3.28Å; R322-F334 PolarHBondContact NH1-O 2.63Å; F330-F334 HydrophobicContact CB-CB 4.35Å; F330-F334 HydrophobicContact CB-CD1 4.14Å; F330-F334 HydrophobicContact CB-CG 4.42Å; F330-F334 HydrophobicContact CD1-CB 4.05Å; F330-F334 AromaticContact CD1-CD1 3.42Å; F330-F334 HydrophobicContact CD1-CD1 3.42Å; F330-F334 VanDerWaalsContact CD1-CD1 3.42Å; F330-F334 AromaticContact CD1-CD2 3.77Å; F330-F334 HydrophobicContact CD1-CD2 3.77Å; F330-F334 AromaticContact CD1-CE1 3.72Å; F330-F334 HydrophobicContact CD1-CE1 3.72Å; F330-F334 HydrophobicContact CD1-CE2 4.04Å; F330-F334 AromaticContact CD1-CG 3.45Å; F330-F334 HydrophobicContact CD1-CG 3.45Å; F330-F334 VanDerWaalsContact CD1-CG 3.45Å; F330-F334 HydrophobicContact CD1-CZ 4.03Å; F330-F334 HydrophobicContact CE1-CD1 4.06Å; F330-F334 HydrophobicContact CE1-CD2 4.01Å; F330-F334 AromaticContact CE1-CE1 3.9Å; F330-F334 HydrophobicContact CE1-CE1 3.9Å; F330-F334 AromaticContact CE1-CE2 3.84Å; F330-F334 HydrophobicContact CE1-CE2 3.84Å; F330-F334 HydrophobicContact CE1-CG 4.11Å; F330-F334 AromaticContact CE1-CZ 3.8Å; F330-F334 HydrophobicContact CE1-CZ 3.8Å; F330-F334 HydrophobicContact CG-CD1 4.04Å; F330-F334 HydrophobicContact CG-CE1 4.42Å; F330-F334 HydrophobicContact CG-CG 4.34Å; P331-F334 HydrophobicContact CG-CB 4.18Å; P331-F334 WeakPolarHBondContact O-CB 3.48Å; P331-F334 PolarHBondContact O-N 2.94Å; P331-F334 VanDerWaalsContact O-N 3.07Å; K332-F334 VanDerWaalsContact C-N 3.28Å; F334-F336 HydrophobicContact CE1-CD2 4.31Å; F334-F336 HydrophobicContact CE1-CE1 4.31Å; F334-F336 AromaticContact CE1-CE2 3.68Å; F334-F336 HydrophobicContact CE1-CE2 3.68Å; F334-F336 AromaticContact CE1-CZ 3.67Å; F334-F336 HydrophobicContact CE1-CZ 3.67Å; F334-F336 HydrophobicContact CZ-CE1 4.33Å; F334-F336 HydrophobicContact CZ-CE2 4.46Å; F334-F336 HydrophobicContact CZ-CZ 4.1Å
335D97Very high97Very high79 Ų7954.4 Ų54.442%0.42227%0.273SS..  trans-146.8169.3179.4-155.64.3000112.6Y42 N43Y42-D335 WeakPolarHBondContact CD1-O 3.35Å; Y42-D335 HydrophobicContact CE1-CB 4.08Å; N43-D335 PolarHBondContact ND2-O 2.61Å; N43-D335 PolarHBondContact OD1-N 3.42Å; N43-D335 PolarHBondContact OD1-O 2.86Å
336F97.7Very high96.9Very high9 Ų954.9 Ų54.94%0.03928%0.276CS..  trans-104.8144.6178.7-65.1-91.6000110.5I10 V39 F334 I340 R345 L348 L349I10-F336 HydrophobicContact CD1-CZ 4.48Å; V39-F336 HydrophobicContact CB-CD1 4.43Å; V39-F336 HydrophobicContact CG1-CD1 3.75Å; V39-F336 HydrophobicContact CG1-CE1 3.93Å; V39-F336 HydrophobicContact CG2-CD1 3.71Å; V39-F336 HydrophobicContact CG2-CE1 4.26Å; F334-F336 HydrophobicContact CE1-CD2 4.31Å; F334-F336 HydrophobicContact CE1-CE1 4.31Å; F334-F336 AromaticContact CE1-CE2 3.68Å; F334-F336 HydrophobicContact CE1-CE2 3.68Å; F334-F336 AromaticContact CE1-CZ 3.67Å; F334-F336 HydrophobicContact CE1-CZ 3.67Å; F334-F336 HydrophobicContact CZ-CE1 4.33Å; F334-F336 HydrophobicContact CZ-CE2 4.46Å; F334-F336 HydrophobicContact CZ-CZ 4.1Å; F336-I340 HydrophobicContact CB-CB 4.45Å; F336-I340 HydrophobicContact CD1-CG2 4.29Å; F336-R345 HydrophobicContact CB-CG 4.01Å; F336-R345 HydrophobicContact CD1-CB 4.17Å; F336-R345 HydrophobicContact CD1-CG 3.7Å; F336-R345 HydrophobicContact CD2-CB 4.18Å; F336-R345 HydrophobicContact CD2-CG 3.83Å; F336-R345 HydrophobicContact CE1-CB 4.04Å; F336-R345 HydrophobicContact CE1-CG 4.09Å; F336-R345 HydrophobicContact CE2-CB 4.04Å; F336-R345 HydrophobicContact CE2-CG 4.2Å; F336-R345 HydrophobicContact CG-CB 4.25Å; F336-R345 HydrophobicContact CG-CG 3.56Å; F336-R345 HydrophobicContact CZ-CB 3.97Å; F336-R345 HydrophobicContact CZ-CG 4.33Å; F336-L348 HydrophobicContact CD1-CD1 4.4Å; F336-L348 HydrophobicContact CE1-CB 4.45Å; F336-L348 HydrophobicContact CE1-CD1 4.02Å; F336-L349 HydrophobicContact CE2-CD1 4.31Å; F336-L349 HydrophobicContact CZ-CD1 4.1Å; F336-L349 HydrophobicContact CZ-CD2 4.13Å; F336-L349 HydrophobicContact CZ-CG 3.88Å
