G4VQX4_SCHMA Loading...

Chitobiosyldiphosphodolichol alpha-mannosyltransferase

AlphaFold DB , UniProt , Accession G4VQX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 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
1M40.8Very low81.4Confident238 Ų23853.6 Ų53.6100%1.17230%0.302SS*.  0115.20-79.9-172.6-96.900107.9A3M1-A3 PolarHBondContact O-N 2.67Å
2V52.9Low82.5Confident97 Ų9750.2 Ų50.259%0.58828%0.282SS*.  trans-79.274.7-177.3-166.60000109.3D4 R5V2-D4 PolarHBondContact O-N 3.39Å; V2-R5 HydrophobicContact CB-CG 4.42Å; V2-R5 HydrophobicContact CG1-CB 4.1Å; V2-R5 HydrophobicContact CG1-CG 3.5Å; V2-R5 VanDerWaalsContact CG1-CG 3.5Å
3A54Low83.2Confident89 Ų8947.6 Ų47.674%0.73627%0.273SS*.THydrogen-bonded Turntrans-62.7-2.7-178.800000113.9M1M1-A3 PolarHBondContact O-N 2.67Å
4D78.3Confident83.7Confident73 Ų7345.9 Ų45.939%0.3926%0.263SS..THydrogen-bonded Turntrans-108.6-6.3-171.2-73.5-24.6000115.5V2 T6 R96V2-D4 PolarHBondContact O-N 3.39Å; D4-T6 VanDerWaalsContact C-N 3.35Å; D4-T6 PolarHBondContact O-N 3.24Å; D4-R96 IonicContact OD1-CZ 3.42Å; D4-R96 IonicContact OD1-NH1 2.9Å; D4-R96 PolarHBondContact OD1-NH1 3.31Å; D4-R96 IonicContact OD2-CZ 3.76Å; D4-R96 IonicContact OD2-NH1 3.03Å; D4-R96 PolarHBondContact OD2-NH1 3.2Å
5R91.2Very high84.1Confident59 Ų5942.9 Ų42.922%0.22325%0.246CC..  trans-85.273.3-178.7-80.3178.3-171.1-149.6-0.8111.9V2 D31 W33 D34 E458 I461V2-R5 HydrophobicContact CB-CG 4.42Å; V2-R5 HydrophobicContact CG1-CB 4.1Å; V2-R5 HydrophobicContact CG1-CG 3.5Å; V2-R5 VanDerWaalsContact CG1-CG 3.5Å; R5-D31 IonicContact NH1-OD2 2.65Å; R5-D31 PolarHBondContact NH1-OD2 2.96Å; R5-W33 VanDerWaalsContact C-CE3 3.46Å; R5-W33 HydrophobicContact CB-CB 4.43Å; R5-W33 HydrophobicContact CB-CD2 3.65Å; R5-W33 HydrophobicContact CB-CE3 3.94Å; R5-W33 HydrophobicContact CB-CG 3.87Å; R5-W33 HydrophobicContact CB-CZ3 4.5Å; R5-W33 HydrophobicContact CG-CD2 3.92Å; R5-W33 HydrophobicContact CG-CE3 4.35Å; R5-W33 HydrophobicContact CG-CG 4.37Å; R5-W33 HydrophobicContact CG-CH2 4.37Å; R5-W33 HydrophobicContact CG-CZ2 3.92Å; R5-W33 WeakPolarHBondContact O-CA 3.44Å; R5-D34 PolarHBondContact O-N 2.89Å; R5-E458 IonicContact CZ-OE1 3.7Å; R5-E458 VanDerWaalsContact CZ-OE1 3.26Å; R5-E458 IonicContact NH1-OE1 3.04Å; R5-E458 PolarHBondContact NH1-OE1 3.26Å; R5-E458 IonicContact NH2-OE1 2.69Å; R5-E458 PolarHBondContact NH2-OE1 3.34Å; R5-I461 HydrophobicContact CG-CD1 4.37Å
6T95.1Very high84.1Confident30 Ų3044.4 Ų44.418%0.18426%0.26CS..EExtended strand (participates in β ladder)trans-118.7130.4174.855.50000110.4D4 D34 S95 R96 L97D4-T6 VanDerWaalsContact C-N 3.35Å; D4-T6 PolarHBondContact O-N 3.24Å; T6-D34 WeakPolarHBondContact CA-O 3.29Å; T6-D34 HydrophobicContact CG2-CB 4.21Å; T6-S95 WeakPolarHBondContact OG1-CA 3.3Å; T6-R96 PolarHBondContact O-N 3.14Å; T6-R96 PolarHBondContact OG1-N 3Å; T6-L97 PolarHBondContact O-N 3.34Å
7A96.7Very high84.1Confident0 Ų050.5 Ų50.50%028%0.277CS..EExtended strand (participates in β ladder)trans-126.7141.3179.100000112.2L28 W33 D34 V35 T36 S95 L97A7-L28 HydrophobicContact CB-CD1 3.84Å; A7-L28 HydrophobicContact CB-CD2 4.48Å; A7-W33 HydrophobicContact CB-CE3 3.86Å; A7-W33 HydrophobicContact CB-CZ3 4.29Å; A7-D34 PolarHBondContact N-O 3.38Å; A7-V35 WeakPolarHBondContact O-CA 3.08Å; A7-T36 PolarHBondContact O-N 3.13Å; A7-S95 PolarHBondContact O-OG 3.02Å; A7-S95 VanDerWaalsContact O-OG 3.08Å; A7-L97 CarbonylContact C-O 3.55Å; A7-L97 WeakPolarHBondContact CA-O 3.47Å
8H97.5Very high84.4Confident0 Ų048.3 Ų48.30%027%0.266CS..EExtended strand (participates in β ladder)trans-116.6104.2169.1-161.8139.5000108.3I10 T36 S38 H88 C93 S95 L97 I98 V99H8-I10 VanDerWaalsContact CD2-CG1 3.44Å; H8-I10 WeakPolarHBondContact CD2-CG1 3.14Å; H8-T36 CarbonylContact C-O 3.59Å; H8-T36 WeakPolarHBondContact CA-O 3.46Å; H8-S38 PolarHBondContact NE2-OG 2.9Å; H8-H88 AromaticContact NE2-NE2 3.87Å; H8-C93 WeakPolarHBondContact ND1-CA 3.32Å; H8-S95 PolarHBondContact N-OG 3.09Å; H8-L97 PolarHBondContact N-O 2.97Å; H8-I98 CarbonylContact O-C 3.23Å; H8-I98 WeakPolarHBondContact O-CA 3.1Å; H8-V99 PolarHBondContact O-N 2.66Å
9V97.3Very high84.6Confident0 Ų048.3 Ų48.30%027%0.269CS..EExtended strand (participates in β ladder)trans-90.8127.3-178.5-175.30000109.1I21 A25 L28 V35 T36 I37 S38 V99V9-I21 HydrophobicContact CG1-CD1 3.37Å; V9-I21 HydrophobicContact CG1-CG1 3.4Å; V9-A25 HydrophobicContact CB-CB 4.17Å; V9-A25 HydrophobicContact CG1-CB 4.21Å; V9-A25 HydrophobicContact CG2-CB 4.01Å; V9-L28 HydrophobicContact CG2-CD1 3.84Å; V9-V35 HydrophobicContact CG2-CG1 3.93Å; V9-T36 PolarHBondContact N-O 3.48Å; V9-I37 HydrophobicContact CB-CB 4.49Å; V9-I37 HydrophobicContact CB-CG1 4.32Å; V9-I37 HydrophobicContact CG1-CG1 4.42Å; V9-I37 CarbonylContact O-C 3.51Å; V9-I37 VanDerWaalsContact O-CA 3.29Å; V9-I37 WeakPolarHBondContact O-CA 3.42Å; V9-S38 PolarHBondContact O-N 3.26Å; V9-V99 CarbonylContact C-O 3.6Å; V9-V99 WeakPolarHBondContact CA-O 3.42Å; V9-V99 HydrophobicContact CG1-CB 4.49Å; V9-V99 HydrophobicContact CG2-CB 4.26Å
10I96.9Very high84.9Confident0 Ų046.2 Ų46.20%026%0.256CS..EExtended strand (participates in β ladder)trans-130.3134.8-171.1-57.7179.1000110.4H8 S38 I57 L85 L89 I98 V99 V100 Q101H8-I10 VanDerWaalsContact CD2-CG1 3.44Å; H8-I10 WeakPolarHBondContact CD2-CG1 3.14Å; I10-S38 WeakPolarHBondContact CA-O 3.42Å; I10-I57 HydrophobicContact CG2-CD1 3.99Å; I10-L85 HydrophobicContact CG2-CD1 4.29Å; I10-L89 HydrophobicContact CD1-CD2 3.4Å; I10-L89 HydrophobicContact CD1-CG 4.47Å; I10-I98 HydrophobicContact CD1-CG2 3.92Å; I10-I98 HydrophobicContact CG1-CG2 4.47Å; I10-V99 PolarHBondContact N-O 3.41Å; I10-V100 WeakPolarHBondContact O-CA 3.15Å; I10-Q101 PolarHBondContact O-N 2.85Å
11V95.1Very high85.3Confident4 Ų444 Ų442%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-135131.8165.661.70000109.5G13 L15 I21 S38 G39 Q101V11-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact O-N 3.07Å; V11-L15 HydrophobicContact CG1-CD2 3.47Å; V11-L15 VanDerWaalsContact CG1-CD2 3.47Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-I21 HydrophobicContact CB-CG1 4.4Å; V11-I21 HydrophobicContact CB-CG2 3.89Å; V11-I21 HydrophobicContact CG1-CG2 3.82Å; V11-I21 HydrophobicContact CG2-CG2 4.3Å; V11-S38 PolarHBondContact N-O 2.96Å; V11-G39 WeakPolarHBondContact O-CA 3.41Å; V11-Q101 HydrophobicContact CG2-CB 4.24Å
12L93.8Very high87.7Confident12 Ų1234.1 Ų34.16%0.06320%0.196CC..EExtended strand (participates in β ladder)trans-85.557.9170.2-68.8-168000110.4Y40 I57 T81 L85 P104 T108L12-Y40 HydrophobicContact CD2-CE1 4.48Å; L12-Y40 VanDerWaalsContact O-CE2 3.25Å; L12-Y40 WeakPolarHBondContact O-CE2 3.49Å; L12-I57 HydrophobicContact CD2-CD1 3.9Å; L12-I57 HydrophobicContact CD2-CG2 4.3Å; L12-T81 HydrophobicContact CD1-CG2 3.6Å; L12-L85 HydrophobicContact CD1-CD2 4.27Å; L12-L85 HydrophobicContact CD2-CD1 4.27Å; L12-P104 HydrophobicContact CB-CG 3.79Å; L12-P104 HydrophobicContact CD1-CG 4.47Å; L12-T108 HydrophobicContact CD1-CG2 4.42Å; L12-T108 WeakPolarHBondContact CD1-OG1 3.5Å
13G91.6Very high89.5Confident17 Ų1731 Ų3118%0.17518%0.179CC..EExtended strand (participates in β ladder)trans-155.3169.8-174.900000111.3V11 L15 Y40V11-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact O-N 3.07Å; G13-L15 PolarHBondContact O-N 3.46Å; G13-Y40 VanDerWaalsContact C-CD2 3.47Å; G13-Y40 VanDerWaalsContact CA-CD2 3.49Å; G13-Y40 WeakPolarHBondContact O-CB 3.15Å; G13-Y40 PolarHBondContact O-N 3.29Å
14D90.8Very high91.4Very high23 Ų2326.8 Ų26.812%0.12314%0.144CC..EExtended strand (participates in β ladder)trans-65119.1173.3-171.6-29.6000109S16 R17 S18 K41D14-S16 PolarHBondContact O-N 3.39Å; D14-S16 WeakPolarHBondContact OD1-CB 3.36Å; D14-S16 PolarHBondContact OD1-N 3.04Å; D14-S16 VanDerWaalsContact OD1-N 3.08Å; D14-S16 PolarHBondContact OD1-OG 3.05Å; D14-R17 HydrophobicContact CB-CB 4.18Å; D14-R17 HydrophobicContact CB-CG 4.16Å; D14-R17 CarbonylContact O-C 3.52Å; D14-R17 PolarHBondContact O-N 2.93Å; D14-R17 IonicContact OD2-NE 3.69Å; D14-S18 PolarHBondContact O-N 3.11Å; D14-S18 PolarHBondContact O-OG 3.04Å; D14-K41 WeakPolarHBondContact OD2-CD 3.48Å; D14-K41 WeakPolarHBondContact OD2-CE 3.22Å; D14-K41 IonicContact OD2-NZ 3.79Å; D14-K41 PolarHBondContact OD2-NZ 2.99Å
15L90.1Very high92.2Very high1 Ų123.3 Ų23.31%0.00513%0.125CC..G310 helixtrans-60-35.3-176.8-75.2172.5000111.9V11 G13 R17 S18 I37 Y40 A42 I45 V54V11-L15 HydrophobicContact CG1-CD2 3.47Å; V11-L15 VanDerWaalsContact CG1-CD2 3.47Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; G13-L15 PolarHBondContact O-N 3.46Å; L15-R17 PolarHBondContact O-N 3.1Å; L15-S18 PolarHBondContact O-N 3.16Å; L15-I37 HydrophobicContact CD2-CD1 3.78Å; L15-I37 HydrophobicContact CD2-CG1 3.89Å; L15-Y40 PolarHBondContact N-O 2.81Å; L15-Y40 VanDerWaalsContact N-O 3.07Å; L15-A42 HydrophobicContact CD1-CB 4.22Å; L15-I45 HydrophobicContact CB-CD1 3.95Å; L15-I45 HydrophobicContact CB-CG1 3.78Å; L15-I45 HydrophobicContact CD1-CG1 4.23Å; L15-V54 HydrophobicContact CD1-CG1 3.96Å
16S84.2Confident92.3Very high68 Ų6823.2 Ų23.248%0.47613%0.127SC..G310 helixtrans-67.5-17.3177.770.10000113.6D14D14-S16 PolarHBondContact O-N 3.39Å; D14-S16 WeakPolarHBondContact OD1-CB 3.36Å; D14-S16 PolarHBondContact OD1-N 3.04Å; D14-S16 VanDerWaalsContact OD1-N 3.08Å; D14-S16 PolarHBondContact OD1-OG 3.05Å
17R83.5Confident92.2Very high147 Ų14722.9 Ų22.956%0.55512%0.124SC*.G310 helixtrans-110.512.9-179.9-57.5-175177.9-153.9-3.9112.9D14 L15 P19D14-R17 HydrophobicContact CB-CB 4.18Å; D14-R17 HydrophobicContact CB-CG 4.16Å; D14-R17 CarbonylContact O-C 3.52Å; D14-R17 PolarHBondContact O-N 2.93Å; D14-R17 IonicContact OD2-NE 3.69Å; L15-R17 PolarHBondContact O-N 3.1Å; R17-P19 VanDerWaalsContact O-CD 3.32Å; R17-P19 WeakPolarHBondContact O-CD 3.35Å
18S88.8Confident92.1Very high11 Ų1122.9 Ų22.98%0.07712%0.124CC..  trans-121.564.1-178.5-50.50000109.5D14 L15 R20 I21 L22D14-S18 PolarHBondContact O-N 3.11Å; D14-S18 PolarHBondContact O-OG 3.04Å; L15-S18 PolarHBondContact O-N 3.16Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.44Å; S18-I21 VanDerWaalsContact CB-CG2 3.46Å; S18-I21 WeakPolarHBondContact O-CG2 3.47Å; S18-I21 PolarHBondContact O-N 3.04Å; S18-L22 WeakPolarHBondContact O-CB 3.48Å; S18-L22 PolarHBondContact O-N 3.15Å; S18-L22 VanDerWaalsContact O-N 3.14Å
19P88.2Confident92Very high49 Ų4923.9 Ų23.932%0.31813%0.131SC..Hα-helixtrans-59.8-40.7-170.622.8-33.6000112.2R17 L22 S23 M356R17-P19 VanDerWaalsContact O-CD 3.32Å; R17-P19 WeakPolarHBondContact O-CD 3.35Å; P19-L22 WeakPolarHBondContact O-CB 3.39Å; P19-L22 PolarHBondContact O-N 3.22Å; P19-S23 WeakPolarHBondContact O-CB 3.34Å; P19-S23 PolarHBondContact O-N 3.25Å; P19-S23 PolarHBondContact O-OG 3.07Å; P19-M356 HydrophobicContact CB-CE 4.29Å; P19-M356 HydrophobicContact CG-CE 3.9Å; P19-M356 HydrophobicContact CG-SD 4.19Å
20R91.6Very high91.7Very high5 Ų531.6 Ų31.62%0.01916%0.161CC..Hα-helixtrans-66.8-45.7-176.7-173.4-170164.5110.4-22.8113.9S18 L22 S23 Q24 D126 H128 Y191 D193 M356S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.44Å; R20-L22 VanDerWaalsContact C-N 3.27Å; R20-L22 PolarHBondContact O-N 3.28Å; R20-S23 PolarHBondContact O-N 2.94Å; R20-Q24 WeakPolarHBondContact O-CG 3.43Å; R20-Q24 PolarHBondContact O-N 3.23Å; R20-D126 IonicContact CZ-OD1 3.26Å; R20-D126 IonicContact CZ-OD2 2.79Å; R20-D126 IonicContact NE-OD1 3.2Å; R20-D126 PolarHBondContact NE-OD1 3.4Å; R20-D126 IonicContact NE-OD2 2.62Å; R20-D126 PolarHBondContact NE-OD2 2.7Å; R20-D126 IonicContact NH2-OD1 3.88Å; R20-D126 PolarHBondContact NH2-OD1 3.02Å; R20-D126 IonicContact NH2-OD2 2.97Å; R20-H128 WeakPolarHBondContact CD-CE1 3.46Å; R20-H128 WeakPolarHBondContact CD-NE2 3.39Å; R20-H128 VanDerWaalsContact CZ-CE1 3.43Å; R20-H128 PolarHBondContact NE-CE1 3.49Å; R20-H128 PolarHBondContact NE-NE2 3.48Å; R20-H128 VanDerWaalsContact NE-NE2 3.11Å; R20-Y191 PolarHBondContact NH1-O 3.11Å; R20-Y191 PolarHBondContact NH2-O 3.03Å; R20-D193 VanDerWaalsContact CD-OD1 3.29Å; R20-D193 WeakPolarHBondContact CD-OD1 3.47Å; R20-D193 IonicContact CZ-OD1 3.49Å; R20-D193 IonicContact NE-OD1 3.56Å; R20-D193 IonicContact NH1-OD1 3.58Å; R20-D193 PolarHBondContact NH1-OD1 2.61Å; R20-D193 IonicContact NH1-OD2 2.82Å; R20-D193 PolarHBondContact NH1-OD2 3.08Å; R20-M356 HydrophobicContact CB-CE 4.24Å; R20-M356 HydrophobicContact CB-SD 4.26Å
21I92.3Very high91.5Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-68.9-32.7178.9-163.761.3000111V9 V11 S18 Q24 A25 V99 Q101V9-I21 HydrophobicContact CG1-CD1 3.37Å; V9-I21 HydrophobicContact CG1-CG1 3.4Å; V11-I21 HydrophobicContact CB-CG1 4.4Å; V11-I21 HydrophobicContact CB-CG2 3.89Å; V11-I21 HydrophobicContact CG1-CG2 3.82Å; V11-I21 HydrophobicContact CG2-CG2 4.3Å; S18-I21 VanDerWaalsContact CB-CG2 3.46Å; S18-I21 WeakPolarHBondContact O-CG2 3.47Å; S18-I21 PolarHBondContact O-N 3.04Å; I21-Q24 PolarHBondContact O-N 3.32Å; I21-A25 PolarHBondContact O-N 2.77Å; I21-V99 HydrophobicContact CD1-CG1 4.24Å; I21-Q101 HydrophobicContact CB-CB 4.22Å; I21-Q101 VanDerWaalsContact CB-OE1 3.24Å; I21-Q101 HydrophobicContact CD1-CB 4.12Å; I21-Q101 HydrophobicContact CG1-CB 4.17Å; I21-Q101 VanDerWaalsContact CG2-OE1 3.31Å
22L91.7Very high91.4Very high31 Ų3135.8 Ų35.816%0.16220%0.197CC..Hα-helixtrans-61.4-52.4170-174.764.4000109.9S18 P19 R20 Q24 A25 Q26 I37 I45S18-L22 WeakPolarHBondContact O-CB 3.48Å; S18-L22 PolarHBondContact O-N 3.15Å; S18-L22 VanDerWaalsContact O-N 3.14Å; P19-L22 WeakPolarHBondContact O-CB 3.39Å; P19-L22 PolarHBondContact O-N 3.22Å; R20-L22 VanDerWaalsContact C-N 3.27Å; R20-L22 PolarHBondContact O-N 3.28Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.3Å; L22-A25 WeakPolarHBondContact O-CB 3.37Å; L22-A25 PolarHBondContact O-N 3.02Å; L22-A25 VanDerWaalsContact O-N 3.09Å; L22-Q26 WeakPolarHBondContact O-CG 3.46Å; L22-Q26 PolarHBondContact O-N 3.09Å; L22-I37 HydrophobicContact CD1-CD1 3.86Å; L22-I45 HydrophobicContact CD2-CD1 4.35Å
23S91.5Very high91.4Very high33 Ų3335.6 Ų35.623%0.23120%0.196CC..Hα-helixtrans-55.1-41.3176.6-61.70000112.6P19 R20 Q26 F27P19-S23 WeakPolarHBondContact O-CB 3.34Å; P19-S23 PolarHBondContact O-N 3.25Å; P19-S23 PolarHBondContact O-OG 3.07Å; R20-S23 PolarHBondContact O-N 2.94Å; S23-Q26 WeakPolarHBondContact O-CB 3.36Å; S23-Q26 PolarHBondContact O-N 3.35Å; S23-F27 WeakPolarHBondContact O-CB 3.46Å; S23-F27 WeakPolarHBondContact O-CD1 2.83Å; S23-F27 VanDerWaalsContact O-CD2 3.3Å; S23-F27 WeakPolarHBondContact O-CD2 3.48Å; S23-F27 WeakPolarHBondContact O-CG 3.19Å; S23-F27 PolarHBondContact O-N 3.28Å
24Q93.9Very high91.5Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-64.4-41.7176.3-75179.253.900113.4R20 I21 L22 Q26 F27 L28 D126 Y191 Y457R20-Q24 WeakPolarHBondContact O-CG 3.43Å; R20-Q24 PolarHBondContact O-N 3.23Å; I21-Q24 PolarHBondContact O-N 3.32Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.3Å; Q24-Q26 VanDerWaalsContact C-N 3.28Å; Q24-Q26 PolarHBondContact O-N 3Å; Q24-F27 PolarHBondContact O-N 3.49Å; Q24-L28 WeakPolarHBondContact O-CB 3.47Å; Q24-L28 WeakPolarHBondContact O-CG 3.48Å; Q24-L28 PolarHBondContact O-N 3.35Å; Q24-D126 PolarHBondContact NE2-OD2 3.29Å; Q24-Y191 HydrophobicContact CG-CE1 4.16Å; Q24-Y457 PolarHBondContact OE1-OH 2.93Å
25A94.7Very high91.7Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-60.5-42.1173.900000111.1V9 I21 L22 L28 A29 V35 I37 L52V9-A25 HydrophobicContact CB-CB 4.17Å; V9-A25 HydrophobicContact CG1-CB 4.21Å; V9-A25 HydrophobicContact CG2-CB 4.01Å; I21-A25 PolarHBondContact O-N 2.77Å; L22-A25 WeakPolarHBondContact O-CB 3.37Å; L22-A25 PolarHBondContact O-N 3.02Å; L22-A25 VanDerWaalsContact O-N 3.09Å; A25-L28 PolarHBondContact O-N 2.74Å; A25-A29 PolarHBondContact O-N 3.33Å; A25-V35 HydrophobicContact CB-CG1 4Å; A25-I37 HydrophobicContact CB-CB 4.24Å; A25-I37 HydrophobicContact CB-CD1 3.83Å; A25-I37 HydrophobicContact CB-CG1 4.36Å; A25-L52 HydrophobicContact CB-CD1 4.26Å; A25-L52 HydrophobicContact CB-CD2 4.4Å; A25-L52 WeakPolarHBondContact O-CD2 3.32Å
26Q92.9Very high92Very high56 Ų5639.2 Ų39.226%0.26221%0.211SC..Hα-helixtrans-65-40.7177-60.4175.3-16.200112.1L22 S23 Q24 A29 R30 I50 L52L22-Q26 WeakPolarHBondContact O-CG 3.46Å; L22-Q26 PolarHBondContact O-N 3.09Å; S23-Q26 WeakPolarHBondContact O-CB 3.36Å; S23-Q26 PolarHBondContact O-N 3.35Å; Q24-Q26 VanDerWaalsContact C-N 3.28Å; Q24-Q26 PolarHBondContact O-N 3Å; Q26-A29 PolarHBondContact O-N 2.63Å; Q26-R30 VanDerWaalsContact O-CB 3.29Å; Q26-R30 WeakPolarHBondContact O-CB 3.24Å; Q26-R30 PolarHBondContact O-N 3.3Å; Q26-I50 HydrophobicContact CB-CD1 4Å; Q26-I50 HydrophobicContact CB-CG2 4.48Å; Q26-I50 HydrophobicContact CG-CD1 3.22Å; Q26-I50 HydrophobicContact CG-CG1 4.49Å; Q26-I50 HydrophobicContact CG-CG2 4.34Å; Q26-L52 HydrophobicContact CG-CD1 4.02Å
27F94Very high92.5Very high24 Ų2436 Ų3611%0.10519%0.189CC..Hα-helixtrans-67.5-41.5178-63.2-21.2000112.2S23 Q24 A29 R30 D31 F446 W449S23-F27 WeakPolarHBondContact O-CB 3.46Å; S23-F27 WeakPolarHBondContact O-CD1 2.83Å; S23-F27 VanDerWaalsContact O-CD2 3.3Å; S23-F27 WeakPolarHBondContact O-CD2 3.48Å; S23-F27 WeakPolarHBondContact O-CG 3.19Å; S23-F27 PolarHBondContact O-N 3.28Å; Q24-F27 PolarHBondContact O-N 3.49Å; F27-A29 PolarHBondContact O-N 3.03Å; F27-R30 PolarHBondContact O-N 2.88Å; F27-D31 PolarHBondContact O-N 3.23Å; F27-F446 HydrophobicContact CB-CD2 3.84Å; F27-F446 HydrophobicContact CB-CE2 4.26Å; F27-F446 HydrophobicContact CD1-CB 3.94Å; F27-F446 AromaticContact CD1-CD2 3.67Å; F27-F446 HydrophobicContact CD1-CD2 3.67Å; F27-F446 HydrophobicContact CD1-CG 4.28Å; F27-F446 HydrophobicContact CE1-CB 3.89Å; F27-F446 HydrophobicContact CE1-CD2 4.48Å; F27-F446 AromaticContact CG-CD2 3.89Å; F27-F446 HydrophobicContact CG-CD2 3.89Å; F27-F446 HydrophobicContact CZ-CB 4.49Å; F27-F446 WeakPolarHBondContact O-CE2 3.33Å; F27-W449 HydrophobicContact CB-CD2 3.59Å; F27-W449 HydrophobicContact CB-CE3 3.6Å; F27-W449 HydrophobicContact CB-CG 4.1Å; F27-W449 HydrophobicContact CB-CH2 4.23Å; F27-W449 HydrophobicContact CB-CZ2 4.26Å; F27-W449 HydrophobicContact CB-CZ3 3.92Å; F27-W449 HydrophobicContact CD2-CB 3.65Å; F27-W449 AromaticContact CD2-CD1 3.95Å; F27-W449 HydrophobicContact CD2-CD2 4.04Å; F27-W449 AromaticContact CD2-CG 3.58Å; F27-W449 HydrophobicContact CD2-CG 3.58Å; F27-W449 HydrophobicContact CE2-CB 4.09Å; F27-W449 HydrophobicContact CE2-CG 4.44Å; F27-W449 HydrophobicContact CG-CB 4.44Å; F27-W449 HydrophobicContact CG-CD2 4.22Å; F27-W449 HydrophobicContact CG-CE3 4.38Å; F27-W449 HydrophobicContact CG-CG 4.23Å
28L94.7Very high93.1Very high0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-57-48.9171.4-82.4165.1000111.8A7 V9 Q24 A25 R30 D31 G32 W33 V35 V99 W449 Y457A7-L28 HydrophobicContact CB-CD1 3.84Å; A7-L28 HydrophobicContact CB-CD2 4.48Å; V9-L28 HydrophobicContact CG2-CD1 3.84Å; Q24-L28 WeakPolarHBondContact O-CB 3.47Å; Q24-L28 WeakPolarHBondContact O-CG 3.48Å; Q24-L28 PolarHBondContact O-N 3.35Å; A25-L28 PolarHBondContact O-N 2.74Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-R30 PolarHBondContact O-N 3Å; L28-D31 PolarHBondContact O-N 2.76Å; L28-G32 PolarHBondContact O-N 3.17Å; L28-W33 HydrophobicContact CB-CB 4.27Å; L28-W33 HydrophobicContact CB-CG 4.43Å; L28-W33 HydrophobicContact CD2-CB 4.36Å; L28-W33 HydrophobicContact CD2-CD2 3.58Å; L28-W33 HydrophobicContact CD2-CE3 4.01Å; L28-W33 HydrophobicContact CD2-CG 3.74Å; L28-W33 HydrophobicContact CD2-CZ2 4.32Å; L28-W33 WeakPolarHBondContact O-CB 3.38Å; L28-W33 PolarHBondContact O-N 2.9Å; L28-V35 HydrophobicContact CB-CG2 3.55Å; L28-V99 HydrophobicContact CD1-CG2 4.41Å; L28-W449 HydrophobicContact CD2-CH2 4.04Å; L28-W449 HydrophobicContact CD2-CZ2 3.88Å; L28-W449 HydrophobicContact CG-CH2 4.13Å; L28-W449 HydrophobicContact CG-CZ2 3.78Å; L28-Y457 HydrophobicContact CD1-CD2 4.42Å; L28-Y457 HydrophobicContact CD1-CE2 4.38Å; L28-Y457 HydrophobicContact CD2-CD2 3.95Å; L28-Y457 HydrophobicContact CG-CD2 4.36Å; L28-Y457 HydrophobicContact CG-CE2 4.5Å
29A93.5Very high93.5Very high20 Ų2028.5 Ų28.517%0.16516%0.159CC..Hα-helixtrans-65.2-37.6178.900000112.1A25 Q26 F27 D31 G32 V35 I50 L52A25-A29 PolarHBondContact O-N 3.33Å; Q26-A29 PolarHBondContact O-N 2.63Å; F27-A29 PolarHBondContact O-N 3.03Å; A29-D31 VanDerWaalsContact C-N 3.3Å; A29-D31 PolarHBondContact O-N 3.01Å; A29-G32 PolarHBondContact O-N 2.71Å; A29-V35 HydrophobicContact CB-CB 4.4Å; A29-V35 HydrophobicContact CB-CG2 4.01Å; A29-I50 HydrophobicContact CB-CG2 4.42Å; A29-L52 HydrophobicContact CB-CD2 3.48Å; A29-L52 VanDerWaalsContact CB-CD2 3.48Å; A29-L52 HydrophobicContact CB-CG 4.46Å
30R91.9Very high93.8Very high162 Ų16227.7 Ų27.761%0.61115%0.15SC*.Hα-helixtrans-64.9-31.8174.5-176.5175.7173.9-178.2-1.5112.6Q26 F27 L28 G32 F446Q26-R30 VanDerWaalsContact O-CB 3.29Å; Q26-R30 WeakPolarHBondContact O-CB 3.24Å; Q26-R30 PolarHBondContact O-N 3.3Å; F27-R30 PolarHBondContact O-N 2.88Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-R30 PolarHBondContact O-N 3Å; R30-G32 PolarHBondContact O-N 3.31Å; R30-F446 HydrophobicContact CB-CD2 4.35Å; R30-F446 HydrophobicContact CB-CE2 3.83Å; R30-F446 HydrophobicContact CB-CZ 4.23Å; R30-F446 HydrophobicContact CG-CD2 4.23Å; R30-F446 HydrophobicContact CG-CE1 4.19Å; R30-F446 HydrophobicContact CG-CE2 3.75Å; R30-F446 HydrophobicContact CG-CZ 3.72Å; R30-F446 VanDerWaalsContact CZ-CD1 3.44Å
31D92.8Very high93.7Very high32 Ų3231.1 Ų31.117%0.17117%0.165CC..THydrogen-bonded Turntrans-78.4-4.2173.1-166.870.8000113.2R5 F27 L28 A29 W33 W449 K450R5-D31 IonicContact NH1-OD2 2.65Å; R5-D31 PolarHBondContact NH1-OD2 2.96Å; F27-D31 PolarHBondContact O-N 3.23Å; L28-D31 PolarHBondContact O-N 2.76Å; A29-D31 VanDerWaalsContact C-N 3.3Å; A29-D31 PolarHBondContact O-N 3.01Å; D31-W33 PolarHBondContact OD2-NE1 3.07Å; D31-W449 HydrophobicContact CB-CH2 4.24Å; D31-W449 HydrophobicContact CB-CZ3 4.06Å; D31-K450 IonicContact OD1-NZ 3.47Å
32G92.4Very high93.5Very high60 Ų6031.9 Ų31.962%0.61917%0.171SC*.THydrogen-bonded Turntrans95.816.7175.100000115L28 A29 R30L28-G32 PolarHBondContact O-N 3.17Å; A29-G32 PolarHBondContact O-N 2.71Å; R30-G32 PolarHBondContact O-N 3.31Å
33W93.8Very high93.2Very high9 Ų937.7 Ų37.73%0.03420%0.197CC..  trans-76.3149.7170.5-66.859.7000111R5 A7 L28 D31 V35 L97 L454 E458 I461R5-W33 VanDerWaalsContact C-CE3 3.46Å; R5-W33 HydrophobicContact CB-CB 4.43Å; R5-W33 HydrophobicContact CB-CD2 3.65Å; R5-W33 HydrophobicContact CB-CE3 3.94Å; R5-W33 HydrophobicContact CB-CG 3.87Å; R5-W33 HydrophobicContact CB-CZ3 4.5Å; R5-W33 HydrophobicContact CG-CD2 3.92Å; R5-W33 HydrophobicContact CG-CE3 4.35Å; R5-W33 HydrophobicContact CG-CG 4.37Å; R5-W33 HydrophobicContact CG-CH2 4.37Å; R5-W33 HydrophobicContact CG-CZ2 3.92Å; R5-W33 WeakPolarHBondContact O-CA 3.44Å; A7-W33 HydrophobicContact CB-CE3 3.86Å; A7-W33 HydrophobicContact CB-CZ3 4.29Å; L28-W33 HydrophobicContact CB-CB 4.27Å; L28-W33 HydrophobicContact CB-CG 4.43Å; L28-W33 HydrophobicContact CD2-CB 4.36Å; L28-W33 HydrophobicContact CD2-CD2 3.58Å; L28-W33 HydrophobicContact CD2-CE3 4.01Å; L28-W33 HydrophobicContact CD2-CG 3.74Å; L28-W33 HydrophobicContact CD2-CZ2 4.32Å; L28-W33 WeakPolarHBondContact O-CB 3.38Å; L28-W33 PolarHBondContact O-N 2.9Å; D31-W33 PolarHBondContact OD2-NE1 3.07Å; W33-V35 HydrophobicContact CB-CG2 3.83Å; W33-L97 HydrophobicContact CH2-CD2 3.89Å; W33-L97 HydrophobicContact CZ3-CB 4.13Å; W33-L97 HydrophobicContact CZ3-CD2 3.79Å; W33-L454 HydrophobicContact CZ2-CD1 4.27Å; W33-E458 HydrophobicContact CZ2-CG 4.32Å; W33-I461 HydrophobicContact CH2-CD1 3.77Å; W33-I461 HydrophobicContact CH2-CG1 4.38Å; W33-I461 HydrophobicContact CH2-CG2 4.15Å; W33-I461 HydrophobicContact CZ2-CD1 4.27Å; W33-I461 HydrophobicContact CZ3-CG2 4.39Å