337P97.4Very high96.8Very high10 Ų1060.3 Ų60.37%0.06529%0.293CS..  trans-54.6146.5168-20.830.6000111.5Y42 H339 I340Y42-P337 HydrophobicContact CD1-CG 4.49Å; Y42-P337 HydrophobicContact CD2-CB 4.33Å; Y42-P337 HydrophobicContact CD2-CG 3.98Å; Y42-P337 HydrophobicContact CG-CG 3.82Å; P337-H339 WeakPolarHBondContact CB-CE1 3.09Å; P337-H339 PolarHBondContact O-N 2.92Å; P337-I340 HydrophobicContact CB-CG1 4.1Å; P337-I340 HydrophobicContact CG-CG1 4.13Å; P337-I340 WeakPolarHBondContact O-CB 3.39Å; P337-I340 PolarHBondContact O-N 3.49Å
338E95.3Very high96.8Very high189 Ų18961.2 Ų61.288%0.88330%0.298SS*.THydrogen-bonded Turntrans-56.6-36.9-175.3-66-175.3165.500113.3I340E338-I340 PolarHBondContact O-N 3.37Å
339H96.8Very high96.8Very high125 Ų12561.2 Ų61.258%0.57930%0.298SS*.THydrogen-bonded Turntrans-72.3-10.1-17969.2-88.4000114P337 T341P337-H339 WeakPolarHBondContact CB-CE1 3.09Å; P337-H339 PolarHBondContact O-N 2.92Å; H339-T341 PolarHBondContact O-N 3.43Å
340I97.5Very high96.7Very high2 Ų260 Ų601%0.0129%0.291CS..SBendtrans-82.9112176.7-57.7-53.4000109.4V35 V39 F336 P337 E338 Q344 R345 L348V35-I340 HydrophobicContact CG1-CD1 3.77Å; V39-I340 HydrophobicContact CG2-CG1 4.11Å; F336-I340 HydrophobicContact CB-CB 4.45Å; F336-I340 HydrophobicContact CD1-CG2 4.29Å; P337-I340 HydrophobicContact CB-CG1 4.1Å; P337-I340 HydrophobicContact CG-CG1 4.13Å; P337-I340 WeakPolarHBondContact O-CB 3.39Å; P337-I340 PolarHBondContact O-N 3.49Å; E338-I340 PolarHBondContact O-N 3.37Å; I340-Q344 HydrophobicContact CG2-CB 3.71Å; I340-R345 HydrophobicContact CG2-CG 3.77Å; I340-R345 PolarHBondContact O-NE 3.38Å; I340-R345 PolarHBondContact O-NH2 2.85Å; I340-L348 HydrophobicContact CG2-CD1 4.44Å
341T95.6Very high96.5Very high76 Ų7664 Ų6447%0.46631%0.312SS..  trans-63.3152.1-179.564.50000112.3H339 K343 Q344 R345H339-T341 PolarHBondContact O-N 3.43Å; T341-K343 PolarHBondContact O-N 2.81Å; T341-K343 VanDerWaalsContact O-N 3.13Å; T341-Q344 WeakPolarHBondContact O-CA 3.13Å; T341-Q344 WeakPolarHBondContact O-CB 3.46Å; T341-Q344 PolarHBondContact O-N 2.81Å; T341-Q344 WeakPolarHBondContact OG1-CG 3.3Å; T341-Q344 PolarHBondContact OG1-N 2.89Å; T341-Q344 PolarHBondContact OG1-OE1 3.05Å; T341-R345 WeakPolarHBondContact O-CG 3.38Å; T341-R345 PolarHBondContact O-N 2.81Å
342E95Very high96.5Very high17 Ų1762.9 Ų62.98%0.07931%0.305CS..Hα-helixtrans-52.8-39.5178.1-176.266.8-179.600113.2Y239 H320 S321 Q344 R345 L346Y239-E342 HydrophobicContact CD2-CG 4.12Å; Y239-E342 HydrophobicContact CE2-CB 4.02Å; Y239-E342 HydrophobicContact CE2-CG 3.59Å; H320-E342 WeakPolarHBondContact CA-OE1 3.49Å; H320-E342 IonicContact CD2-OE1 3.73Å; H320-E342 PolarHBondContact CD2-OE1 3.26Å; H320-E342 VanDerWaalsContact CD2-OE1 3.3Å; H320-E342 IonicContact CE1-OE1 2.64Å; H320-E342 IonicContact CE1-OE2 2.66Å; H320-E342 IonicContact CG-OE1 3.39Å; H320-E342 IonicContact ND1-OE1 3.07Å; H320-E342 IonicContact NE2-OE1 2.67Å; H320-E342 IonicContact NE2-OE2 3.05Å; S321-E342 VanDerWaalsContact CB-OE1 3.28Å; S321-E342 WeakPolarHBondContact CB-OE1 3.44Å; S321-E342 WeakPolarHBondContact CB-OE2 3.12Å; S321-E342 PolarHBondContact N-OE1 3.34Å; S321-E342 VanDerWaalsContact OG-CD 3.26Å; S321-E342 PolarHBondContact OG-OE1 3.44Å; S321-E342 PolarHBondContact OG-OE2 2.81Å; E342-Q344 VanDerWaalsContact C-N 3.35Å; E342-Q344 PolarHBondContact O-N 3.26Å; E342-R345 WeakPolarHBondContact O-CB 3.43Å; E342-R345 PolarHBondContact O-N 3.05Å; E342-R345 WeakPolarHBondContact OE2-CD 3.32Å; E342-R345 IonicContact OE2-NH1 3.2Å; E342-L346 WeakPolarHBondContact O-CG 3.36Å; E342-L346 PolarHBondContact O-N 3.12Å
343K94.6Very high96.6Very high129 Ų12953.9 Ų53.956%0.56127%0.267SS*.Hα-helixtrans-62.1-39.9175.2-175.3173.6-174.9172.40112.7T341 R347T341-K343 PolarHBondContact O-N 2.81Å; T341-K343 VanDerWaalsContact O-N 3.13Å; K343-R347 WeakPolarHBondContact O-CB 3.29Å; K343-R347 PolarHBondContact O-N 3.4Å; K343-R347 VanDerWaalsContact O-N 3.16Å
344Q96.6Very high96.8Very high65 Ų6549.3 Ų49.330%0.30424%0.235SC..Hα-helixtrans-68-42.8174.4-73.2163.7-5300110.8I340 T341 E342 L346 R347 L348I340-Q344 HydrophobicContact CG2-CB 3.71Å; T341-Q344 WeakPolarHBondContact O-CA 3.13Å; T341-Q344 WeakPolarHBondContact O-CB 3.46Å; T341-Q344 PolarHBondContact O-N 2.81Å; T341-Q344 WeakPolarHBondContact OG1-CG 3.3Å; T341-Q344 PolarHBondContact OG1-N 2.89Å; T341-Q344 PolarHBondContact OG1-OE1 3.05Å; E342-Q344 VanDerWaalsContact C-N 3.35Å; E342-Q344 PolarHBondContact O-N 3.26Å; Q344-L346 PolarHBondContact O-N 3.41Å; Q344-R347 WeakPolarHBondContact O-CB 3.33Å; Q344-R347 PolarHBondContact O-N 3.32Å; Q344-R347 VanDerWaalsContact O-N 3.14Å; Q344-L348 VanDerWaalsContact O-CG 3.29Å; Q344-L348 WeakPolarHBondContact O-CG 3.39Å; Q344-L348 PolarHBondContact O-N 3.42Å
345R97.6Very high96.8Very high47 Ų4749.2 Ų49.218%0.17723%0.234CC..Hα-helixtrans-56-51.2177.1-58.3178.4-172.5176.1-10.2111.6S321 F336 I340 T341 E342 R347 L348 L349S321-R345 WeakPolarHBondContact OG-CD 3.22Å; F336-R345 HydrophobicContact CB-CG 4.01Å; F336-R345 HydrophobicContact CD1-CB 4.17Å; F336-R345 HydrophobicContact CD1-CG 3.7Å; F336-R345 HydrophobicContact CD2-CB 4.18Å; F336-R345 HydrophobicContact CD2-CG 3.83Å; F336-R345 HydrophobicContact CE1-CB 4.04Å; F336-R345 HydrophobicContact CE1-CG 4.09Å; F336-R345 HydrophobicContact CE2-CB 4.04Å; F336-R345 HydrophobicContact CE2-CG 4.2Å; F336-R345 HydrophobicContact CG-CB 4.25Å; F336-R345 HydrophobicContact CG-CG 3.56Å; F336-R345 HydrophobicContact CZ-CB 3.97Å; F336-R345 HydrophobicContact CZ-CG 4.33Å; I340-R345 HydrophobicContact CG2-CG 3.77Å; I340-R345 PolarHBondContact O-NE 3.38Å; I340-R345 PolarHBondContact O-NH2 2.85Å; T341-R345 WeakPolarHBondContact O-CG 3.38Å; T341-R345 PolarHBondContact O-N 2.81Å; E342-R345 WeakPolarHBondContact O-CB 3.43Å; E342-R345 PolarHBondContact O-N 3.05Å; E342-R345 WeakPolarHBondContact OE2-CD 3.32Å; E342-R345 IonicContact OE2-NH1 3.2Å; R345-R347 VanDerWaalsContact C-N 3.32Å; R345-R347 PolarHBondContact O-N 3.15Å; R345-L348 PolarHBondContact O-N 2.96Å; R345-L349 WeakPolarHBondContact O-CB 3.07Å; R345-L349 WeakPolarHBondContact O-CG 3.33Å; R345-L349 PolarHBondContact O-N 3.49Å
346L97.1Very high96.9Very high10 Ų1046.8 Ų46.85%0.05222%0.221CC..Hα-helixtrans-60.5-39.1176.6-70.2172.6000112.6Y270 V324 E342 Q344 G350Y270-L346 HydrophobicContact CD1-CD1 4.26Å; Y270-L346 HydrophobicContact CD1-CD2 4.11Å; Y270-L346 HydrophobicContact CE1-CD2 4.42Å; V324-L346 HydrophobicContact CB-CD2 4.2Å; V324-L346 HydrophobicContact CG2-CD2 3.68Å; E342-L346 WeakPolarHBondContact O-CG 3.36Å; E342-L346 PolarHBondContact O-N 3.12Å; Q344-L346 PolarHBondContact O-N 3.41Å; L346-G350 PolarHBondContact O-N 2.96Å
347R96.3Very high96.9Very high148 Ų14846.3 Ų46.356%0.55822%0.219SC*.Hα-helixtrans-64.9-41.4176.9-179.5-178.6173.7-179.8-2.1112.1K268 K343 Q344 R345 N351K268-R347 HydrophobicContact CB-CG 4.2Å; K343-R347 WeakPolarHBondContact O-CB 3.29Å; K343-R347 PolarHBondContact O-N 3.4Å; K343-R347 VanDerWaalsContact O-N 3.16Å; Q344-R347 WeakPolarHBondContact O-CB 3.33Å; Q344-R347 PolarHBondContact O-N 3.32Å; Q344-R347 VanDerWaalsContact O-N 3.14Å; R345-R347 VanDerWaalsContact C-N 3.32Å; R345-R347 PolarHBondContact O-N 3.15Å; R347-N351 PolarHBondContact O-N 2.95Å; R347-N351 PolarHBondContact O-ND2 2.73Å