34D94.1Very high92.8Very high104 Ų10439.5 Ų39.556%0.55621%0.207SC*.EExtended strand (participates in β ladder)trans-81.5117162.6179.820.5000108.9R5 T6 A7R5-D34 PolarHBondContact O-N 2.89Å; T6-D34 WeakPolarHBondContact CA-O 3.29Å; T6-D34 HydrophobicContact CG2-CB 4.21Å; A7-D34 PolarHBondContact N-O 3.38Å
35V95.2Very high92.3Very high0 Ų040.8 Ų40.80%021%0.214CC..EExtended strand (participates in β ladder)trans-122.2122.3-168.1-175.10000110.8A7 V9 A25 L28 A29 W33 L52 K53A7-V35 WeakPolarHBondContact O-CA 3.08Å; V9-V35 HydrophobicContact CG2-CG1 3.93Å; A25-V35 HydrophobicContact CB-CG1 4Å; L28-V35 HydrophobicContact CB-CG2 3.55Å; A29-V35 HydrophobicContact CB-CB 4.4Å; A29-V35 HydrophobicContact CB-CG2 4.01Å; W33-V35 HydrophobicContact CB-CG2 3.83Å; V35-L52 HydrophobicContact CB-CD2 3.6Å; V35-L52 HydrophobicContact CG1-CD2 3.69Å; V35-L52 HydrophobicContact CG2-CD2 4.39Å; V35-K53 PolarHBondContact O-N 2.93Å
36T95.8Very high91.2Very high13 Ų1346.5 Ų46.58%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-103.2128.1163.4-61.60000109A7 H8 V9 K53 L55A7-T36 PolarHBondContact O-N 3.13Å; H8-T36 CarbonylContact C-O 3.59Å; H8-T36 WeakPolarHBondContact CA-O 3.46Å; V9-T36 PolarHBondContact N-O 3.48Å; T36-K53 CarbonylContact C-O 3.3Å; T36-K53 VanDerWaalsContact CA-O 3.25Å; T36-K53 WeakPolarHBondContact CA-O 3.35Å; T36-K53 HydrophobicContact CG2-CB 4.37Å; T36-K53 HydrophobicContact CG2-CD 4.48Å; T36-K53 HydrophobicContact CG2-CG 4.36Å; T36-L55 HydrophobicContact CG2-CD1 3.51Å; T36-L55 HydrophobicContact CG2-CG 3.94Å
37I95.8Very high89.7Confident1 Ų148 Ų481%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-107.5141.3171.9-172.3171.9000110V9 L15 L22 A25 K53 V54 L55V9-I37 HydrophobicContact CB-CB 4.49Å; V9-I37 HydrophobicContact CB-CG1 4.32Å; V9-I37 HydrophobicContact CG1-CG1 4.42Å; V9-I37 CarbonylContact O-C 3.51Å; V9-I37 VanDerWaalsContact O-CA 3.29Å; V9-I37 WeakPolarHBondContact O-CA 3.42Å; L15-I37 HydrophobicContact CD2-CD1 3.78Å; L15-I37 HydrophobicContact CD2-CG1 3.89Å; L22-I37 HydrophobicContact CD1-CD1 3.86Å; A25-I37 HydrophobicContact CB-CB 4.24Å; A25-I37 HydrophobicContact CB-CD1 3.83Å; A25-I37 HydrophobicContact CB-CG1 4.36Å; I37-K53 PolarHBondContact N-O 3.38Å; I37-V54 HydrophobicContact CG2-CB 4.18Å; I37-V54 HydrophobicContact CG2-CG1 4.12Å; I37-V54 HydrophobicContact CG2-CG2 3.85Å; I37-L55 PolarHBondContact O-N 2.84Å
38S96.2Very high87.9Confident0 Ų050.7 Ų50.70%028%0.281CS..EExtended strand (participates in β ladder)trans-138.1138.9178.6-58.60000113.4H8 V9 I10 V11 L55 H88H8-S38 PolarHBondContact NE2-OG 2.9Å; V9-S38 PolarHBondContact O-N 3.26Å; I10-S38 WeakPolarHBondContact CA-O 3.42Å; V11-S38 PolarHBondContact N-O 2.96Å; S38-L55 VanDerWaalsContact CA-O 3.23Å; S38-L55 WeakPolarHBondContact CA-O 3.49Å; S38-H88 VanDerWaalsContact CB-NE2 3.27Å; S38-H88 WeakPolarHBondContact CB-NE2 3.27Å; S38-H88 PolarHBondContact OG-NE2 2.91Å
39G95.6Very high86.1Confident0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-177.1-166.2175.200000112.1V11 L55 G56 I57V11-G39 WeakPolarHBondContact O-CA 3.41Å; G39-L55 PolarHBondContact N-O 3.33Å; G39-G56 CarbonylContact O-C 3.57Å; G39-G56 WeakPolarHBondContact O-CA 3.48Å; G39-I57 PolarHBondContact O-N 3.34Å
40Y94.6Very high84.7Confident31 Ų3159.1 Ų59.112%0.12232%0.323CS..EExtended strand (participates in β ladder)trans-80.2152176.9-52-36.8000110.9L12 G13 L15 A42 I57 M59L12-Y40 HydrophobicContact CD2-CE1 4.48Å; L12-Y40 VanDerWaalsContact O-CE2 3.25Å; L12-Y40 WeakPolarHBondContact O-CE2 3.49Å; G13-Y40 VanDerWaalsContact C-CD2 3.47Å; G13-Y40 VanDerWaalsContact CA-CD2 3.49Å; G13-Y40 WeakPolarHBondContact O-CB 3.15Å; G13-Y40 PolarHBondContact O-N 3.29Å; L15-Y40 PolarHBondContact N-O 2.81Å; L15-Y40 VanDerWaalsContact N-O 3.07Å; Y40-A42 PolarHBondContact O-N 3.32Å; Y40-I57 HydrophobicContact CD1-CB 4.21Å; Y40-I57 WeakPolarHBondContact CD1-O 3.46Å; Y40-I57 HydrophobicContact CE1-CB 4.18Å; Y40-I57 HydrophobicContact CE1-CG2 4.03Å; Y40-M59 HydrophobicContact CD1-CG 3.61Å; Y40-M59 HydrophobicContact CD2-CE 4.45Å; Y40-M59 HydrophobicContact CD2-CG 4.25Å; Y40-M59 HydrophobicContact CE1-CG 4.25Å; Y40-M59 HydrophobicContact CG-CG 3.62Å; Y40-M59 HydrophobicContact CG-SD 4.29Å
41K90.1Very high84Confident78 Ų7861 Ų6134%0.33934%0.335SS..  trans52.846.8178.4-54.2-168.7-164.5154.40114.4D14 E43 T44 M59D14-K41 WeakPolarHBondContact OD2-CD 3.48Å; D14-K41 WeakPolarHBondContact OD2-CE 3.22Å; D14-K41 IonicContact OD2-NZ 3.79Å; D14-K41 PolarHBondContact OD2-NZ 2.99Å; K41-E43 WeakPolarHBondContact CA-OE1 3.45Å; K41-E43 VanDerWaalsContact CA-OE2 3.29Å; K41-E43 WeakPolarHBondContact CA-OE2 3.07Å; K41-E43 PolarHBondContact O-N 3.34Å; K41-E43 VanDerWaalsContact O-N 3.16Å; K41-T44 HydrophobicContact CB-CG2 3.96Å; K41-T44 WeakPolarHBondContact O-CB 3.45Å; K41-T44 PolarHBondContact O-N 2.88Å; K41-T44 PolarHBondContact O-OG1 2.91Å; K41-M59 HydrophobicContact CG-SD 4.26Å
42A88.5Confident83.8Confident16 Ų1660.6 Ų60.613%0.13233%0.333CS..G310 helixtrans-56.5-28.4-179.700000114.1L15 Y40 T44 I45 V54L15-A42 HydrophobicContact CD1-CB 4.22Å; Y40-A42 PolarHBondContact O-N 3.32Å; A42-T44 PolarHBondContact O-N 2.85Å; A42-I45 PolarHBondContact O-N 3.17Å; A42-V54 HydrophobicContact CB-CG1 3.77Å
43E86.4Confident83.8Confident153 Ų15363.5 Ų63.572%0.71533%0.328SS*.G310 helixtrans-62.1-18.3175.266.7-78.4179.500114K41 I45K41-E43 WeakPolarHBondContact CA-OE1 3.45Å; K41-E43 VanDerWaalsContact CA-OE2 3.29Å; K41-E43 WeakPolarHBondContact CA-OE2 3.07Å; K41-E43 PolarHBondContact O-N 3.34Å; K41-E43 VanDerWaalsContact O-N 3.16Å; E43-I45 VanDerWaalsContact C-N 3.32Å
44T82.7Confident83.8Confident70 Ų7064.8 Ų64.843%0.42934%0.337SS..G310 helixtrans-80.4-13.6178.463.40000113.4K41 A42K41-T44 HydrophobicContact CB-CG2 3.96Å; K41-T44 WeakPolarHBondContact O-CB 3.45Å; K41-T44 PolarHBondContact O-N 2.88Å; K41-T44 PolarHBondContact O-OG1 2.91Å; A42-T44 PolarHBondContact O-N 2.85Å
45I83.1Confident83.8Confident28 Ų2861.2 Ų61.214%0.14432%0.318CS..SBendtrans-91115.9179.8-58.3-58.4000109L15 L22 A42 E43 P47 V54L15-I45 HydrophobicContact CB-CD1 3.95Å; L15-I45 HydrophobicContact CB-CG1 3.78Å; L15-I45 HydrophobicContact CD1-CG1 4.23Å; L22-I45 HydrophobicContact CD2-CD1 4.35Å; A42-I45 PolarHBondContact O-N 3.17Å; E43-I45 VanDerWaalsContact C-N 3.32Å; I45-P47 VanDerWaalsContact O-CD 3.24Å; I45-P47 WeakPolarHBondContact O-CD 3.41Å; I45-V54 HydrophobicContact CB-CG1 4.38Å; I45-V54 HydrophobicContact CG2-CG2 4.13Å
46N71.7Confident83.8Confident119 Ų11963.2 Ų63.264%0.63634%0.338SS*.  trans-74.2115.3175-167.6-10.5000110.1S48N46-S48 PolarHBondContact ND2-OG 3.47Å; N46-S48 PolarHBondContact O-N 3.45Å; N46-S48 VanDerWaalsContact O-N 3.16Å; N46-S48 PolarHBondContact OD1-N 2.9Å; N46-S48 PolarHBondContact OD1-OG 3.48Å
47P60.9Low83.8Confident87 Ų8763 Ų6357%0.56534%0.337SS*.G310 helixtrans-67-14.9-177.3-17.531.3000113.8I45 N49 I50I45-P47 VanDerWaalsContact O-CD 3.24Å; I45-P47 WeakPolarHBondContact O-CD 3.41Å; P47-N49 PolarHBondContact O-N 3.12Å; P47-N49 VanDerWaalsContact O-N 3.09Å; P47-I50 PolarHBondContact O-N 2.89Å
48S55.3Low83.7Confident82 Ų8266.4 Ų66.457%0.57336%0.359SS*.G310 helixtrans-62.3-23.8-165.355.60000115.1N46N46-S48 PolarHBondContact ND2-OG 3.47Å; N46-S48 PolarHBondContact O-N 3.45Å; N46-S48 VanDerWaalsContact O-N 3.16Å; N46-S48 PolarHBondContact OD1-N 2.9Å; N46-S48 PolarHBondContact OD1-OG 3.48Å
49N57Low83.5Confident143 Ų14371.4 Ų71.477%0.76538%0.384SS*.G310 helixtrans-89.8-18.4-174.8-70.8-7.3000113.6P47P47-N49 PolarHBondContact O-N 3.12Å; P47-N49 VanDerWaalsContact O-N 3.09Å
50I64.4Low83.2Confident54 Ų5472.8 Ų72.828%0.27739%0.393SS..SBendtrans-151131.4-163.1-41.7-179.3000110.7Q26 A29 P47 L52Q26-I50 HydrophobicContact CB-CD1 4Å; Q26-I50 HydrophobicContact CB-CG2 4.48Å; Q26-I50 HydrophobicContact CG-CD1 3.22Å; Q26-I50 HydrophobicContact CG-CG1 4.49Å; Q26-I50 HydrophobicContact CG-CG2 4.34Å; A29-I50 HydrophobicContact CB-CG2 4.42Å; P47-I50 PolarHBondContact O-N 2.89Å; I50-L52 HydrophobicContact CB-CD1 4.11Å; I50-L52 HydrophobicContact CB-CG 4.07Å; I50-L52 HydrophobicContact CG2-CD1 3.8Å; I50-L52 HydrophobicContact CG2-CD2 4.26Å; I50-L52 HydrophobicContact CG2-CG 3.61Å; I50-L52 PolarHBondContact O-N 2.81Å
51K76.8Confident82.8Confident201 Ų20174.5 Ų74.587%0.87441%0.408SS*.  trans-6864.6176.4-65.7-178.4179.1179.40111.7
52L89Confident82.6Confident23 Ų2376.1 Ų76.112%0.1242%0.42CS..  trans-117136.3178.4-61.2176.4000109.6A25 Q26 A29 V35 I50 V54A25-L52 HydrophobicContact CB-CD1 4.26Å; A25-L52 HydrophobicContact CB-CD2 4.4Å; A25-L52 WeakPolarHBondContact O-CD2 3.32Å; Q26-L52 HydrophobicContact CG-CD1 4.02Å; A29-L52 HydrophobicContact CB-CD2 3.48Å; A29-L52 VanDerWaalsContact CB-CD2 3.48Å; A29-L52 HydrophobicContact CB-CG 4.46Å; V35-L52 HydrophobicContact CB-CD2 3.6Å; V35-L52 HydrophobicContact CG1-CD2 3.69Å; V35-L52 HydrophobicContact CG2-CD2 4.39Å; I50-L52 HydrophobicContact CB-CD1 4.11Å; I50-L52 HydrophobicContact CB-CG 4.07Å; I50-L52 HydrophobicContact CG2-CD1 3.8Å; I50-L52 HydrophobicContact CG2-CD2 4.26Å; I50-L52 HydrophobicContact CG2-CG 3.61Å; I50-L52 PolarHBondContact O-N 2.81Å; L52-V54 PolarHBondContact O-N 2.8Å
53K92.7Very high82.3Confident121 Ų12176.9 Ų76.953%0.52642%0.421SS..EExtended strand (participates in β ladder)trans-84.4111.3166.3-175.4176.1-178.3175.10109.1V35 T36 I37 L55V35-K53 PolarHBondContact O-N 2.93Å; T36-K53 CarbonylContact C-O 3.3Å; T36-K53 VanDerWaalsContact CA-O 3.25Å; T36-K53 WeakPolarHBondContact CA-O 3.35Å; T36-K53 HydrophobicContact CG2-CB 4.37Å; T36-K53 HydrophobicContact CG2-CD 4.48Å; T36-K53 HydrophobicContact CG2-CG 4.36Å; I37-K53 PolarHBondContact N-O 3.38Å; K53-L55 HydrophobicContact CG-CD2 4.46Å; K53-L55 HydrophobicContact CG-CG 4.43Å
54V93.7Very high81.9Confident36 Ų3677.4 Ų77.422%0.21842%0.416CS..EExtended strand (participates in β ladder)trans-94.6129.9179-168.60000109.6L15 I37 A42 I45 L52L15-V54 HydrophobicContact CD1-CG1 3.96Å; I37-V54 HydrophobicContact CG2-CB 4.18Å; I37-V54 HydrophobicContact CG2-CG1 4.12Å; I37-V54 HydrophobicContact CG2-CG2 3.85Å; A42-V54 HydrophobicContact CB-CG1 3.77Å; I45-V54 HydrophobicContact CB-CG1 4.38Å; I45-V54 HydrophobicContact CG2-CG2 4.13Å; L52-V54 PolarHBondContact O-N 2.8Å
55L94.7Very high81.9Confident29 Ų2977.2 Ų77.215%0.15242%0.422CS..EExtended strand (participates in β ladder)trans-128.8140.3176.9-60.2175.2000111.4T36 I37 S38 G39 K53 Y92T36-L55 HydrophobicContact CG2-CD1 3.51Å; T36-L55 HydrophobicContact CG2-CG 3.94Å; I37-L55 PolarHBondContact O-N 2.84Å; S38-L55 VanDerWaalsContact CA-O 3.23Å; S38-L55 WeakPolarHBondContact CA-O 3.49Å; G39-L55 PolarHBondContact N-O 3.33Å; K53-L55 HydrophobicContact CG-CD2 4.46Å; K53-L55 HydrophobicContact CG-CG 4.43Å; L55-Y92 HydrophobicContact CD1-CD1 3.9Å; L55-Y92 HydrophobicContact CD1-CD2 4.42Å; L55-Y92 HydrophobicContact CD1-CG 3.75Å
56G94.8Very high81.9Confident42 Ų4280.9 Ų80.943%0.43344%0.441SS..EExtended strand (participates in β ladder)trans-83.6136.9175.100000112.4G39G39-G56 CarbonylContact O-C 3.57Å; G39-G56 WeakPolarHBondContact O-CA 3.48Å
57I95.8Very high82.4Confident8 Ų883.6 Ų83.64%0.04145%0.45CS..PPolyproline II helixtrans-96.8131.2163.6-59.2177.4000107.4I10 L12 G39 Y40 M59 L85I10-I57 HydrophobicContact CG2-CD1 3.99Å; L12-I57 HydrophobicContact CD2-CD1 3.9Å; L12-I57 HydrophobicContact CD2-CG2 4.3Å; G39-I57 PolarHBondContact O-N 3.34Å; Y40-I57 HydrophobicContact CD1-CB 4.21Å; Y40-I57 WeakPolarHBondContact CD1-O 3.46Å; Y40-I57 HydrophobicContact CE1-CB 4.18Å; Y40-I57 HydrophobicContact CE1-CG2 4.03Å; I57-M59 PolarHBondContact O-N 3.35Å; I57-L85 HydrophobicContact CD1-CD1 4.41Å
58P93.5Very high83.4Confident74 Ų7483.6 Ų83.648%0.48144%0.441SS..PPolyproline II helixtrans-57.9130.1177.4-25.534.7000112F80P58-F80 HydrophobicContact CB-CE1 4.47Å; P58-F80 HydrophobicContact CB-CZ 4.36Å