348L97.7Very high96.9Very high19 Ų1945.9 Ų45.910%0.09922%0.216CC..Hα-helixtrans-67.9-48.7178.6-70.3170000110.9I10 V35 A36 V39 F336 I340 Q344 R345 G350 N351 S352I10-L348 HydrophobicContact CD1-CB 4.39Å; I10-L348 HydrophobicContact CG2-CB 3.79Å; I10-L348 HydrophobicContact CG2-CD1 3.9Å; I10-L348 HydrophobicContact CG2-CD2 3.95Å; I10-L348 HydrophobicContact CG2-CG 4.1Å; V35-L348 HydrophobicContact CG1-CD1 4.07Å; A36-L348 HydrophobicContact CB-CD2 3.75Å; V39-L348 HydrophobicContact CG2-CD1 3.81Å; F336-L348 HydrophobicContact CD1-CD1 4.4Å; F336-L348 HydrophobicContact CE1-CB 4.45Å; F336-L348 HydrophobicContact CE1-CD1 4.02Å; I340-L348 HydrophobicContact CG2-CD1 4.44Å; Q344-L348 VanDerWaalsContact O-CG 3.29Å; Q344-L348 WeakPolarHBondContact O-CG 3.39Å; Q344-L348 PolarHBondContact O-N 3.42Å; R345-L348 PolarHBondContact O-N 2.96Å; L348-G350 VanDerWaalsContact C-N 3.29Å; L348-G350 PolarHBondContact O-N 2.88Å; L348-N351 CarbonylContact O-C 3.39Å; L348-N351 PolarHBondContact O-N 3.49Å; L348-S352 PolarHBondContact O-N 3.49Å
349L97.9Very high97.1Very high0 Ų036.9 Ų36.90%017%0.174CC..Hα-helixtrans-56.3-43.6174.6-71.6166000111.4I10 S321 V324 A325 M328 F330 F336 R345 N351 S352I10-L349 HydrophobicContact CD1-CD2 4.01Å; S321-L349 WeakPolarHBondContact O-CD1 3.34Å; V324-L349 HydrophobicContact CB-CD1 4.2Å; V324-L349 HydrophobicContact CG1-CB 4.13Å; V324-L349 HydrophobicContact CG1-CD1 4.17Å; A325-L349 HydrophobicContact CB-CD1 3.97Å; A325-L349 HydrophobicContact CB-CD2 3.73Å; M328-L349 WeakPolarHBondContact CE-O 3.12Å; M328-L349 HydrophobicContact SD-CB 3.97Å; M328-L349 HydrophobicContact SD-CD2 4.33Å; F330-L349 HydrophobicContact CD2-CD2 4.12Å; F330-L349 HydrophobicContact CE2-CD2 3.91Å; F330-L349 HydrophobicContact CZ-CD2 4.34Å; F336-L349 HydrophobicContact CE2-CD1 4.31Å; F336-L349 HydrophobicContact CZ-CD1 4.1Å; F336-L349 HydrophobicContact CZ-CD2 4.13Å; F336-L349 HydrophobicContact CZ-CG 3.88Å; R345-L349 WeakPolarHBondContact O-CB 3.07Å; R345-L349 WeakPolarHBondContact O-CG 3.33Å; R345-L349 PolarHBondContact O-N 3.49Å; L349-N351 PolarHBondContact O-N 3.43Å; L349-N351 VanDerWaalsContact O-N 3.1Å; L349-S352 WeakPolarHBondContact O-CB 3.29Å; L349-S352 PolarHBondContact O-N 3.24Å
350G95.7Very high97.1Very high5 Ų531 Ų315%0.05215%0.147CC..Hα-helixtrans-57.4-28.4176.700000114.7R155 F266 L346 L348R155-G350 PolarHBondContact NH1-O 2.99Å; R155-G350 PolarHBondContact NH2-O 3.42Å; F266-G350 WeakPolarHBondContact O-CA 3.4Å; L346-G350 PolarHBondContact O-N 2.96Å; L348-G350 VanDerWaalsContact C-N 3.29Å; L348-G350 PolarHBondContact O-N 2.88Å
351N95.1Very high97Very high88 Ų8830.9 Ų30.947%0.47115%0.147SC..THydrogen-bonded Turntrans-92.8-2.5175.3-60.7-43.4000113.8K268 R347 L348 L349K268-N351 VanDerWaalsContact CB-OD1 3.29Å; K268-N351 WeakPolarHBondContact CB-OD1 3.37Å; K268-N351 WeakPolarHBondContact CD-OD1 3.39Å; R347-N351 PolarHBondContact O-N 2.95Å; R347-N351 PolarHBondContact O-ND2 2.73Å; L348-N351 CarbonylContact O-C 3.39Å; L348-N351 PolarHBondContact O-N 3.49Å; L349-N351 PolarHBondContact O-N 3.43Å; L349-N351 VanDerWaalsContact O-N 3.1Å
352S97.1Very high97Very high10 Ų1027.3 Ų27.37%0.0712%0.124CC..SBendtrans-87.6168.6-178.2-168.60000112.4R155 M328 F330 L348 L349R155-S352 PolarHBondContact NE-O 3.33Å; R155-S352 PolarHBondContact NH2-O 3.5Å; M328-S352 WeakPolarHBondContact CE-O 3.37Å; F330-S352 VanDerWaalsContact CZ-OG 3.25Å; F330-S352 WeakPolarHBondContact CZ-OG 3.14Å; L348-S352 PolarHBondContact O-N 3.49Å; L349-S352 WeakPolarHBondContact O-CB 3.29Å; L349-S352 PolarHBondContact O-N 3.24Å