59M91.4Very high84.7Confident104 Ų10482.8 Ų82.851%0.51243%0.434SS..PPolyproline II helixtrans-75.2143.3173.2-67-177.571.600110.2Y40 K41 I57 F80Y40-M59 HydrophobicContact CD1-CG 3.61Å; Y40-M59 HydrophobicContact CD2-CE 4.45Å; Y40-M59 HydrophobicContact CD2-CG 4.25Å; Y40-M59 HydrophobicContact CE1-CG 4.25Å; Y40-M59 HydrophobicContact CG-CG 3.62Å; Y40-M59 HydrophobicContact CG-SD 4.29Å; K41-M59 HydrophobicContact CG-SD 4.26Å; I57-M59 PolarHBondContact O-N 3.35Å; M59-F80 WeakPolarHBondContact O-CE1 3.34Å
60C89.8Confident85.8Confident30 Ų3080 Ų8020%0.20343%0.426CS..PPolyproline II helixtrans-59.6130.3171.9-177.60000110.3F63 K77 F80C60-F63 WeakPolarHBondContact SG-CE2 3.09Å; C60-K77 HydrophobicContact CB-CG 4.24Å; C60-F80 VanDerWaalsContact CA-CD1 3.47Å; C60-F80 VanDerWaalsContact CA-CE1 3.47Å; C60-F80 HydrophobicContact CB-CD1 3.77Å; C60-F80 HydrophobicContact CB-CE1 4.27Å; C60-F80 HydrophobicContact CB-CG 4.44Å
61P87.2Confident86.6Confident66 Ų6683.5 Ų83.543%0.42944%0.439SS..PPolyproline II helixtrans-54.5151169.3-24.633.9000111.1F63 F80P61-F63 VanDerWaalsContact C-N 3.29Å; P61-F63 HydrophobicContact CB-CD1 4.45Å; P61-F63 HydrophobicContact CB-CE1 4.15Å; P61-F63 HydrophobicContact CG-CE1 4.38Å; P61-F63 HydrophobicContact CG-CZ 4.43Å; P61-F63 PolarHBondContact O-N 3.23Å; P61-F80 HydrophobicContact CG-CE2 4.19Å; P61-F80 HydrophobicContact CG-CZ 4.47Å
62N84.5Confident87Confident113 Ų11377.7 Ų77.760%0.60442%0.416SS*.  trans-74.583176.4-173.83.6000110.6R64 A65N62-R64 PolarHBondContact O-N 3.1Å; N62-R64 VanDerWaalsContact O-N 3.09Å; N62-R64 WeakPolarHBondContact OD1-CB 3.14Å; N62-R64 PolarHBondContact OD1-N 3.13Å; N62-A65 VanDerWaalsContact O-CB 3.3Å; N62-A65 WeakPolarHBondContact O-CB 3.26Å; N62-A65 PolarHBondContact O-N 3.18Å
63F83.3Confident86.8Confident32 Ų3277.2 Ų77.214%0.1441%0.414CS..G310 helixtrans-62-16.4179.5-63.2-51.8000113.9C60 P61 A65 L66 V73 L76 F80C60-F63 WeakPolarHBondContact SG-CE2 3.09Å; P61-F63 VanDerWaalsContact C-N 3.29Å; P61-F63 HydrophobicContact CB-CD1 4.45Å; P61-F63 HydrophobicContact CB-CE1 4.15Å; P61-F63 HydrophobicContact CG-CE1 4.38Å; P61-F63 HydrophobicContact CG-CZ 4.43Å; P61-F63 PolarHBondContact O-N 3.23Å; F63-A65 PolarHBondContact O-N 3.28Å; F63-L66 HydrophobicContact CD1-CD1 3.87Å; F63-L66 WeakPolarHBondContact O-CB 3.38Å; F63-L66 PolarHBondContact O-N 2.8Å; F63-L66 VanDerWaalsContact O-N 3.1Å; F63-V73 HydrophobicContact CB-CG1 4.24Å; F63-V73 HydrophobicContact CB-CG2 4.29Å; F63-L76 HydrophobicContact CD2-CB 3.58Å; F63-L76 HydrophobicContact CE2-CB 3.62Å; F63-L76 HydrophobicContact CG-CB 4.17Å; F63-L76 HydrophobicContact CG-CD1 4.38Å; F63-L76 HydrophobicContact CZ-CB 4.24Å; F63-F80 HydrophobicContact CE2-CB 4.18Å; F63-F80 HydrophobicContact CZ-CB 4.3Å; F63-F80 HydrophobicContact CZ-CD2 4.44Å
64R77.4Confident86.3Confident163 Ų16375.9 Ų75.962%0.61541%0.408SS*.G310 helixtrans-65.1-29.9172-64.7-174.5174.9165-2.5112.1N62 L66 H67 V73N62-R64 PolarHBondContact O-N 3.1Å; N62-R64 VanDerWaalsContact O-N 3.09Å; N62-R64 WeakPolarHBondContact OD1-CB 3.14Å; N62-R64 PolarHBondContact OD1-N 3.13Å; R64-L66 PolarHBondContact O-N 3.11Å; R64-H67 PolarHBondContact O-N 3.32Å; R64-H67 VanDerWaalsContact O-N 3.11Å; R64-V73 HydrophobicContact CG-CG1 3.86Å; R64-V73 HydrophobicContact CG-CG2 4.17Å
65A82.9Confident86.1Confident67 Ų6778.4 Ų78.455%0.55442%0.42SS*.G310 helixtrans-66.6-15175.200000112.6N62 F63 H67N62-A65 VanDerWaalsContact O-CB 3.3Å; N62-A65 WeakPolarHBondContact O-CB 3.26Å; N62-A65 PolarHBondContact O-N 3.18Å; F63-A65 PolarHBondContact O-N 3.28Å; A65-H67 VanDerWaalsContact C-N 3.32Å
66L83.7Confident85.9Confident104 Ų10479.7 Ų79.755%0.54543%0.427SS..G310 helixtrans-92.411.1175.5-56.3176.5000112.7F63 R64 F68F63-L66 HydrophobicContact CD1-CD1 3.87Å; F63-L66 WeakPolarHBondContact O-CB 3.38Å; F63-L66 PolarHBondContact O-N 2.8Å; F63-L66 VanDerWaalsContact O-N 3.1Å; R64-L66 PolarHBondContact O-N 3.11Å; L66-F68 HydrophobicContact CB-CD2 3.73Å; L66-F68 HydrophobicContact CB-CE2 3.73Å; L66-F68 HydrophobicContact CD1-CD2 4.34Å; L66-F68 HydrophobicContact CD1-CE2 3.8Å; L66-F68 HydrophobicContact CG-CE2 4.44Å; L66-F68 PolarHBondContact O-N 2.88Å; L66-F68 VanDerWaalsContact O-N 3.08Å
67H80.9Confident85.7Confident177 Ų17783.1 Ų83.182%0.81943%0.429SS*.THydrogen-bonded Turntrans5721.7178-61.9-82.2000115.6R64 A65R64-H67 PolarHBondContact O-N 3.32Å; R64-H67 VanDerWaalsContact O-N 3.11Å; A65-H67 VanDerWaalsContact C-N 3.32Å
68F82Confident85.4Confident86 Ų8686.5 Ų86.538%0.37744%0.444SS..  trans-66146.4172.9-73.8-60.1000111.9L66 M72 V73 L76L66-F68 HydrophobicContact CB-CD2 3.73Å; L66-F68 HydrophobicContact CB-CE2 3.73Å; L66-F68 HydrophobicContact CD1-CD2 4.34Å; L66-F68 HydrophobicContact CD1-CE2 3.8Å; L66-F68 HydrophobicContact CG-CE2 4.44Å; L66-F68 PolarHBondContact O-N 2.88Å; L66-F68 VanDerWaalsContact O-N 3.08Å; F68-M72 HydrophobicContact CB-CB 4.16Å; F68-M72 HydrophobicContact CD1-SD 4.12Å; F68-V73 HydrophobicContact CB-CG2 3.77Å; F68-L76 HydrophobicContact CD2-CD1 3.71Å; F68-L76 HydrophobicContact CE2-CD1 3.75Å; F68-L76 HydrophobicContact CG-CD1 4.23Å; F68-L76 HydrophobicContact CZ-CD1 4.31Å
69P83.2Confident85.5Confident66 Ų6686.8 Ų86.843%0.42944%0.44SS..  trans-53.6145.4168.7-24.633.3000111.7F71 M72 V73P69-F71 HydrophobicContact CB-CD1 3.73Å; P69-F71 HydrophobicContact CB-CE1 3.58Å; P69-F71 HydrophobicContact CG-CE1 4.16Å; P69-F71 PolarHBondContact O-N 3.41Å; P69-F71 VanDerWaalsContact O-N 3.09Å; P69-M72 HydrophobicContact CG-SD 4.27Å; P69-M72 WeakPolarHBondContact O-CB 3.39Å; P69-M72 PolarHBondContact O-N 2.98Å; P69-V73 PolarHBondContact O-N 2.96Å; P69-V73 VanDerWaalsContact O-N 3.09Å
70S80.4Confident85.7Confident84 Ų8484.8 Ų84.859%0.58743%0.429SS*.Hα-helixtrans-51.2-40.8-174.8-62.30000113.5M72 V73 F74S70-M72 PolarHBondContact O-N 2.77Å; S70-V73 WeakPolarHBondContact O-CB 3.04Å; S70-V73 PolarHBondContact O-N 2.96Å; S70-F74 WeakPolarHBondContact O-CD2 3.33Å; S70-F74 PolarHBondContact O-N 3.07Å; S70-F74 VanDerWaalsContact O-N 3.15Å
71F80.8Confident85.9Confident127 Ų12784 Ų8456%0.55742%0.423SS*.Hα-helixtrans-64.5-39.5178.680.7-91.2000112.6P69 F74 I75P69-F71 HydrophobicContact CB-CD1 3.73Å; P69-F71 HydrophobicContact CB-CE1 3.58Å; P69-F71 HydrophobicContact CG-CE1 4.16Å; P69-F71 PolarHBondContact O-N 3.41Å; P69-F71 VanDerWaalsContact O-N 3.09Å; F71-F74 PolarHBondContact O-N 2.82Å; F71-I75 HydrophobicContact CD2-CD1 4.04Å; F71-I75 WeakPolarHBondContact O-CG1 3.35Å; F71-I75 PolarHBondContact O-N 3.29Å; F71-I75 VanDerWaalsContact O-N 3.11Å
72M85.9Confident86.3Confident80 Ų8081.4 Ų81.439%0.39441%0.408SS..Hα-helixtrans-66.1-40.8176.1-74.1-172.2157.400111F68 P69 S70 F74 I75 L76F68-M72 HydrophobicContact CB-CB 4.16Å; F68-M72 HydrophobicContact CD1-SD 4.12Å; P69-M72 HydrophobicContact CG-SD 4.27Å; P69-M72 WeakPolarHBondContact O-CB 3.39Å; P69-M72 PolarHBondContact O-N 2.98Å; S70-M72 PolarHBondContact O-N 2.77Å; M72-F74 VanDerWaalsContact C-N 3.26Å; M72-F74 PolarHBondContact O-N 2.82Å; M72-I75 PolarHBondContact O-N 2.99Å; M72-L76 WeakPolarHBondContact O-CB 3.44Å; M72-L76 VanDerWaalsContact O-CG 3.3Å; M72-L76 WeakPolarHBondContact O-CG 3.26Å; M72-L76 PolarHBondContact O-N 3.36Å
73V85.3Confident86.9Confident13 Ų1381 Ų818%0.07941%0.405CS..Hα-helixtrans-56.6-42.8175171.60000111F63 R64 F68 P69 S70 K77F63-V73 HydrophobicContact CB-CG1 4.24Å; F63-V73 HydrophobicContact CB-CG2 4.29Å; R64-V73 HydrophobicContact CG-CG1 3.86Å; R64-V73 HydrophobicContact CG-CG2 4.17Å; F68-V73 HydrophobicContact CB-CG2 3.77Å; P69-V73 PolarHBondContact O-N 2.96Å; P69-V73 VanDerWaalsContact O-N 3.09Å; S70-V73 WeakPolarHBondContact O-CB 3.04Å; S70-V73 PolarHBondContact O-N 2.96Å; V73-K77 WeakPolarHBondContact O-CB 3.29Å; V73-K77 PolarHBondContact O-N 2.72Å
74F81.6Confident87.5Confident92 Ų9280.2 Ų80.240%0.40440%0.404SS..Hα-helixtrans-64.8-44.5176.7-74.2-68.7000112.6S70 F71 M72 K77 F78 F145S70-F74 WeakPolarHBondContact O-CD2 3.33Å; S70-F74 PolarHBondContact O-N 3.07Å; S70-F74 VanDerWaalsContact O-N 3.15Å; F71-F74 PolarHBondContact O-N 2.82Å; M72-F74 VanDerWaalsContact C-N 3.26Å; M72-F74 PolarHBondContact O-N 2.82Å; F74-K77 PolarHBondContact O-N 3.22Å; F74-F78 WeakPolarHBondContact O-CB 3.31Å; F74-F78 PolarHBondContact O-N 2.69Å; F74-F145 HydrophobicContact CB-CE2 4.46Å; F74-F145 HydrophobicContact CD1-CE2 4.39Å; F74-F145 AromaticContact CD1-CZ 3.94Å; F74-F145 HydrophobicContact CD1-CZ 3.94Å; F74-F145 HydrophobicContact CE1-CZ 4.11Å; F74-F145 HydrophobicContact CG-CE2 4.26Å; F74-F145 HydrophobicContact CG-CZ 4.26Å
75I88.1Confident88.5Confident90 Ų9072.4 Ų72.446%0.46238%0.375SS..Hα-helixtrans-63.8-47.3178.5-66.5168.8000110.8F71 M72 K77 F78 I79F71-I75 HydrophobicContact CD2-CD1 4.04Å; F71-I75 WeakPolarHBondContact O-CG1 3.35Å; F71-I75 PolarHBondContact O-N 3.29Å; F71-I75 VanDerWaalsContact O-N 3.11Å; M72-I75 PolarHBondContact O-N 2.99Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 2.64Å; I75-F78 WeakPolarHBondContact O-CB 3.48Å; I75-F78 PolarHBondContact O-N 3.4Å; I75-I79 HydrophobicContact CG2-CD1 3.81Å; I75-I79 HydrophobicContact CG2-CG1 4.46Å; I75-I79 WeakPolarHBondContact O-CG1 3.19Å; I75-I79 PolarHBondContact O-N 3.41Å
76L90.9Very high89.2Confident56 Ų5672.6 Ų72.629%0.29336%0.363SS..Hα-helixtrans-62.5-42.1178-69.1174.1000111.3F63 F68 M72 I79 F80F63-L76 HydrophobicContact CD2-CB 3.58Å; F63-L76 HydrophobicContact CE2-CB 3.62Å; F63-L76 HydrophobicContact CG-CB 4.17Å; F63-L76 HydrophobicContact CG-CD1 4.38Å; F63-L76 HydrophobicContact CZ-CB 4.24Å; F68-L76 HydrophobicContact CD2-CD1 3.71Å; F68-L76 HydrophobicContact CE2-CD1 3.75Å; F68-L76 HydrophobicContact CG-CD1 4.23Å; F68-L76 HydrophobicContact CZ-CD1 4.31Å; M72-L76 WeakPolarHBondContact O-CB 3.44Å; M72-L76 VanDerWaalsContact O-CG 3.3Å; M72-L76 WeakPolarHBondContact O-CG 3.26Å; M72-L76 PolarHBondContact O-N 3.36Å; L76-I79 PolarHBondContact O-N 2.88Å; L76-F80 WeakPolarHBondContact O-CB 3.38Å; L76-F80 PolarHBondContact O-N 3.13Å
77K90.5Very high89.8Confident113 Ų11371.4 Ų71.449%0.49136%0.363SS..Hα-helixtrans-61.2-44.4174.4-176.3176.9-178-176.80111.5C60 V73 F74 I75 T81C60-K77 HydrophobicContact CB-CG 4.24Å; V73-K77 WeakPolarHBondContact O-CB 3.29Å; V73-K77 PolarHBondContact O-N 2.72Å; F74-K77 PolarHBondContact O-N 3.22Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 2.64Å; K77-T81 VanDerWaalsContact O-CB 3.29Å; K77-T81 WeakPolarHBondContact O-CB 3.34Å; K77-T81 PolarHBondContact O-N 3.43Å; K77-T81 PolarHBondContact O-OG1 3.03Å; K77-T81 VanDerWaalsContact O-OG1 3.07Å
78F91.2Very high90.6Very high79 Ų7963.3 Ų63.335%0.34633%0.325SS..Hα-helixtrans-57.7-52.1175.4174.5-85.9000111.4F74 I75 T81 A82 V106 P107F74-F78 WeakPolarHBondContact O-CB 3.31Å; F74-F78 PolarHBondContact O-N 2.69Å; I75-F78 WeakPolarHBondContact O-CB 3.48Å; I75-F78 PolarHBondContact O-N 3.4Å; F78-T81 PolarHBondContact O-N 3.38Å; F78-A82 WeakPolarHBondContact O-CB 3.43Å; F78-A82 PolarHBondContact O-N 2.91Å; F78-V106 HydrophobicContact CD2-CG1 3.73Å; F78-V106 HydrophobicContact CE2-CG1 3.63Å; F78-P107 HydrophobicContact CD2-CB 3.84Å; F78-P107 HydrophobicContact CD2-CG 4.46Å; F78-P107 HydrophobicContact CE2-CB 3.52Å; F78-P107 HydrophobicContact CZ-CB 3.92Å
79I94.1Very high91.3Very high80 Ų8059.2 Ų59.241%0.4131%0.307SS..Hα-helixtrans-61.9-47.9-178.8-66.4168.4000110.6I75 L76 A82 L83I75-I79 HydrophobicContact CG2-CD1 3.81Å; I75-I79 HydrophobicContact CG2-CG1 4.46Å; I75-I79 WeakPolarHBondContact O-CG1 3.19Å; I75-I79 PolarHBondContact O-N 3.41Å; L76-I79 PolarHBondContact O-N 2.88Å; I79-A82 PolarHBondContact O-N 2.87Å; I79-L83 HydrophobicContact CG2-CD1 3.85Å; I79-L83 HydrophobicContact CG2-CG 4.4Å; I79-L83 WeakPolarHBondContact O-CG 3.09Å; I79-L83 PolarHBondContact O-N 2.95Å