353V97.5Very high97.1Very high4 Ų428.2 Ų28.22%0.02413%0.127CC..PPolyproline II helixtrans-82.5160.4170.9-58.60000111.9M13 E114 M328 I355 V358M13-V353 HydrophobicContact CE-CG1 4.31Å; E114-V353 HydrophobicContact CB-CG1 4Å; E114-V353 HydrophobicContact CG-CG1 3.83Å; M328-V353 VanDerWaalsContact CE-O 3.23Å; M328-V353 WeakPolarHBondContact CE-O 3.41Å; V353-I355 HydrophobicContact CG2-CD1 4.36Å; V353-V358 HydrophobicContact CB-CG2 3.76Å; V353-V358 HydrophobicContact CG1-CG2 4.31Å; V353-V358 HydrophobicContact CG2-CG2 3.95Å
354N98.4Very high97Very high0 Ų022.2 Ų22.20%010%0.101CC..PPolyproline II helixtrans-82.3122.4165.7-179.3-73.4000109P146 M327 L356 V357 V358P146-N354 HydrophobicContact CG-CB 3.88Å; P146-N354 WeakPolarHBondContact CG-ND2 3.4Å; M327-N354 PolarHBondContact O-ND2 3.25Å; N354-L356 PolarHBondContact O-N 3.14Å; N354-L356 PolarHBondContact OD1-N 2.86Å; N354-L356 VanDerWaalsContact OD1-N 3.1Å; N354-V357 HydrophobicContact CB-CB 4.42Å; N354-V357 HydrophobicContact CB-CG2 4.17Å; N354-V357 PolarHBondContact OD1-N 3.16Å; N354-V358 WeakPolarHBondContact O-CG2 3.43Å; N354-V358 PolarHBondContact O-N 3.18Å
355I98.6Very high96.7Very high2 Ų219.1 Ų19.11%0.019%0.087CC..Hα-helixtrans-63.1-42.9-171.4-55.5-50.5000111.8G12 I15 A16 E19 M328 C329 F330 V353 V358 S359G12-I355 WeakPolarHBondContact O-CD1 3.39Å; I15-I355 HydrophobicContact CB-CD1 4.01Å; I15-I355 HydrophobicContact CB-CG2 4.39Å; I15-I355 HydrophobicContact CG2-CD1 4.17Å; I15-I355 HydrophobicContact CG2-CG1 4.18Å; I15-I355 HydrophobicContact CG2-CG2 3.62Å; A16-I355 HydrophobicContact CB-CG2 4.34Å; E19-I355 HydrophobicContact CB-CG2 4.22Å; E19-I355 HydrophobicContact CG-CG2 3.89Å; M328-I355 WeakPolarHBondContact O-CG1 3.39Å; M328-I355 PolarHBondContact O-N 2.95Å; C329-I355 HydrophobicContact CB-CB 4.13Å; C329-I355 WeakPolarHBondContact O-CB 3.39Å; F330-I355 HydrophobicContact CD1-CD1 4.38Å; F330-I355 HydrophobicContact CD1-CG1 4.37Å; F330-I355 HydrophobicContact CD2-CD1 4.32Å; F330-I355 HydrophobicContact CD2-CG1 3.94Å; F330-I355 HydrophobicContact CE1-CD1 4.15Å; F330-I355 HydrophobicContact CE2-CD1 4.05Å; F330-I355 HydrophobicContact CE2-CG1 4.16Å; F330-I355 HydrophobicContact CG-CD1 4.48Å; F330-I355 HydrophobicContact CG-CG1 4.07Å; F330-I355 HydrophobicContact CZ-CD1 3.98Å; F330-I355 HydrophobicContact CZ-CG1 4.48Å; V353-I355 HydrophobicContact CG2-CD1 4.36Å; I355-V358 PolarHBondContact O-N 3.02Å; I355-S359 VanDerWaalsContact O-CB 3.32Å; I355-S359 WeakPolarHBondContact O-CB 3.45Å; I355-S359 PolarHBondContact O-N 3.23Å; I355-S359 PolarHBondContact O-OG 2.89Å
356L98.5Very high96.4Very high27 Ų2717 Ų1714%0.1418%0.079CC..Hα-helixtrans-64.5-49.3-176.317963000111.1F149 I151 C197 C329 N354 V358 S359 H360F149-L356 HydrophobicContact CB-CD2 3.74Å; F149-L356 HydrophobicContact CB-CG 4.35Å; I151-L356 HydrophobicContact CD1-CD2 3.86Å; I151-L356 HydrophobicContact CG1-CD2 3.68Å; C197-L356 HydrophobicContact CB-CD2 3.99Å; C329-L356 HydrophobicContact CB-CB 3.89Å; N354-L356 PolarHBondContact O-N 3.14Å; N354-L356 PolarHBondContact OD1-N 2.86Å; N354-L356 VanDerWaalsContact OD1-N 3.1Å; L356-V358 VanDerWaalsContact C-N 3.32Å; L356-V358 PolarHBondContact O-N 3.31Å; L356-S359 PolarHBondContact O-N 2.98Å; L356-H360 PolarHBondContact O-CD2 2.95Å; L356-H360 VanDerWaalsContact O-CD2 3.3Å; L356-H360 PolarHBondContact O-N 3.33Å; L356-H360 VanDerWaalsContact O-N 3.1Å