80F95.5Very high92Very high62 Ų6258.9 Ų58.927%0.27231%0.31SS..Hα-helixtrans-60.4-51.3179.6-177.5-81.2000111.2P58 M59 C60 P61 F63 L76 A82 L83 A84P58-F80 HydrophobicContact CB-CE1 4.47Å; P58-F80 HydrophobicContact CB-CZ 4.36Å; M59-F80 WeakPolarHBondContact O-CE1 3.34Å; C60-F80 VanDerWaalsContact CA-CD1 3.47Å; C60-F80 VanDerWaalsContact CA-CE1 3.47Å; C60-F80 HydrophobicContact CB-CD1 3.77Å; C60-F80 HydrophobicContact CB-CE1 4.27Å; C60-F80 HydrophobicContact CB-CG 4.44Å; P61-F80 HydrophobicContact CG-CE2 4.19Å; P61-F80 HydrophobicContact CG-CZ 4.47Å; F63-F80 HydrophobicContact CE2-CB 4.18Å; F63-F80 HydrophobicContact CZ-CB 4.3Å; F63-F80 HydrophobicContact CZ-CD2 4.44Å; L76-F80 WeakPolarHBondContact O-CB 3.38Å; L76-F80 PolarHBondContact O-N 3.13Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 3.45Å; F80-L83 PolarHBondContact O-N 3.13Å; F80-A84 HydrophobicContact CD1-CB 4.33Å; F80-A84 HydrophobicContact CE1-CB 4.04Å; F80-A84 VanDerWaalsContact O-CB 3.25Å; F80-A84 WeakPolarHBondContact O-CB 2.96Å; F80-A84 PolarHBondContact O-N 2.8Å
81T94.4Very high92.8Very high13 Ų1362.9 Ų62.98%0.0831%0.312CS..Hα-helixtrans-62.7-37-179.5-63.80000111.4L12 K77 F78 L85 P107L12-T81 HydrophobicContact CD1-CG2 3.6Å; K77-T81 VanDerWaalsContact O-CB 3.29Å; K77-T81 WeakPolarHBondContact O-CB 3.34Å; K77-T81 PolarHBondContact O-N 3.43Å; K77-T81 PolarHBondContact O-OG1 3.03Å; K77-T81 VanDerWaalsContact O-OG1 3.07Å; F78-T81 PolarHBondContact O-N 3.38Å; T81-L85 VanDerWaalsContact O-CB 3.26Å; T81-L85 WeakPolarHBondContact O-CB 3.15Å; T81-L85 PolarHBondContact O-N 2.57Å; T81-P107 HydrophobicContact CG2-CG 3.87Å
82A95.9Very high93.5Very high12 Ų1261 Ų6110%0.09930%0.302CS..Hα-helixtrans-62.9-49.8176.100000111.9F78 I79 F80 F86 P107 I111F78-A82 WeakPolarHBondContact O-CB 3.43Å; F78-A82 PolarHBondContact O-N 2.91Å; I79-A82 PolarHBondContact O-N 2.87Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 3.45Å; A82-F86 WeakPolarHBondContact O-CB 3.46Å; A82-F86 PolarHBondContact O-N 3.39Å; A82-P107 HydrophobicContact CB-CB 3.91Å; A82-P107 HydrophobicContact CB-CG 3.84Å; A82-I111 HydrophobicContact CB-CD1 3.97Å; A82-I111 HydrophobicContact CB-CG1 4.11Å
83L96.6Very high93.9Very high105 Ų10557.6 Ų57.655%0.5529%0.286SS..Hα-helixtrans-64.9-45.7178.1-69.4173.4000111.6I79 F80 L85 F86 C87I79-L83 HydrophobicContact CG2-CD1 3.85Å; I79-L83 HydrophobicContact CG2-CG 4.4Å; I79-L83 WeakPolarHBondContact O-CG 3.09Å; I79-L83 PolarHBondContact O-N 2.95Å; F80-L83 PolarHBondContact O-N 3.13Å; L83-L85 PolarHBondContact O-N 3.35Å; L83-F86 PolarHBondContact O-N 2.69Å; L83-C87 VanDerWaalsContact O-CB 3.28Å; L83-C87 WeakPolarHBondContact O-CB 3.46Å; L83-C87 PolarHBondContact O-N 3.34Å; L83-C87 PolarHBondContact O-SG 3.05Å
84A96.9Very high94.3Very high15 Ų1566.2 Ų66.212%0.12432%0.317CS..Hα-helixtrans-59.6-46.6178.800000111.4F80 H88F80-A84 HydrophobicContact CD1-CB 4.33Å; F80-A84 HydrophobicContact CE1-CB 4.04Å; F80-A84 VanDerWaalsContact O-CB 3.25Å; F80-A84 WeakPolarHBondContact O-CB 2.96Å; F80-A84 PolarHBondContact O-N 2.8Å; A84-H88 WeakPolarHBondContact O-CB 3.43Å; A84-H88 PolarHBondContact O-N 3.29Å
85L97.1Very high94.9Very high0 Ų062.1 Ų62.10%030%0.3CS..Hα-helixtrans-64.6-45.4177.3178.460000111.7I10 L12 I57 T81 L83 H88 L89 T108 I111I10-L85 HydrophobicContact CG2-CD1 4.29Å; L12-L85 HydrophobicContact CD1-CD2 4.27Å; L12-L85 HydrophobicContact CD2-CD1 4.27Å; I57-L85 HydrophobicContact CD1-CD1 4.41Å; T81-L85 VanDerWaalsContact O-CB 3.26Å; T81-L85 WeakPolarHBondContact O-CB 3.15Å; T81-L85 PolarHBondContact O-N 2.57Å; L83-L85 PolarHBondContact O-N 3.35Å; L85-H88 PolarHBondContact O-N 3.15Å; L85-L89 HydrophobicContact CD1-CD1 4.03Å; L85-L89 HydrophobicContact CD1-CG 4.08Å; L85-L89 HydrophobicContact CG-CD1 3.97Å; L85-L89 HydrophobicContact CG-CG 4.46Å; L85-L89 WeakPolarHBondContact O-CB 3.25Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.44Å; L85-L89 PolarHBondContact O-N 3.43Å; L85-T108 HydrophobicContact CD2-CG2 4.12Å; L85-I111 HydrophobicContact CB-CG2 4.27Å; L85-I111 HydrophobicContact CD2-CB 3.97Å; L85-I111 HydrophobicContact CD2-CG2 3.87Å; L85-I111 HydrophobicContact CG-CB 4.45Å; L85-I111 HydrophobicContact CG-CG2 3.81Å
86F97Very high95.2Very high71 Ų7162 Ų6231%0.31129%0.293SS..Hα-helixtrans-63.3-47.2179.8-174.8-92.6000111.9A82 L83 H88 L89 A90 I111 L114 I118A82-F86 WeakPolarHBondContact O-CB 3.46Å; A82-F86 PolarHBondContact O-N 3.39Å; L83-F86 PolarHBondContact O-N 2.69Å; F86-H88 VanDerWaalsContact C-N 3.32Å; F86-H88 PolarHBondContact O-N 3.45Å; F86-L89 PolarHBondContact O-N 3.2Å; F86-A90 WeakPolarHBondContact O-CB 3.46Å; F86-A90 PolarHBondContact O-N 3.47Å; F86-I111 HydrophobicContact CB-CG2 3.94Å; F86-I111 HydrophobicContact CD2-CG2 4.24Å; F86-L114 HydrophobicContact CE2-CD2 4.26Å; F86-I118 HydrophobicContact CE2-CD1 4.5Å
87C97.3Very high95.5Very high79 Ų7959.3 Ų59.353%0.53428%0.279SS..Hα-helixtrans-61.1-40.3176-71.50000111.9L83 R91L83-C87 VanDerWaalsContact O-CB 3.28Å; L83-C87 WeakPolarHBondContact O-CB 3.46Å; L83-C87 PolarHBondContact O-N 3.34Å; L83-C87 PolarHBondContact O-SG 3.05Å; C87-R91 VanDerWaalsContact O-CB 3.26Å; C87-R91 WeakPolarHBondContact O-CB 3.27Å; C87-R91 PolarHBondContact O-N 2.95Å
88H97.5Very high95.8Very high7 Ų753.9 Ų53.93%0.03226%0.256CS..Hα-helixtrans-61.5-49.6175.6-17583.9000111.7H8 S38 A84 L85 F86 R91 Y92H8-H88 AromaticContact NE2-NE2 3.87Å; S38-H88 VanDerWaalsContact CB-NE2 3.27Å; S38-H88 WeakPolarHBondContact CB-NE2 3.27Å; S38-H88 PolarHBondContact OG-NE2 2.91Å; A84-H88 WeakPolarHBondContact O-CB 3.43Å; A84-H88 PolarHBondContact O-N 3.29Å; L85-H88 PolarHBondContact O-N 3.15Å; F86-H88 VanDerWaalsContact C-N 3.32Å; F86-H88 PolarHBondContact O-N 3.45Å; H88-R91 PolarHBondContact O-N 3.47Å; H88-Y92 AromaticContact CE1-CD2 3.68Å; H88-Y92 AromaticContact ND1-CD2 3.44Å; H88-Y92 WeakPolarHBondContact ND1-CD2 3.26Å; H88-Y92 AromaticContact ND1-CE2 3.85Å; H88-Y92 WeakPolarHBondContact O-CB 3.47Å; H88-Y92 WeakPolarHBondContact O-CD2 3.41Å; H88-Y92 PolarHBondContact O-N 3.25Å
89L97.6Very high96.1Very high0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-59.4-48.5177.2-73.4169.6000111.4I10 L85 F86 R91 C93 I98 I111 L112 F115I10-L89 HydrophobicContact CD1-CD2 3.4Å; I10-L89 HydrophobicContact CD1-CG 4.47Å; L85-L89 HydrophobicContact CD1-CD1 4.03Å; L85-L89 HydrophobicContact CD1-CG 4.08Å; L85-L89 HydrophobicContact CG-CD1 3.97Å; L85-L89 HydrophobicContact CG-CG 4.46Å; L85-L89 WeakPolarHBondContact O-CB 3.25Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.44Å; L85-L89 PolarHBondContact O-N 3.43Å; F86-L89 PolarHBondContact O-N 3.2Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.47Å; L89-C93 HydrophobicContact CB-CB 4.45Å; L89-C93 HydrophobicContact CD2-CB 3.98Å; L89-C93 WeakPolarHBondContact O-CA 3.47Å; L89-C93 WeakPolarHBondContact O-CB 3.47Å; L89-C93 PolarHBondContact O-N 2.88Å; L89-I98 HydrophobicContact CD2-CD1 4.41Å; L89-I111 HydrophobicContact CD1-CG2 3.97Å; L89-L112 HydrophobicContact CD1-CD2 3.87Å; L89-L112 HydrophobicContact CD2-CD2 4.35Å; L89-F115 HydrophobicContact CB-CD1 4.21Å; L89-F115 HydrophobicContact CB-CD2 3.85Å; L89-F115 HydrophobicContact CB-CE1 4.04Å; L89-F115 HydrophobicContact CB-CE2 3.69Å; L89-F115 HydrophobicContact CB-CG 4.11Å; L89-F115 HydrophobicContact CB-CZ 3.79Å; L89-F115 HydrophobicContact CD1-CB 4.17Å; L89-F115 HydrophobicContact CD1-CD1 4.21Å; L89-F115 HydrophobicContact CD1-CD2 4.45Å; L89-F115 HydrophobicContact CD1-CG 4.03Å; L89-F115 HydrophobicContact CD2-CD1 4.3Å; L89-F115 HydrophobicContact CD2-CE1 4.21Å; L89-F115 HydrophobicContact CG-CD1 4.49Å; L89-F115 WeakPolarHBondContact O-CZ 3.42Å
90A96.8Very high96.3Very high58 Ų5846.4 Ų46.448%0.47922%0.22SC..Hα-helixtrans-61.6-38.5179.700000112.9F86F86-A90 WeakPolarHBondContact O-CB 3.46Å; F86-A90 PolarHBondContact O-N 3.47Å
91R96.7Very high96.3Very high169 Ų16944.8 Ų44.864%0.63821%0.214SC*.Hα-helixtrans-76.8-44.6-178.7-172.9170.5177.4910.1112.5C87 H88 L89 R94C87-R91 VanDerWaalsContact O-CB 3.26Å; C87-R91 WeakPolarHBondContact O-CB 3.27Å; C87-R91 PolarHBondContact O-N 2.95Å; H88-R91 PolarHBondContact O-N 3.47Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.47Å; R91-R94 PolarHBondContact O-NH2 3.07Å
92Y95.9Very high96.3Very high88 Ų8844.2 Ų44.235%0.34521%0.21SC..Hα-helixtrans-113.8-24.2-164.1-60.2-67.5000115.4L55 H88 R94L55-Y92 HydrophobicContact CD1-CD1 3.9Å; L55-Y92 HydrophobicContact CD1-CD2 4.42Å; L55-Y92 HydrophobicContact CD1-CG 3.75Å; H88-Y92 AromaticContact CE1-CD2 3.68Å; H88-Y92 AromaticContact ND1-CD2 3.44Å; H88-Y92 WeakPolarHBondContact ND1-CD2 3.26Å; H88-Y92 AromaticContact ND1-CE2 3.85Å; H88-Y92 WeakPolarHBondContact O-CB 3.47Å; H88-Y92 WeakPolarHBondContact O-CD2 3.41Å; H88-Y92 PolarHBondContact O-N 3.25Å; Y92-R94 PolarHBondContact O-N 2.94Å
93C95.6Very high96.1Very high7 Ų745 Ų455%0.04721%0.214CC..  trans-77.792.3-173.5-169.50000112.2H8 L89 F115 K121H8-C93 WeakPolarHBondContact ND1-CA 3.32Å; L89-C93 HydrophobicContact CB-CB 4.45Å; L89-C93 HydrophobicContact CD2-CB 3.98Å; L89-C93 WeakPolarHBondContact O-CA 3.47Å; L89-C93 WeakPolarHBondContact O-CB 3.47Å; L89-C93 PolarHBondContact O-N 2.88Å; C93-F115 HydrophobicContact CB-CE1 3.95Å; C93-F115 HydrophobicContact CB-CZ 3.93Å; C93-K121 VanDerWaalsContact O-CE 3.29Å; C93-K121 WeakPolarHBondContact O-CE 3.28Å; C93-K121 PolarHBondContact O-NZ 3.28Å
94R93.5Very high96Very high195 Ų19541.9 Ų41.974%0.73620%0.2SC*.  trans-95.7-24.8175.2-55.8-57.6172157.3-6112.8R91 Y92 K121R91-R94 PolarHBondContact O-NH2 3.07Å; Y92-R94 PolarHBondContact O-N 2.94Å; R94-K121 VanDerWaalsContact C-NZ 3.35Å; R94-K121 PolarHBondContact O-NZ 3.21Å
95S94.3Very high95.8Very high6 Ų641.2 Ų41.24%0.04219%0.194CC..  trans-59.9148.1-177.4-49.90000114.5T6 A7 H8 K121T6-S95 WeakPolarHBondContact OG1-CA 3.3Å; A7-S95 PolarHBondContact O-OG 3.02Å; A7-S95 VanDerWaalsContact O-OG 3.08Å; H8-S95 PolarHBondContact N-OG 3.09Å; S95-K121 WeakPolarHBondContact O-CD 3.47Å; S95-K121 PolarHBondContact O-NZ 3.06Å
96R93.6Very high95.6Very high86 Ų8642.5 Ų42.533%0.32520%0.202SC..SBendtrans-73.4-33.7177.8-69.5-177.968.5149.8-4.3112.5D4 T6 N122D4-R96 IonicContact OD1-CZ 3.42Å; D4-R96 IonicContact OD1-NH1 2.9Å; D4-R96 PolarHBondContact OD1-NH1 3.31Å; D4-R96 IonicContact OD2-CZ 3.76Å; D4-R96 IonicContact OD2-NH1 3.03Å; D4-R96 PolarHBondContact OD2-NH1 3.2Å; T6-R96 PolarHBondContact O-N 3.14Å; T6-R96 PolarHBondContact OG1-N 3Å; R96-N122 PolarHBondContact O-N 3.4Å
97L96.7Very high95.4Very high0 Ų039.4 Ų39.40%019%0.189CC..EExtended strand (participates in β ladder)trans-106.8133.6178.2-17665.1000110.6T6 A7 H8 W33 V99 N122 V124 Y457 A460 I461T6-L97 PolarHBondContact O-N 3.34Å; A7-L97 CarbonylContact C-O 3.55Å; A7-L97 WeakPolarHBondContact CA-O 3.47Å; H8-L97 PolarHBondContact N-O 2.97Å; W33-L97 HydrophobicContact CH2-CD2 3.89Å; W33-L97 HydrophobicContact CZ3-CB 4.13Å; W33-L97 HydrophobicContact CZ3-CD2 3.79Å; L97-V99 HydrophobicContact CD2-CG2 4.03Å; L97-V99 HydrophobicContact CG-CG2 4.11Å; L97-N122 HydrophobicContact CD1-CB 4.01Å; L97-V124 HydrophobicContact CD1-CG2 3.85Å; L97-Y457 HydrophobicContact CD2-CG 4.29Å; L97-A460 HydrophobicContact CD1-CB 4.05Å; L97-I461 HydrophobicContact CB-CG2 3.96Å; L97-I461 HydrophobicContact CD1-CG2 4.47Å
98I97.9Very high95.4Very high0 Ų035.8 Ų35.80%017%0.165CC..EExtended strand (participates in β ladder)trans-107.2132.8167-56.8172.6000107.4H8 I10 L89 L112 F115 I116 K121 N122 L123 V124H8-I98 CarbonylContact O-C 3.23Å; H8-I98 WeakPolarHBondContact O-CA 3.1Å; I10-I98 HydrophobicContact CD1-CG2 3.92Å; I10-I98 HydrophobicContact CG1-CG2 4.47Å; L89-I98 HydrophobicContact CD2-CD1 4.41Å; I98-L112 HydrophobicContact CD1-CD2 4.38Å; I98-L112 HydrophobicContact CG2-CD2 3.98Å; I98-F115 HydrophobicContact CD1-CD1 3.73Å; I98-F115 HydrophobicContact CD1-CE1 3.88Å; I98-I116 HydrophobicContact CD1-CG2 4.18Å; I98-K121 HydrophobicContact CD1-CB 4.5Å; I98-K121 HydrophobicContact CD1-CD 4.24Å; I98-N122 PolarHBondContact N-O 3.01Å; I98-L123 HydrophobicContact CB-CD1 3.98Å; I98-L123 HydrophobicContact CG2-CD1 3.87Å; I98-L123 CarbonylContact O-C 3.55Å; I98-L123 WeakPolarHBondContact O-CA 3.48Å; I98-V124 PolarHBondContact O-N 3.32Å