357V98.3Very high96Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-59.1-45.6179.5-1780000110.8L144 P146 F149 Y159 N354 H360 L361L144-V357 HydrophobicContact CB-CG1 3.99Å; L144-V357 HydrophobicContact CD1-CG1 4.24Å; P146-V357 HydrophobicContact CB-CG2 4.38Å; P146-V357 HydrophobicContact CG-CG2 4.11Å; F149-V357 HydrophobicContact CD2-CG2 3.69Å; F149-V357 HydrophobicContact CE2-CB 4.28Å; F149-V357 HydrophobicContact CE2-CG1 3.95Å; F149-V357 HydrophobicContact CE2-CG2 3.76Å; F149-V357 HydrophobicContact CG-CG2 4.4Å; F149-V357 HydrophobicContact CZ-CG1 4.24Å; Y159-V357 HydrophobicContact CE1-CG1 4.31Å; Y159-V357 HydrophobicContact CE2-CG1 3.76Å; N354-V357 HydrophobicContact CB-CB 4.42Å; N354-V357 HydrophobicContact CB-CG2 4.17Å; N354-V357 PolarHBondContact OD1-N 3.16Å; V357-H360 WeakPolarHBondContact O-CB 3.23Å; V357-H360 PolarHBondContact O-N 2.64Å; V357-L361 HydrophobicContact CG1-CD1 4.12Å; V357-L361 WeakPolarHBondContact O-CG 3.19Å; V357-L361 PolarHBondContact O-N 2.85Å; V357-L361 VanDerWaalsContact O-N 3.12Å
358V98.3Very high94.8Very high0 Ų016.9 Ų16.90%010%0.097CC..Hα-helixtrans-69.2-36.3179.8177.30000111.9M13 A16 I112 Y159 V353 N354 I355 L356 H360 L361 I362M13-V358 HydrophobicContact CE-CG1 4.35Å; M13-V358 HydrophobicContact SD-CG1 3.45Å; M13-V358 WeakPolarHBondContact SD-CG1 3.29Å; A16-V358 HydrophobicContact CB-CB 3.65Å; A16-V358 HydrophobicContact CB-CG1 3.38Å; I112-V358 HydrophobicContact CD1-CG1 4.1Å; Y159-V358 HydrophobicContact CE1-CG2 3.83Å; V353-V358 HydrophobicContact CB-CG2 3.76Å; V353-V358 HydrophobicContact CG1-CG2 4.31Å; V353-V358 HydrophobicContact CG2-CG2 3.95Å; N354-V358 WeakPolarHBondContact O-CG2 3.43Å; N354-V358 PolarHBondContact O-N 3.18Å; I355-V358 PolarHBondContact O-N 3.02Å; L356-V358 VanDerWaalsContact C-N 3.32Å; L356-V358 PolarHBondContact O-N 3.31Å; V358-H360 VanDerWaalsContact C-N 3.29Å; V358-H360 PolarHBondContact O-N 3.16Å; V358-L361 PolarHBondContact O-N 3.3Å; V358-L361 VanDerWaalsContact O-N 3.16Å; V358-I362 HydrophobicContact CG1-CD1 3.7Å; V358-I362 HydrophobicContact CG1-CG1 4.15Å; V358-I362 VanDerWaalsContact O-CG1 3.3Å; V358-I362 WeakPolarHBondContact O-CG1 3.43Å; V358-I362 PolarHBondContact O-N 2.88Å
359S98.2Very high94.7Very high1 Ų116.8 Ų16.81%0.00710%0.097CC..Hα-helixtrans-60.9-40.9176.6-57.60000111.5A16 E19 S20 I355 L356 Y363A16-S359 WeakPolarHBondContact CA-OG 3.23Å; A16-S359 PolarHBondContact O-OG 2.81Å; E19-S359 WeakPolarHBondContact CB-OG 3.24Å; S20-S359 WeakPolarHBondContact CB-O 3.25Å; I355-S359 VanDerWaalsContact O-CB 3.32Å; I355-S359 WeakPolarHBondContact O-CB 3.45Å; I355-S359 PolarHBondContact O-N 3.23Å; I355-S359 PolarHBondContact O-OG 2.89Å; L356-S359 PolarHBondContact O-N 2.98Å; S359-Y363 WeakPolarHBondContact O-CB 3.48Å; S359-Y363 PolarHBondContact O-N 3.41Å
360H97.2Very high94.5Very high1 Ų117.7 Ų17.71%0.00510%0.102CC..Hα-helixtrans-59.8-51.1171.3-89.1-89.8000112F149 C197 C200 L356 V357 V358 I362 Y363 W364F149-H360 AromaticContact CD1-CD2 3.64Å; F149-H360 AromaticContact CD1-NE2 3.7Å; F149-H360 HydrophobicContact CE1-CB 3.97Å; F149-H360 AromaticContact CE1-CD2 3.59Å; F149-H360 AromaticContact CE1-CG 3.62Å; F149-H360 AromaticContact CE1-ND1 3.97Å; F149-H360 AromaticContact CE1-NE2 3.92Å; C197-H360 PolarHBondContact SG-NE2 3.46Å; C200-H360 PolarHBondContact SG-CE1 3.22Å; L356-H360 PolarHBondContact O-CD2 2.95Å; L356-H360 VanDerWaalsContact O-CD2 3.3Å; L356-H360 PolarHBondContact O-N 3.33Å; L356-H360 VanDerWaalsContact O-N 3.1Å; V357-H360 WeakPolarHBondContact O-CB 3.23Å; V357-H360 PolarHBondContact O-N 2.64Å; V358-H360 VanDerWaalsContact C-N 3.29Å; V358-H360 PolarHBondContact O-N 3.16Å; H360-I362 VanDerWaalsContact C-N 3.34Å; H360-I362 PolarHBondContact O-N 2.91Å; H360-Y363 PolarHBondContact O-N 3.06Å; H360-W364 HydrophobicContact CB-CD2 4.45Å; H360-W364 HydrophobicContact CB-CH2 4.21Å; H360-W364 HydrophobicContact CB-CZ2 3.77Å; H360-W364 AromaticContact ND1-CE2 3.86Å; H360-W364 AromaticContact ND1-CZ2 3.66Å; H360-W364 AromaticContact ND1-NE1 3.73Å; H360-W364 WeakPolarHBondContact O-CB 3.39Å; H360-W364 VanDerWaalsContact O-CD1 3.23Å; H360-W364 VanDerWaalsContact O-CD2 3.32Å; H360-W364 PolarHBondContact O-N 3.48Å