99V97.9Very high95.4Very high0 Ų035.4 Ų35.40%016%0.163CC..EExtended strand (participates in β ladder)trans-117.9127.8173-174.90000107.6H8 V9 I10 I21 L28 L97 V124H8-V99 PolarHBondContact O-N 2.66Å; V9-V99 CarbonylContact C-O 3.6Å; V9-V99 WeakPolarHBondContact CA-O 3.42Å; V9-V99 HydrophobicContact CG1-CB 4.49Å; V9-V99 HydrophobicContact CG2-CB 4.26Å; I10-V99 PolarHBondContact N-O 3.41Å; I21-V99 HydrophobicContact CD1-CG1 4.24Å; L28-V99 HydrophobicContact CD1-CG2 4.41Å; L97-V99 HydrophobicContact CD2-CG2 4.03Å; L97-V99 HydrophobicContact CG-CG2 4.11Å; V99-V124 CarbonylContact C-O 3.55Å; V99-V124 WeakPolarHBondContact CA-O 3.25Å; V99-V124 HydrophobicContact CG1-CB 4.49Å; V99-V124 HydrophobicContact CG1-CG1 4.45Å; V99-V124 HydrophobicContact CG2-CB 4.37Å
100V97.4Very high95.3Very high1 Ų140 Ų401%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-127.6138.4-179.470.10000111.7I10 T108 L112 L123 V124 I125 D126I10-V100 WeakPolarHBondContact O-CA 3.15Å; V100-T108 HydrophobicContact CG2-CG2 3.78Å; V100-L112 HydrophobicContact CB-CD1 3.81Å; V100-L112 HydrophobicContact CG1-CD1 3.64Å; V100-L112 HydrophobicContact CG2-CD1 3.88Å; V100-L123 HydrophobicContact CG1-CD1 3.96Å; V100-V124 PolarHBondContact N-O 3.07Å; V100-I125 HydrophobicContact CG1-CB 4.25Å; V100-I125 HydrophobicContact CG1-CG1 4.06Å; V100-I125 HydrophobicContact CG1-CG2 4.09Å; V100-D126 PolarHBondContact O-N 3.4Å
101Q95.7Very high95.3Very high29 Ų2937.7 Ų37.714%0.13616%0.163CC..EExtended strand (participates in β ladder)trans-86.5128.6170.1-167.1-177.7-20.600110.5I10 V11 I21 H128I10-Q101 PolarHBondContact O-N 2.85Å; V11-Q101 HydrophobicContact CG2-CB 4.24Å; I21-Q101 HydrophobicContact CB-CB 4.22Å; I21-Q101 VanDerWaalsContact CB-OE1 3.24Å; I21-Q101 HydrophobicContact CD1-CB 4.12Å; I21-Q101 HydrophobicContact CG1-CB 4.17Å; I21-Q101 VanDerWaalsContact CG2-OE1 3.31Å; Q101-H128 WeakPolarHBondContact CG-CD2 3.34Å
102N94.2Very high95.3Very high0 Ų029.7 Ų29.70%013%0.132CC..EExtended strand (participates in β ladder)trans-108.4132.2168.9-172.956.8000109.8A105 F109 I125 D126 W127 H128 N129 E153N102-A105 VanDerWaalsContact OD1-CA 3.28Å; N102-A105 WeakPolarHBondContact OD1-CA 3.33Å; N102-A105 VanDerWaalsContact OD1-CB 3.23Å; N102-A105 WeakPolarHBondContact OD1-CB 3.4Å; N102-A105 PolarHBondContact OD1-N 3.35Å; N102-F109 HydrophobicContact CB-CE1 4.08Å; N102-F109 HydrophobicContact CB-CZ 3.94Å; N102-I125 HydrophobicContact CB-CG2 4.06Å; N102-D126 PolarHBondContact N-O 3.01Å; N102-W127 HydrophobicContact CB-CE3 4.5Å; N102-W127 WeakPolarHBondContact ND2-CZ3 3.07Å; N102-H128 VanDerWaalsContact O-CB 3.31Å; N102-H128 WeakPolarHBondContact O-CB 3.42Å; N102-H128 PolarHBondContact O-N 2.89Å; N102-N129 PolarHBondContact ND2-O 2.99Å; N102-E153 PolarHBondContact ND2-OE1 2.96Å
103P92.9Very high95.4Very high29 Ų2927.5 Ų27.519%0.18812%0.124CC..SBendcis-80.8166.43.330-32.1000115.8L134P103-L134 HydrophobicContact CB-CD1 4.25Å; P103-L134 HydrophobicContact CG-CD1 3.56Å
104P92.8Very high95.5Very high40 Ų4029.8 Ų29.826%0.2614%0.135SC..  cis-89.1137.32.534.2-33.3000113.8L12 T108L12-P104 HydrophobicContact CB-CG 3.79Å; L12-P104 HydrophobicContact CD1-CG 4.47Å; P104-T108 VanDerWaalsContact O-CB 3.23Å; P104-T108 WeakPolarHBondContact O-CB 3.35Å; P104-T108 PolarHBondContact O-OG1 3.47Å
105A93.2Very high95.6Very high0 Ų021 Ų210%010%0.102CC..  trans-79.5-28.1174.900000113.4N102 P107 T108 F109 Y149 E153N102-A105 VanDerWaalsContact OD1-CA 3.28Å; N102-A105 WeakPolarHBondContact OD1-CA 3.33Å; N102-A105 VanDerWaalsContact OD1-CB 3.23Å; N102-A105 WeakPolarHBondContact OD1-CB 3.4Å; N102-A105 PolarHBondContact OD1-N 3.35Å; A105-P107 CarbonylContact O-C 3.5Å; A105-T108 CarbonylContact O-C 3.5Å; A105-T108 WeakPolarHBondContact O-CA 3.43Å; A105-T108 WeakPolarHBondContact O-CB 3.46Å; A105-T108 PolarHBondContact O-N 2.81Å; A105-F109 HydrophobicContact CB-CD1 4.21Å; A105-F109 HydrophobicContact CB-CD2 3.73Å; A105-F109 HydrophobicContact CB-CE1 4.13Å; A105-F109 HydrophobicContact CB-CE2 3.62Å; A105-F109 HydrophobicContact CB-CG 4.03Å; A105-F109 HydrophobicContact CB-CZ 3.85Å; A105-F109 PolarHBondContact O-N 2.71Å; A105-Y149 HydrophobicContact CB-CE1 4.49Å; A105-E153 HydrophobicContact CB-CB 3.65Å; A105-E153 HydrophobicContact CB-CG 3.44Å; A105-E153 VanDerWaalsContact CB-CG 3.44Å
106V92.8Very high95.7Very high28 Ų2820.8 Ų20.817%0.1710%0.1CC..THydrogen-bonded Turntrans-111117.1-169.8-174.10000109.4F78 Y149 L152F78-V106 HydrophobicContact CD2-CG1 3.73Å; F78-V106 HydrophobicContact CE2-CG1 3.63Å; V106-Y149 HydrophobicContact CB-CD2 4.39Å; V106-Y149 HydrophobicContact CB-CE2 3.91Å; V106-Y149 HydrophobicContact CG2-CD1 3.99Å; V106-Y149 HydrophobicContact CG2-CD2 4.12Å; V106-Y149 HydrophobicContact CG2-CE1 3.76Å; V106-Y149 HydrophobicContact CG2-CE2 3.91Å; V106-Y149 HydrophobicContact CG2-CG 4.18Å; V106-L152 HydrophobicContact CG1-CB 4.3Å; V106-L152 HydrophobicContact CG1-CD1 3.82Å; V106-L152 HydrophobicContact CG2-CB 3.61Å
107P94Very high95.8Very high6 Ų622.8 Ų22.84%0.03911%0.111CC..THydrogen-bonded Turncis-88.83.35.135.4-36.3000115.6F78 T81 A82 A105 F109 F110 I111F78-P107 HydrophobicContact CD2-CB 3.84Å; F78-P107 HydrophobicContact CD2-CG 4.46Å; F78-P107 HydrophobicContact CE2-CB 3.52Å; F78-P107 HydrophobicContact CZ-CB 3.92Å; T81-P107 HydrophobicContact CG2-CG 3.87Å; A82-P107 HydrophobicContact CB-CB 3.91Å; A82-P107 HydrophobicContact CB-CG 3.84Å; A105-P107 CarbonylContact O-C 3.5Å; P107-F109 PolarHBondContact O-N 2.98Å; P107-F110 PolarHBondContact O-N 2.81Å; P107-I111 HydrophobicContact CB-CG1 4.41Å; P107-I111 PolarHBondContact O-N 2.92Å
108T96.3Very high95.7Very high2 Ų228.2 Ų28.21%0.01214%0.139CC..Hα-helixtrans-45.4-51.1-169.3-44.20000115L12 L85 V100 P104 A105 F110 I111 L112L12-T108 HydrophobicContact CD1-CG2 4.42Å; L12-T108 WeakPolarHBondContact CD1-OG1 3.5Å; L85-T108 HydrophobicContact CD2-CG2 4.12Å; V100-T108 HydrophobicContact CG2-CG2 3.78Å; P104-T108 VanDerWaalsContact O-CB 3.23Å; P104-T108 WeakPolarHBondContact O-CB 3.35Å; P104-T108 PolarHBondContact O-OG1 3.47Å; A105-T108 CarbonylContact O-C 3.5Å; A105-T108 WeakPolarHBondContact O-CA 3.43Å; A105-T108 WeakPolarHBondContact O-CB 3.46Å; A105-T108 PolarHBondContact O-N 2.81Å; T108-F110 PolarHBondContact O-N 2.97Å; T108-I111 PolarHBondContact O-N 2.82Å; T108-L112 HydrophobicContact CG2-CD1 3.77Å; T108-L112 HydrophobicContact CG2-CG 4.38Å; T108-L112 WeakPolarHBondContact O-CB 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.34Å; T108-L112 PolarHBondContact O-N 3.27Å
109F96.9Very high95.6Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-64.1-43-176.1-751.6000112.5N102 A105 P107 I111 L112 W113 I125 W127 E153 F156 A157 M161N102-F109 HydrophobicContact CB-CE1 4.08Å; N102-F109 HydrophobicContact CB-CZ 3.94Å; A105-F109 HydrophobicContact CB-CD1 4.21Å; A105-F109 HydrophobicContact CB-CD2 3.73Å; A105-F109 HydrophobicContact CB-CE1 4.13Å; A105-F109 HydrophobicContact CB-CE2 3.62Å; A105-F109 HydrophobicContact CB-CG 4.03Å; A105-F109 HydrophobicContact CB-CZ 3.85Å; A105-F109 PolarHBondContact O-N 2.71Å; P107-F109 PolarHBondContact O-N 2.98Å; F109-I111 VanDerWaalsContact C-N 3.35Å; F109-I111 PolarHBondContact O-N 3.49Å; F109-L112 PolarHBondContact O-N 2.97Å; F109-W113 WeakPolarHBondContact O-CB 3.05Å; F109-W113 PolarHBondContact O-N 2.87Å; F109-I125 HydrophobicContact CE1-CD1 4.19Å; F109-I125 HydrophobicContact CE1-CG2 3.81Å; F109-I125 HydrophobicContact CZ-CD1 4.37Å; F109-I125 HydrophobicContact CZ-CG2 3.95Å; F109-W127 AromaticContact CE2-CH2 3.37Å; F109-W127 HydrophobicContact CE2-CH2 3.37Å; F109-W127 AromaticContact CE2-CZ2 3.79Å; F109-W127 HydrophobicContact CE2-CZ2 3.79Å; F109-W127 HydrophobicContact CE2-CZ3 4.05Å; F109-W127 AromaticContact CZ-CH2 3.58Å; F109-W127 HydrophobicContact CZ-CH2 3.58Å; F109-W127 AromaticContact CZ-CZ2 3.7Å; F109-W127 HydrophobicContact CZ-CZ2 3.7Å; F109-W127 HydrophobicContact CZ-CZ3 4.05Å; F109-E153 HydrophobicContact CE2-CG 4.11Å; F109-F156 HydrophobicContact CB-CD1 3.98Å; F109-F156 HydrophobicContact CB-CE1 4.19Å; F109-A157 HydrophobicContact CD2-CB 4.28Å; F109-A157 HydrophobicContact CE2-CB 4.16Å; F109-M161 HydrophobicContact CB-SD 3.88Å; F109-M161 HydrophobicContact CD1-SD 4.45Å; F109-M161 HydrophobicContact CD2-SD 4.04Å; F109-M161 HydrophobicContact CG-SD 3.88Å
110F96Very high95.4Very high95 Ų9532.4 Ų32.442%0.41717%0.171SC..Hα-helixtrans-61.4-45.9177.9176.4-102.8000111.3P107 T108 W113 L114 F156P107-F110 PolarHBondContact O-N 2.81Å; T108-F110 PolarHBondContact O-N 2.97Å; F110-W113 HydrophobicContact CD2-CE3 4.42Å; F110-W113 HydrophobicContact CE2-CE3 4.42Å; F110-W113 HydrophobicContact CE2-CZ3 4.27Å; F110-W113 PolarHBondContact O-N 2.67Å; F110-L114 WeakPolarHBondContact O-CB 3.35Å; F110-L114 PolarHBondContact O-N 3.33Å; F110-F156 HydrophobicContact CB-CZ 4.27Å; F110-F156 AromaticContact CD2-CE2 3.88Å; F110-F156 HydrophobicContact CD2-CE2 3.88Å; F110-F156 AromaticContact CD2-CZ 3.94Å; F110-F156 HydrophobicContact CD2-CZ 3.94Å
111I97.4Very high95.2Very high11 Ų1133.9 Ų33.96%0.05618%0.177CC..Hα-helixtrans-67.5-42.9-179.3-62.2-58.6000111.6A82 L85 F86 L89 P107 T108 F109 L114 F115A82-I111 HydrophobicContact CB-CD1 3.97Å; A82-I111 HydrophobicContact CB-CG1 4.11Å; L85-I111 HydrophobicContact CB-CG2 4.27Å; L85-I111 HydrophobicContact CD2-CB 3.97Å; L85-I111 HydrophobicContact CD2-CG2 3.87Å; L85-I111 HydrophobicContact CG-CB 4.45Å; L85-I111 HydrophobicContact CG-CG2 3.81Å; F86-I111 HydrophobicContact CB-CG2 3.94Å; F86-I111 HydrophobicContact CD2-CG2 4.24Å; L89-I111 HydrophobicContact CD1-CG2 3.97Å; P107-I111 HydrophobicContact CB-CG1 4.41Å; P107-I111 PolarHBondContact O-N 2.92Å; T108-I111 PolarHBondContact O-N 2.82Å; F109-I111 VanDerWaalsContact C-N 3.35Å; F109-I111 PolarHBondContact O-N 3.49Å; I111-L114 PolarHBondContact O-N 3.46Å; I111-F115 VanDerWaalsContact O-CB 3.23Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.34Å
112L97.4Very high95.3Very high0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-65.5-44.6176.5-72.8174.6000111.7L89 I98 V100 T108 F109 L114 F115 I116 L123L89-L112 HydrophobicContact CD1-CD2 3.87Å; L89-L112 HydrophobicContact CD2-CD2 4.35Å; I98-L112 HydrophobicContact CD1-CD2 4.38Å; I98-L112 HydrophobicContact CG2-CD2 3.98Å; V100-L112 HydrophobicContact CB-CD1 3.81Å; V100-L112 HydrophobicContact CG1-CD1 3.64Å; V100-L112 HydrophobicContact CG2-CD1 3.88Å; T108-L112 HydrophobicContact CG2-CD1 3.77Å; T108-L112 HydrophobicContact CG2-CG 4.38Å; T108-L112 WeakPolarHBondContact O-CB 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.34Å; T108-L112 PolarHBondContact O-N 3.27Å; F109-L112 PolarHBondContact O-N 2.97Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L112-L114 PolarHBondContact O-N 3.49Å; L112-F115 PolarHBondContact O-N 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.45Å; L112-I116 WeakPolarHBondContact O-CG2 3.25Å; L112-I116 PolarHBondContact O-N 2.83Å; L112-L123 HydrophobicContact CB-CD2 4.05Å; L112-L123 HydrophobicContact CD1-CD1 3.98Å; L112-L123 HydrophobicContact CD1-CD2 4.41Å
113W97.1Very high95.4Very high43 Ų4332.7 Ų32.716%0.16317%0.172CC..Hα-helixtrans-56.7-47.4175.6171.380.1000111.8F109 F110 I116 K117 F156 F160F109-W113 WeakPolarHBondContact O-CB 3.05Å; F109-W113 PolarHBondContact O-N 2.87Å; F110-W113 HydrophobicContact CD2-CE3 4.42Å; F110-W113 HydrophobicContact CE2-CE3 4.42Å; F110-W113 HydrophobicContact CE2-CZ3 4.27Å; F110-W113 PolarHBondContact O-N 2.67Å; W113-I116 WeakPolarHBondContact O-CG1 3.49Å; W113-K117 HydrophobicContact CH2-CD 4.42Å; W113-K117 HydrophobicContact CZ2-CD 4.13Å; W113-K117 VanDerWaalsContact O-CB 3.28Å; W113-K117 WeakPolarHBondContact O-CB 3.23Å; W113-K117 PolarHBondContact O-N 3.26Å; W113-K117 VanDerWaalsContact O-N 3.09Å; W113-F156 HydrophobicContact CB-CE1 3.84Å; W113-F156 HydrophobicContact CB-CZ 3.93Å; W113-F156 AromaticContact CD2-CZ 3.91Å; W113-F156 HydrophobicContact CD2-CZ 3.91Å; W113-F156 AromaticContact CE3-CZ 3.98Å; W113-F156 HydrophobicContact CE3-CZ 3.98Å; W113-F156 HydrophobicContact CG-CE1 4.13Å; W113-F156 AromaticContact CG-CZ 3.89Å; W113-F156 HydrophobicContact CG-CZ 3.89Å; W113-F160 HydrophobicContact CZ2-CD1 4.35Å