361L96.5Very high94.4Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-59.2-42.8179.7-72.6161.6000112.5I112 F142 L144 Y159 L161 V357 V358 W364 A365I112-L361 HydrophobicContact CD1-CB 4.15Å; F142-L361 HydrophobicContact CD2-CD2 3.67Å; F142-L361 HydrophobicContact CE2-CD2 3.96Å; F142-L361 HydrophobicContact CG-CD2 4.13Å; L144-L361 HydrophobicContact CD1-CD2 4.11Å; L144-L361 HydrophobicContact CD1-CG 4.47Å; Y159-L361 HydrophobicContact CD1-CD1 3.21Å; Y159-L361 HydrophobicContact CD2-CD1 3.89Å; Y159-L361 HydrophobicContact CE1-CD1 3.74Å; Y159-L361 HydrophobicContact CE2-CD1 4.36Å; Y159-L361 HydrophobicContact CG-CD1 3.28Å; L161-L361 HydrophobicContact CD1-CB 4.28Å; L161-L361 HydrophobicContact CD1-CD2 3.79Å; L161-L361 WeakPolarHBondContact CD1-O 3.4Å; L161-L361 HydrophobicContact CD2-CB 3.91Å; L161-L361 HydrophobicContact CD2-CD2 4.34Å; L161-L361 HydrophobicContact CG-CD2 4.15Å; V357-L361 HydrophobicContact CG1-CD1 4.12Å; V357-L361 WeakPolarHBondContact O-CG 3.19Å; V357-L361 PolarHBondContact O-N 2.85Å; V357-L361 VanDerWaalsContact O-N 3.12Å; V358-L361 PolarHBondContact O-N 3.3Å; V358-L361 VanDerWaalsContact O-N 3.16Å; L361-W364 HydrophobicContact CD2-CE3 3.84Å; L361-W364 HydrophobicContact CD2-CZ3 3.79Å; L361-W364 HydrophobicContact CG-CE3 4.35Å; L361-W364 HydrophobicContact CG-CZ3 4.28Å; L361-W364 PolarHBondContact O-N 3.3Å; L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.41Å
362I95.9Very high94.4Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-62.2-46.6175.6-69.7167.3000110.4A16 F17 S20 V22 I112 V358 H360 A365 F366A16-I362 HydrophobicContact CB-CD1 3.86Å; F17-I362 HydrophobicContact CB-CD1 4.31Å; F17-I362 HydrophobicContact CD1-CD1 3.75Å; F17-I362 HydrophobicContact CD1-CG1 4.22Å; F17-I362 HydrophobicContact CD1-CG2 3.56Å; F17-I362 HydrophobicContact CD2-CD1 3.85Å; F17-I362 HydrophobicContact CE1-CD1 3.91Å; F17-I362 HydrophobicContact CE1-CG1 4.01Å; F17-I362 HydrophobicContact CE1-CG2 3.69Å; F17-I362 HydrophobicContact CE2-CD1 4Å; F17-I362 HydrophobicContact CG-CD1 3.7Å; F17-I362 HydrophobicContact CG-CG2 4.47Å; F17-I362 HydrophobicContact CZ-CD1 4.03Å; F17-I362 HydrophobicContact CZ-CG1 4.23Å; S20-I362 VanDerWaalsContact OG-CG2 3.27Å; S20-I362 WeakPolarHBondContact OG-CG2 3.38Å; V22-I362 HydrophobicContact CB-CG2 4.43Å; V22-I362 HydrophobicContact CG2-CG2 4.17Å; I112-I362 HydrophobicContact CD1-CD1 4.42Å; I112-I362 HydrophobicContact CD1-CG1 3.57Å; V358-I362 HydrophobicContact CG1-CD1 3.7Å; V358-I362 HydrophobicContact CG1-CG1 4.15Å; V358-I362 VanDerWaalsContact O-CG1 3.3Å; V358-I362 WeakPolarHBondContact O-CG1 3.43Å; V358-I362 PolarHBondContact O-N 2.88Å; H360-I362 VanDerWaalsContact C-N 3.34Å; H360-I362 PolarHBondContact O-N 2.91Å; I362-A365 PolarHBondContact O-N 2.86Å; I362-F366 HydrophobicContact CG2-CD2 4.26Å; I362-F366 WeakPolarHBondContact O-CD2 3.33Å; I362-F366 PolarHBondContact O-N 3.11Å
363Y95.2Very high94.2Very high36 Ų3614.6 Ų14.614%0.1418%0.084CC..Hα-helixtrans-66.1-38.6179.5-174.4-105.5000112.2S20 V22 P190 M191 L192 P193 S359 H360 G367S20-Y363 WeakPolarHBondContact O-CD2 3.39Å; V22-Y363 HydrophobicContact CG2-CD2 4.04Å; P190-Y363 HydrophobicContact CB-CD1 4.49Å; P190-Y363 HydrophobicContact CB-CE1 3.8Å; P190-Y363 HydrophobicContact CG-CD1 4.1Å; P190-Y363 HydrophobicContact CG-CE1 3.83Å; M191-Y363 WeakPolarHBondContact O-CE1 3.42Å; L192-Y363 HydrophobicContact CD1-CD1 4.38Å; L192-Y363 HydrophobicContact CD1-CD2 4.19Å; L192-Y363 HydrophobicContact CD1-CG 3.85Å; P193-Y363 VanDerWaalsContact CD-CE2 3.5Å; P193-Y363 VanDerWaalsContact CD-CZ 3.45Å; P193-Y363 HydrophobicContact CG-CE2 3.79Å; S359-Y363 WeakPolarHBondContact O-CB 3.48Å; S359-Y363 PolarHBondContact O-N 3.41Å; H360-Y363 PolarHBondContact O-N 3.06Å; Y363-G367 WeakPolarHBondContact O-CA 3.47Å; Y363-G367 PolarHBondContact O-N 3Å
364W93.1Very high94Very high3 Ų315.3 Ų15.31%0.0119%0.088CC..Hα-helixtrans-63-47.1173.7-57.9-19.4000111.1L144 F149 S171 F173 P185 A189 P190 H360 L361L144-W364 HydrophobicContact CD1-CH2 4.25Å; L144-W364 HydrophobicContact CD1-CZ3 4Å; F149-W364 HydrophobicContact CE1-CH2 4.33Å; F149-W364 HydrophobicContact CE1-CZ2 4.38Å; F149-W364 HydrophobicContact CZ-CH2 4.1Å; S171-W364 PolarHBondContact OG-O 2.83Å; F173-W364 HydrophobicContact CB-CB 4.4Å; F173-W364 WeakPolarHBondContact CB-O 3.45Å; F173-W364 HydrophobicContact CD1-CB 3.9Å; F173-W364 HydrophobicContact CD2-CB 4.3Å; F173-W364 HydrophobicContact CE1-CB 4.22Å; F173-W364 HydrophobicContact CG-CB 3.93Å; P185-W364 HydrophobicContact CB-CH2 3.87Å; P185-W364 HydrophobicContact CB-CZ2 4.23Å; A189-W364 HydrophobicContact CB-CD2 3.97Å; A189-W364 HydrophobicContact CB-CG 4.01Å; A189-W364 HydrophobicContact CB-CZ2 4.23Å; P190-W364 PolarHBondContact O-NE1 2.81Å; H360-W364 HydrophobicContact CB-CD2 4.45Å; H360-W364 HydrophobicContact CB-CH2 4.21Å; H360-W364 HydrophobicContact CB-CZ2 3.77Å; H360-W364 AromaticContact ND1-CE2 3.86Å; H360-W364 AromaticContact ND1-CZ2 3.66Å; H360-W364 AromaticContact ND1-NE1 3.73Å; H360-W364 WeakPolarHBondContact O-CB 3.39Å; H360-W364 VanDerWaalsContact O-CD1 3.23Å; H360-W364 VanDerWaalsContact O-CD2 3.32Å; H360-W364 PolarHBondContact O-N 3.48Å; L361-W364 HydrophobicContact CD2-CE3 3.84Å; L361-W364 HydrophobicContact CD2-CZ3 3.79Å; L361-W364 HydrophobicContact CG-CE3 4.35Å; L361-W364 HydrophobicContact CG-CZ3 4.28Å; L361-W364 PolarHBondContact O-N 3.3Å
365A91.4Very high93.7Very high1 Ų116.4 Ų16.41%0.0089%0.094CC..Hα-helixtrans-67.4-42.3-178.900000113.2L161 R163 M175 L361 I362L161-A365 HydrophobicContact CB-CB 4.27Å; L161-A365 HydrophobicContact CD1-CB 4.06Å; L161-A365 HydrophobicContact CD2-CB 4.03Å; L161-A365 HydrophobicContact CG-CB 4.33Å; R163-A365 WeakPolarHBondContact CD-O 3.5Å; M175-A365 HydrophobicContact CE-CB 4.31Å; L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.41Å; I362-A365 PolarHBondContact O-N 2.86Å
366F90.8Very high93.3Very high3 Ų317.5 Ų17.51%0.01310%0.101CC..Hα-helixtrans-133.81.4-161.4-47.2-64.2000115M1 V22 V69 R163 W169 I362M1-F366 HydrophobicContact CE-CB 3.38Å; M1-F366 HydrophobicContact CE-CD2 4.23Å; M1-F366 HydrophobicContact CE-CG 3.85Å; V22-F366 HydrophobicContact CG1-CB 4.38Å; V69-F366 HydrophobicContact CG1-CE2 4.11Å; V69-F366 HydrophobicContact CG1-CZ 4.07Å; V69-F366 HydrophobicContact CG2-CE1 4.45Å; R163-F366 HydrophobicContact CG-CE1 4.05Å; W169-F366 HydrophobicContact CZ3-CD1 4.5Å; W169-F366 HydrophobicContact CZ3-CE1 4.44Å; I362-F366 HydrophobicContact CG2-CD2 4.26Å; I362-F366 WeakPolarHBondContact O-CD2 3.33Å; I362-F366 PolarHBondContact O-N 3.11Å
367G88.2Confident92.9Very high7 Ų716.7 Ų16.77%0.07210%0.097CC..  trans-66.2148.1167.100000110.9Y363Y363-G367 WeakPolarHBondContact O-CA 3.47Å; Y363-G367 PolarHBondContact O-N 3Å
368T71.8Confident92.4Very high148 Ų14818.2 Ų18.291%0.90811%0.106SC*.  trans-101.90178.653.20000111.3

Retrieved 368 of 368 residues in 81.2 ms (Link to these results)

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