114L96.7Very high95.6Very high54 Ų5431.3 Ų31.328%0.28316%0.163SC..Hα-helixtrans-62.2-46.3176.3-179.662000111.1F86 F110 I111 L112 K117 I118F86-L114 HydrophobicContact CE2-CD2 4.26Å; F110-L114 WeakPolarHBondContact O-CB 3.35Å; F110-L114 PolarHBondContact O-N 3.33Å; I111-L114 PolarHBondContact O-N 3.46Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L112-L114 PolarHBondContact O-N 3.49Å; L114-K117 PolarHBondContact O-N 2.8Å; L114-I118 HydrophobicContact CD1-CD1 3.94Å; L114-I118 HydrophobicContact CD1-CG1 4.41Å; L114-I118 HydrophobicContact CG-CD1 3.88Å; L114-I118 VanDerWaalsContact O-CG1 3.3Å; L114-I118 WeakPolarHBondContact O-CG1 3.46Å; L114-I118 PolarHBondContact O-N 3Å
115F97.2Very high95.9Very high12 Ų1229.4 Ų29.45%0.05315%0.15CC..Hα-helixtrans-63.8-44.8-177.6-172.5-104.6000112.7L89 C93 I98 I111 L112 K117 I118 T119 K121L89-F115 HydrophobicContact CB-CD1 4.21Å; L89-F115 HydrophobicContact CB-CD2 3.85Å; L89-F115 HydrophobicContact CB-CE1 4.04Å; L89-F115 HydrophobicContact CB-CE2 3.69Å; L89-F115 HydrophobicContact CB-CG 4.11Å; L89-F115 HydrophobicContact CB-CZ 3.79Å; L89-F115 HydrophobicContact CD1-CB 4.17Å; L89-F115 HydrophobicContact CD1-CD1 4.21Å; L89-F115 HydrophobicContact CD1-CD2 4.45Å; L89-F115 HydrophobicContact CD1-CG 4.03Å; L89-F115 HydrophobicContact CD2-CD1 4.3Å; L89-F115 HydrophobicContact CD2-CE1 4.21Å; L89-F115 HydrophobicContact CG-CD1 4.49Å; L89-F115 WeakPolarHBondContact O-CZ 3.42Å; C93-F115 HydrophobicContact CB-CE1 3.95Å; C93-F115 HydrophobicContact CB-CZ 3.93Å; I98-F115 HydrophobicContact CD1-CD1 3.73Å; I98-F115 HydrophobicContact CD1-CE1 3.88Å; I111-F115 VanDerWaalsContact O-CB 3.23Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.34Å; L112-F115 PolarHBondContact O-N 3.27Å; F115-K117 VanDerWaalsContact C-N 3.32Å; F115-K117 PolarHBondContact O-N 3.43Å; F115-I118 PolarHBondContact O-N 2.98Å; F115-T119 HydrophobicContact CD1-CG2 4.43Å; F115-T119 HydrophobicContact CD2-CG2 4.19Å; F115-T119 HydrophobicContact CE1-CG2 4.12Å; F115-T119 HydrophobicContact CE2-CG2 3.84Å; F115-T119 HydrophobicContact CG-CG2 4.47Å; F115-T119 HydrophobicContact CZ-CG2 3.8Å; F115-T119 WeakPolarHBondContact O-CB 3.41Å; F115-T119 WeakPolarHBondContact O-CG2 3.21Å; F115-T119 PolarHBondContact O-N 2.87Å; F115-T119 PolarHBondContact O-OG1 3.48Å; F115-K121 HydrophobicContact CE1-CD 3.74Å; F115-K121 HydrophobicContact CZ-CD 4.46Å
116I96.2Very high96.1Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-69.7-30.5177.567.4177.2000112.4I98 L112 W113 G120 K121 L123 M164 V168I98-I116 HydrophobicContact CD1-CG2 4.18Å; L112-I116 WeakPolarHBondContact O-CG1 3.45Å; L112-I116 WeakPolarHBondContact O-CG2 3.25Å; L112-I116 PolarHBondContact O-N 2.83Å; W113-I116 WeakPolarHBondContact O-CG1 3.49Å; I116-G120 WeakPolarHBondContact O-CA 3.4Å; I116-G120 PolarHBondContact O-N 3.42Å; I116-K121 WeakPolarHBondContact CB-O 3.48Å; I116-K121 HydrophobicContact CG2-CB 4.44Å; I116-L123 HydrophobicContact CD1-CB 4.15Å; I116-L123 HydrophobicContact CD1-CD2 4.24Å; I116-L123 HydrophobicContact CG2-CB 4.19Å; I116-M164 HydrophobicContact CD1-CE 3.83Å; I116-M164 HydrophobicContact CD1-SD 4.38Å; I116-M164 HydrophobicContact CG1-CE 3.88Å; I116-V168 HydrophobicContact CD1-CG2 3.57Å
117K94.9Very high96.3Very high128 Ų12828 Ų2856%0.55714%0.142SC*.Hα-helixtrans-66.3-39.5174.4-172.1177.4-179-178.40111.4W113 L114 F115W113-K117 HydrophobicContact CH2-CD 4.42Å; W113-K117 HydrophobicContact CZ2-CD 4.13Å; W113-K117 VanDerWaalsContact O-CB 3.28Å; W113-K117 WeakPolarHBondContact O-CB 3.23Å; W113-K117 PolarHBondContact O-N 3.26Å; W113-K117 VanDerWaalsContact O-N 3.09Å; L114-K117 PolarHBondContact O-N 2.8Å; F115-K117 VanDerWaalsContact C-N 3.32Å; F115-K117 PolarHBondContact O-N 3.43Å
118I95.2Very high96.2Very high114 Ų11428.9 Ų28.959%0.58515%0.146SC*.Hα-helixtrans-73.1-44.4177.3-65.8165.4000111.5F86 L114 F115F86-I118 HydrophobicContact CE2-CD1 4.5Å; L114-I118 HydrophobicContact CD1-CD1 3.94Å; L114-I118 HydrophobicContact CD1-CG1 4.41Å; L114-I118 HydrophobicContact CG-CD1 3.88Å; L114-I118 VanDerWaalsContact O-CG1 3.3Å; L114-I118 WeakPolarHBondContact O-CG1 3.46Å; L114-I118 PolarHBondContact O-N 3Å; F115-I118 PolarHBondContact O-N 2.98Å
119T94.9Very high96Very high59 Ų5929.1 Ų29.136%0.36215%0.147SC..Hα-helixtrans-95.2-14.7-168.759.50000114.8F115 K121F115-T119 HydrophobicContact CD1-CG2 4.43Å; F115-T119 HydrophobicContact CD2-CG2 4.19Å; F115-T119 HydrophobicContact CE1-CG2 4.12Å; F115-T119 HydrophobicContact CE2-CG2 3.84Å; F115-T119 HydrophobicContact CG-CG2 4.47Å; F115-T119 HydrophobicContact CZ-CG2 3.8Å; F115-T119 WeakPolarHBondContact O-CB 3.41Å; F115-T119 WeakPolarHBondContact O-CG2 3.21Å; F115-T119 PolarHBondContact O-N 2.87Å; F115-T119 PolarHBondContact O-OG1 3.48Å; T119-K121 PolarHBondContact O-N 2.87Å; T119-K121 WeakPolarHBondContact OG1-CD 3.37Å; T119-K121 WeakPolarHBondContact OG1-CG 3.4Å
120G93.3Very high95.9Very high30 Ų3029.1 Ų29.131%0.30915%0.147SC..  trans71.210.4-174.400000114.8I116I116-G120 WeakPolarHBondContact O-CA 3.4Å; I116-G120 PolarHBondContact O-N 3.42Å
121K94.8Very high95.8Very high32 Ų3224.7 Ų24.714%0.13913%0.128CC..  trans-70.6163.1177.3-67.3174.5-174.4-65.40111.9C93 R94 S95 I98 F115 I116 T119C93-K121 VanDerWaalsContact O-CE 3.29Å; C93-K121 WeakPolarHBondContact O-CE 3.28Å; C93-K121 PolarHBondContact O-NZ 3.28Å; R94-K121 VanDerWaalsContact C-NZ 3.35Å; R94-K121 PolarHBondContact O-NZ 3.21Å; S95-K121 WeakPolarHBondContact O-CD 3.47Å; S95-K121 PolarHBondContact O-NZ 3.06Å; I98-K121 HydrophobicContact CD1-CB 4.5Å; I98-K121 HydrophobicContact CD1-CD 4.24Å; F115-K121 HydrophobicContact CE1-CD 3.74Å; F115-K121 HydrophobicContact CZ-CD 4.46Å; I116-K121 WeakPolarHBondContact CB-O 3.48Å; I116-K121 HydrophobicContact CG2-CB 4.44Å; T119-K121 PolarHBondContact O-N 2.87Å; T119-K121 WeakPolarHBondContact OG1-CD 3.37Å; T119-K121 WeakPolarHBondContact OG1-CG 3.4Å
122N96.3Very high95.5Very high3 Ų326 Ų262%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-99.8152.7176.9-56.4-56.5000110.8R96 L97 I98 R167 A460R96-N122 PolarHBondContact O-N 3.4Å; L97-N122 HydrophobicContact CD1-CB 4.01Å; I98-N122 PolarHBondContact N-O 3.01Å; N122-R167 CarbonylContact C-O 3.59Å; N122-R167 WeakPolarHBondContact CA-O 3.49Å; N122-A460 HydrophobicContact CB-CB 4.35Å; N122-A460 WeakPolarHBondContact CB-O 3.24Å; N122-A460 PolarHBondContact ND2-O 2.93Å; N122-A460 PolarHBondContact OD1-O 3.42Å
123L97.5Very high95.2Very high0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-130.7132.1-176.9177.163.9000110.6I98 V100 L112 I116 I125 M161 R167 V168 A169I98-L123 HydrophobicContact CB-CD1 3.98Å; I98-L123 HydrophobicContact CG2-CD1 3.87Å; I98-L123 CarbonylContact O-C 3.55Å; I98-L123 WeakPolarHBondContact O-CA 3.48Å; V100-L123 HydrophobicContact CG1-CD1 3.96Å; L112-L123 HydrophobicContact CB-CD2 4.05Å; L112-L123 HydrophobicContact CD1-CD1 3.98Å; L112-L123 HydrophobicContact CD1-CD2 4.41Å; I116-L123 HydrophobicContact CD1-CB 4.15Å; I116-L123 HydrophobicContact CD1-CD2 4.24Å; I116-L123 HydrophobicContact CG2-CB 4.19Å; L123-I125 HydrophobicContact CD2-CD1 4.28Å; L123-I125 HydrophobicContact CD2-CG1 4.01Å; L123-I125 HydrophobicContact CG-CG1 4.02Å; L123-M161 HydrophobicContact CD2-CE 3.33Å; L123-R167 PolarHBondContact N-O 3.1Å; L123-V168 HydrophobicContact CB-CG2 4.39Å; L123-V168 HydrophobicContact CD2-CG1 4.48Å; L123-V168 CarbonylContact O-C 3.57Å; L123-V168 VanDerWaalsContact O-CA 3.3Å; L123-V168 WeakPolarHBondContact O-CA 3.3Å; L123-A169 PolarHBondContact O-N 2.99Å
124V97.7Very high94.7Very high0 Ų027.4 Ų27.40%014%0.143CC..EExtended strand (participates in β ladder)trans-113.8126.2164.8172.80000108.5L97 I98 V99 V100 A169 V171 Y457 A460L97-V124 HydrophobicContact CD1-CG2 3.85Å; I98-V124 PolarHBondContact O-N 3.32Å; V99-V124 CarbonylContact C-O 3.55Å; V99-V124 WeakPolarHBondContact CA-O 3.25Å; V99-V124 HydrophobicContact CG1-CB 4.49Å; V99-V124 HydrophobicContact CG1-CG1 4.45Å; V99-V124 HydrophobicContact CG2-CB 4.37Å; V100-V124 PolarHBondContact N-O 3.07Å; V124-A169 CarbonylContact C-O 3.6Å; V124-A169 VanDerWaalsContact CA-O 3.3Å; V124-A169 WeakPolarHBondContact CA-O 3.04Å; V124-A169 HydrophobicContact CG2-CB 4.16Å; V124-V171 HydrophobicContact CG1-CG2 4.3Å; V124-Y457 HydrophobicContact CB-CD1 4.43Å; V124-Y457 HydrophobicContact CB-CE1 4.48Å; V124-Y457 HydrophobicContact CG1-CD1 3.98Å; V124-Y457 HydrophobicContact CG1-CE1 3.64Å; V124-Y457 HydrophobicContact CG2-CD1 3.91Å; V124-Y457 HydrophobicContact CG2-CE1 4.41Å; V124-A460 HydrophobicContact CG2-CB 4.26Å
125I97.6Very high94.2Very high0 Ų026.1 Ų26.10%014%0.138CC..EExtended strand (participates in β ladder)trans-103.9123.2174.4-48.1175.3000108.4V100 N102 F109 L123 W127 M161 V168 A169 N170 V171V100-I125 HydrophobicContact CG1-CB 4.25Å; V100-I125 HydrophobicContact CG1-CG1 4.06Å; V100-I125 HydrophobicContact CG1-CG2 4.09Å; N102-I125 HydrophobicContact CB-CG2 4.06Å; F109-I125 HydrophobicContact CE1-CD1 4.19Å; F109-I125 HydrophobicContact CE1-CG2 3.81Å; F109-I125 HydrophobicContact CZ-CD1 4.37Å; F109-I125 HydrophobicContact CZ-CG2 3.95Å; L123-I125 HydrophobicContact CD2-CD1 4.28Å; L123-I125 HydrophobicContact CD2-CG1 4.01Å; L123-I125 HydrophobicContact CG-CG1 4.02Å; I125-W127 HydrophobicContact CD1-CZ2 4.4Å; I125-W127 HydrophobicContact CG2-CD2 4.27Å; I125-W127 HydrophobicContact CG2-CG 4.28Å; I125-W127 HydrophobicContact CG2-CZ2 4.28Å; I125-W127 VanDerWaalsContact CG2-NE1 3.31Å; I125-M161 HydrophobicContact CD1-CE 3.35Å; I125-M161 HydrophobicContact CD1-SD 3.88Å; I125-M161 HydrophobicContact CG1-CE 4.31Å; I125-V168 HydrophobicContact CD1-CG1 4.17Å; I125-V168 HydrophobicContact CG1-CG1 4.47Å; I125-A169 PolarHBondContact N-O 3.05Å; I125-N170 CarbonylContact O-C 3.57Å; I125-N170 WeakPolarHBondContact O-CA 3.31Å; I125-V171 PolarHBondContact O-N 3.11Å
126D97.2Very high93.7Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-99.3107.1173.7-179.123000110.2R20 Q24 V100 N102 H128 V171R20-D126 IonicContact CZ-OD1 3.26Å; R20-D126 IonicContact CZ-OD2 2.79Å; R20-D126 IonicContact NE-OD1 3.2Å; R20-D126 PolarHBondContact NE-OD1 3.4Å; R20-D126 IonicContact NE-OD2 2.62Å; R20-D126 PolarHBondContact NE-OD2 2.7Å; R20-D126 IonicContact NH2-OD1 3.88Å; R20-D126 PolarHBondContact NH2-OD1 3.02Å; R20-D126 IonicContact NH2-OD2 2.97Å; Q24-D126 PolarHBondContact NE2-OD2 3.29Å; V100-D126 PolarHBondContact O-N 3.4Å; N102-D126 PolarHBondContact N-O 3.01Å; D126-H128 PolarHBondContact O-CD2 2.89Å; D126-H128 IonicContact OD1-CE1 3.54Å; D126-H128 IonicContact OD1-NE2 3.27Å; D126-H128 PolarHBondContact OD1-NE2 2.88Å; D126-H128 IonicContact OD2-CD2 3.56Å; D126-H128 IonicContact OD2-CE1 2.67Å; D126-H128 IonicContact OD2-NE2 2.71Å; D126-H128 PolarHBondContact OD2-NE2 2.62Å; D126-V171 HydrophobicContact CB-CG2 3.68Å
127W97.1Very high92.9Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-89.9110.9-174.6-64.278.6000110.9N102 F109 I125 Y130 E153 A157 N170 V171 C172 V173 L177 M181 I186N102-W127 HydrophobicContact CB-CE3 4.5Å; N102-W127 WeakPolarHBondContact ND2-CZ3 3.07Å; F109-W127 AromaticContact CE2-CH2 3.37Å; F109-W127 HydrophobicContact CE2-CH2 3.37Å; F109-W127 AromaticContact CE2-CZ2 3.79Å; F109-W127 HydrophobicContact CE2-CZ2 3.79Å; F109-W127 HydrophobicContact CE2-CZ3 4.05Å; F109-W127 AromaticContact CZ-CH2 3.58Å; F109-W127 HydrophobicContact CZ-CH2 3.58Å; F109-W127 AromaticContact CZ-CZ2 3.7Å; F109-W127 HydrophobicContact CZ-CZ2 3.7Å; F109-W127 HydrophobicContact CZ-CZ3 4.05Å; I125-W127 HydrophobicContact CD1-CZ2 4.4Å; I125-W127 HydrophobicContact CG2-CD2 4.27Å; I125-W127 HydrophobicContact CG2-CG 4.28Å; I125-W127 HydrophobicContact CG2-CZ2 4.28Å; I125-W127 VanDerWaalsContact CG2-NE1 3.31Å; W127-Y130 HydrophobicContact CE3-CD1 4.22Å; W127-Y130 AromaticContact CE3-CE1 3.97Å; W127-Y130 HydrophobicContact CE3-CE1 3.97Å; W127-Y130 AromaticContact CZ3-CD1 3.96Å; W127-Y130 HydrophobicContact CZ3-CD1 3.96Å; W127-Y130 AromaticContact CZ3-CE1 3.76Å; W127-Y130 HydrophobicContact CZ3-CE1 3.76Å; W127-E153 HydrophobicContact CZ3-CG 4.29Å; W127-A157 HydrophobicContact CH2-CB 3.86Å; W127-A157 HydrophobicContact CZ2-CB 4Å; W127-N170 PolarHBondContact NE1-OD1 3.38Å; W127-V171 PolarHBondContact N-O 2.92Å; W127-C172 HydrophobicContact CB-CB 4.1Å; W127-C172 WeakPolarHBondContact O-CA 3.49Å; W127-V173 PolarHBondContact O-N 2.85Å; W127-L177 HydrophobicContact CB-CD2 4.1Å; W127-L177 WeakPolarHBondContact O-CD2 3.48Å; W127-M181 HydrophobicContact CB-CE 4.27Å; W127-M181 HydrophobicContact CB-SD 4.05Å; W127-M181 VanDerWaalsContact CD1-CE 3.48Å; W127-M181 HydrophobicContact CD2-CE 3.59Å; W127-M181 HydrophobicContact CD2-SD 4.2Å; W127-M181 HydrophobicContact CE3-CE 4.32Å; W127-M181 HydrophobicContact CG-CE 3.54Å; W127-M181 HydrophobicContact CG-SD 3.95Å; W127-M181 HydrophobicContact CZ2-CE 4.24Å; W127-I186 HydrophobicContact CH2-CD1 4.21Å; W127-I186 HydrophobicContact CZ2-CD1 4.37Å
128H92.2Very high91.8Very high23 Ų2332.1 Ų32.111%0.10617%0.174CC..SBendtrans-92.3-48.5176.8-77.6-74.4000112.2R20 Q101 N102 D126 V173 D353R20-H128 WeakPolarHBondContact CD-CE1 3.46Å; R20-H128 WeakPolarHBondContact CD-NE2 3.39Å; R20-H128 VanDerWaalsContact CZ-CE1 3.43Å; R20-H128 PolarHBondContact NE-CE1 3.49Å; R20-H128 PolarHBondContact NE-NE2 3.48Å; R20-H128 VanDerWaalsContact NE-NE2 3.11Å; Q101-H128 WeakPolarHBondContact CG-CD2 3.34Å; N102-H128 VanDerWaalsContact O-CB 3.31Å; N102-H128 WeakPolarHBondContact O-CB 3.42Å; N102-H128 PolarHBondContact O-N 2.89Å; D126-H128 PolarHBondContact O-CD2 2.89Å; D126-H128 IonicContact OD1-CE1 3.54Å; D126-H128 IonicContact OD1-NE2 3.27Å; D126-H128 PolarHBondContact OD1-NE2 2.88Å; D126-H128 IonicContact OD2-CD2 3.56Å; D126-H128 IonicContact OD2-CE1 2.67Å; D126-H128 IonicContact OD2-NE2 2.71Å; D126-H128 PolarHBondContact OD2-NE2 2.62Å; H128-V173 WeakPolarHBondContact CE1-CG1 3.45Å; H128-V173 WeakPolarHBondContact ND1-CG1 3.22Å; H128-V173 VanDerWaalsContact O-CG2 3.31Å; H128-V173 WeakPolarHBondContact O-CG2 3.34Å; H128-D353 WeakPolarHBondContact O-CB 3.38Å
129N93.4Very high90.6Very high8 Ų828 Ų284%0.04316%0.157CC..SBendtrans-157.1179.2-178.7-152.8-31.1000107N102 T133 S349 S350 D353N102-N129 PolarHBondContact ND2-O 2.99Å; N129-T133 PolarHBondContact OD1-OG1 2.8Å; N129-S349 PolarHBondContact ND2-OG 2.6Å; N129-S349 PolarHBondContact OD1-OG 2.94Å; N129-S350 WeakPolarHBondContact OD1-CB 3.37Å; N129-S350 PolarHBondContact OD1-OG 3.32Å; N129-D353 HydrophobicContact CB-CB 4.4Å; N129-D353 PolarHBondContact ND2-OD1 2.88Å; N129-D353 PolarHBondContact ND2-OD2 2.79Å
130Y94.6Very high89Confident0 Ų031 Ų310%018%0.177CC..  trans-93.3134.9170.2-66.2-61.1000110.8W127 Y132 T133 V154 L177 D180 M181 L352W127-Y130 HydrophobicContact CE3-CD1 4.22Å; W127-Y130 AromaticContact CE3-CE1 3.97Å; W127-Y130 HydrophobicContact CE3-CE1 3.97Å; W127-Y130 AromaticContact CZ3-CD1 3.96Å; W127-Y130 HydrophobicContact CZ3-CD1 3.96Å; W127-Y130 AromaticContact CZ3-CE1 3.76Å; W127-Y130 HydrophobicContact CZ3-CE1 3.76Å; Y130-Y132 VanDerWaalsContact C-N 3.3Å; Y130-Y132 VanDerWaalsContact CB-CD1 3.5Å; Y130-Y132 HydrophobicContact CD1-CD1 4.46Å; Y130-Y132 HydrophobicContact CD1-CE1 4.08Å; Y130-Y132 AromaticContact CD2-CE1 3.76Å; Y130-Y132 HydrophobicContact CD2-CE1 3.76Å; Y130-Y132 HydrophobicContact CG-CD1 4.02Å; Y130-Y132 AromaticContact CG-CE1 3.48Å; Y130-Y132 HydrophobicContact CG-CE1 3.48Å; Y130-Y132 VanDerWaalsContact CG-CE1 3.48Å; Y130-Y132 PolarHBondContact O-N 3.38Å; Y130-T133 PolarHBondContact O-OG1 2.81Å; Y130-V154 HydrophobicContact CD1-CG2 3.99Å; Y130-V154 HydrophobicContact CE1-CG2 4.03Å; Y130-L177 HydrophobicContact CD2-CD1 4.39Å; Y130-L177 HydrophobicContact CE1-CD1 4.4Å; Y130-L177 HydrophobicContact CE2-CD1 3.64Å; Y130-D180 WeakPolarHBondContact CE2-OD2 3.29Å; Y130-D180 VanDerWaalsContact CZ-OD2 3.22Å; Y130-D180 PolarHBondContact OH-OD2 2.73Å; Y130-M181 VanDerWaalsContact OH-CG 3.23Å; Y130-M181 WeakPolarHBondContact OH-CG 3.48Å; Y130-L352 HydrophobicContact CD2-CD1 4.37Å; Y130-L352 HydrophobicContact CE2-CD1 3.78Å
131G92.4Very high87.3Confident2 Ų234.4 Ų34.42%0.02120%0.196CC..Hα-helixtrans-66.2-32.7173.400000112.4T133 L134 V135 Y149 E153G131-T133 VanDerWaalsContact C-N 3.32Å; G131-T133 PolarHBondContact O-N 2.75Å; G131-L134 PolarHBondContact O-N 2.96Å; G131-V135 WeakPolarHBondContact O-CG2 3.32Å; G131-V135 PolarHBondContact O-N 3.08Å; G131-V135 VanDerWaalsContact O-N 3.11Å; G131-Y149 VanDerWaalsContact CA-CE1 3.45Å; G131-E153 VanDerWaalsContact N-CD 3.26Å; G131-E153 PolarHBondContact N-OE1 3.22Å; G131-E153 PolarHBondContact N-OE2 3.28Å
132Y91.9Very high85.8Confident39 Ų3941.3 Ų41.315%0.15323%0.226CC..Hα-helixtrans-65.4-33.8179.881.7-91.7000112.7Y130 V135 E136 T146 Y149 Y150 E153 V154Y130-Y132 VanDerWaalsContact C-N 3.3Å; Y130-Y132 VanDerWaalsContact CB-CD1 3.5Å; Y130-Y132 HydrophobicContact CD1-CD1 4.46Å; Y130-Y132 HydrophobicContact CD1-CE1 4.08Å; Y130-Y132 AromaticContact CD2-CE1 3.76Å; Y130-Y132 HydrophobicContact CD2-CE1 3.76Å; Y130-Y132 HydrophobicContact CG-CD1 4.02Å; Y130-Y132 AromaticContact CG-CE1 3.48Å; Y130-Y132 HydrophobicContact CG-CE1 3.48Å; Y130-Y132 VanDerWaalsContact CG-CE1 3.48Å; Y130-Y132 PolarHBondContact O-N 3.38Å; Y132-V135 WeakPolarHBondContact O-CB 3.3Å; Y132-V135 PolarHBondContact O-N 3.39Å; Y132-E136 PolarHBondContact O-N 3.08Å; Y132-T146 HydrophobicContact CD2-CG2 4.28Å; Y132-Y149 VanDerWaalsContact CA-CD1 3.49Å; Y132-Y149 VanDerWaalsContact N-CD1 3.26Å; Y132-Y150 AromaticContact CD1-CD2 3.75Å; Y132-Y150 HydrophobicContact CD1-CD2 3.75Å; Y132-Y150 HydrophobicContact CD2-CD2 4.07Å; Y132-Y150 AromaticContact CE1-CD2 3.66Å; Y132-Y150 HydrophobicContact CE1-CD2 3.66Å; Y132-Y150 HydrophobicContact CE1-CE2 4.06Å; Y132-Y150 AromaticContact CE2-CD2 3.96Å; Y132-Y150 HydrophobicContact CE2-CD2 3.96Å; Y132-Y150 AromaticContact CG-CD2 3.98Å; Y132-Y150 HydrophobicContact CG-CD2 3.98Å; Y132-Y150 AromaticContact CZ-CD2 3.78Å; Y132-E153 PolarHBondContact N-OE2 3.3Å; Y132-V154 HydrophobicContact CD1-CG2 4.06Å; Y132-V154 HydrophobicContact CE1-CG2 3.98Å
133T90.8Very high84.9Confident6 Ų642.8 Ų42.84%0.03724%0.237CC..Hα-helixtrans-72.8-34.2178.155.10000111.5N129 Y130 G131 V135 E136 L137 S349N129-T133 PolarHBondContact OD1-OG1 2.8Å; Y130-T133 PolarHBondContact O-OG1 2.81Å; G131-T133 VanDerWaalsContact C-N 3.32Å; G131-T133 PolarHBondContact O-N 2.75Å; T133-V135 VanDerWaalsContact C-N 3.3Å; T133-V135 PolarHBondContact O-N 3.38Å; T133-E136 WeakPolarHBondContact O-CB 3.4Å; T133-E136 PolarHBondContact O-N 3.11Å; T133-L137 PolarHBondContact O-N 3.1Å; T133-L137 VanDerWaalsContact O-N 3.09Å; T133-S349 WeakPolarHBondContact CB-OG 3.38Å; T133-S349 PolarHBondContact OG1-OG 3.27Å
134L87Confident84.3Confident66 Ų6650.1 Ų50.135%0.34628%0.275SS..Hα-helixtrans-64.8-34.6171.3-65.9176.2000112.5P103 G131 N138P103-L134 HydrophobicContact CB-CD1 4.25Å; P103-L134 HydrophobicContact CG-CD1 3.56Å; G131-L134 PolarHBondContact O-N 2.96Å; L134-N138 PolarHBondContact O-ND2 3.09Å
135V85.8Confident83.6Confident27 Ų2753.9 Ų53.916%0.16429%0.292CS..Hα-helixtrans-67.7-41.3173.1168.90000110.7G131 Y132 T133 L137 N138 A139 F145 Y149G131-V135 WeakPolarHBondContact O-CG2 3.32Å; G131-V135 PolarHBondContact O-N 3.08Å; G131-V135 VanDerWaalsContact O-N 3.11Å; Y132-V135 WeakPolarHBondContact O-CB 3.3Å; Y132-V135 PolarHBondContact O-N 3.39Å; T133-V135 VanDerWaalsContact C-N 3.3Å; T133-V135 PolarHBondContact O-N 3.38Å; V135-L137 VanDerWaalsContact C-N 3.31Å; V135-L137 PolarHBondContact O-N 3.4Å; V135-N138 PolarHBondContact O-N 2.99Å; V135-N138 VanDerWaalsContact O-N 3.13Å; V135-A139 PolarHBondContact O-N 3.28Å; V135-F145 HydrophobicContact CB-CE1 4.5Å; V135-F145 HydrophobicContact CG1-CD1 3.4Å; V135-F145 HydrophobicContact CG1-CE1 3.45Å; V135-F145 VanDerWaalsContact CG1-CE1 3.45Å; V135-F145 HydrophobicContact CG2-CE1 4.19Å; V135-Y149 HydrophobicContact CG2-CD2 3.74Å; V135-Y149 HydrophobicContact CG2-CE2 3.94Å; V135-Y149 HydrophobicContact CG2-CG 4.25Å
136E86.3Confident83.1Confident68 Ų6854.3 Ų54.332%0.31829%0.294SS..Hα-helixtrans-62-34.8177.7-169.1165.8-162.700112.8Y132 T133 N138 A139 T146Y132-E136 PolarHBondContact O-N 3.08Å; T133-E136 WeakPolarHBondContact O-CB 3.4Å; T133-E136 PolarHBondContact O-N 3.11Å; E136-N138 PolarHBondContact O-N 3.21Å; E136-A139 PolarHBondContact O-N 2.85Å; E136-T146 HydrophobicContact CB-CG2 3.97Å; E136-T146 HydrophobicContact CG-CG2 4.41Å
137L79.7Confident82.8Confident78 Ų7863 Ų6341%0.40833%0.327SS..Hα-helixtrans-62.5-29.6174.3-72.1-178.8000113.8T133 V135 D267T133-L137 PolarHBondContact O-N 3.1Å; T133-L137 VanDerWaalsContact O-N 3.09Å; V135-L137 VanDerWaalsContact C-N 3.31Å; V135-L137 PolarHBondContact O-N 3.4Å; L137-D267 HydrophobicContact CD1-CB 4.31Å
138N72.9Confident82.5Confident120 Ų12067.2 Ų67.264%0.64235%0.349SS*.Hα-helixtrans-97.4-4.8-176.3-68.9-69.5000113.3L134 V135 E136L134-N138 PolarHBondContact O-ND2 3.09Å; V135-N138 PolarHBondContact O-N 2.99Å; V135-N138 VanDerWaalsContact O-N 3.13Å; E136-N138 PolarHBondContact O-N 3.21Å
139A69.5Low82.5Confident28 Ų2867.5 Ų67.523%0.23135%0.349CS..SBendtrans-122.4136.5-176.600000110.3V135 E136 S141V135-A139 PolarHBondContact O-N 3.28Å; E136-A139 PolarHBondContact O-N 2.85Å; A139-S141 PolarHBondContact O-N 2.86Å
140P60.3Low82.5Confident120 Ų12070.2 Ų70.278%0.77936%0.359SS*.SBendtrans-60.4116.2170.323.1-29.4000109.4
141S57.6Low82.6Confident102 Ų10273.4 Ų73.471%0.71338%0.376SS*.SBendtrans34.6121.7168.662.70000119.2A139 S143A139-S141 PolarHBondContact O-N 2.86Å; S141-S143 PolarHBondContact O-N 3.45Å
142K64.1Low82.7Confident177 Ų17776.4 Ų76.477%0.7739%0.391SS*.SBendtrans29.949.4164.5-66.7-171.1-179.9179.20116.5
143S77.8Confident82.9Confident34 Ų3474.5 Ų74.524%0.23838%0.384CS..  trans-64.1155178.872.50000111.3S141 F145 T146 R147S141-S143 PolarHBondContact O-N 3.45Å; S143-F145 PolarHBondContact O-N 3.33Å; S143-F145 VanDerWaalsContact O-N 3.08Å; S143-F145 PolarHBondContact OG-N 3.27Å; S143-T146 WeakPolarHBondContact O-CB 3.39Å; S143-T146 PolarHBondContact O-N 3.4Å; S143-T146 PolarHBondContact OG-N 2.78Å; S143-T146 VanDerWaalsContact OG-N 3.15Å; S143-T146 PolarHBondContact OG-OG1 3.14Å; S143-T146 VanDerWaalsContact OG-OG1 3.06Å; S143-R147 PolarHBondContact O-N 3.07Å
144L84Confident83.2Confident155 Ų15574.3 Ų74.381%0.81238%0.382SS*.Hα-helixtrans-50.7-32.2169.4-76.6164.6000111.8R147 L148L144-R147 PolarHBondContact O-N 2.62Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 PolarHBondContact O-N 2.9Å
145F82.9Confident83.6Confident79 Ų7973 Ų7335%0.34638%0.376SS..Hα-helixtrans-67.2-42.3177.3-175.2-101.4000112.5F74 V135 S143 R147 L148 Y149F74-F145 HydrophobicContact CB-CE2 4.46Å; F74-F145 HydrophobicContact CD1-CE2 4.39Å; F74-F145 AromaticContact CD1-CZ 3.94Å; F74-F145 HydrophobicContact CD1-CZ 3.94Å; F74-F145 HydrophobicContact CE1-CZ 4.11Å; F74-F145 HydrophobicContact CG-CE2 4.26Å; F74-F145 HydrophobicContact CG-CZ 4.26Å; V135-F145 HydrophobicContact CB-CE1 4.5Å; V135-F145 HydrophobicContact CG1-CD1 3.4Å; V135-F145 HydrophobicContact CG1-CE1 3.45Å; V135-F145 VanDerWaalsContact CG1-CE1 3.45Å; V135-F145 HydrophobicContact CG2-CE1 4.19Å; S143-F145 PolarHBondContact O-N 3.33Å; S143-F145 VanDerWaalsContact O-N 3.08Å; S143-F145 PolarHBondContact OG-N 3.27Å; F145-R147 VanDerWaalsContact C-N 3.33Å; F145-R147 PolarHBondContact O-N 3.2Å; F145-L148 PolarHBondContact O-N 3.03Å; F145-Y149 PolarHBondContact O-N 3.22Å
146T86.9Confident84.1Confident9 Ų972.8 Ų72.86%0.05537%0.373CS..Hα-helixtrans-60.8-43.6174.1-51.70000111Y132 E136 S143 Y149 Y150Y132-T146 HydrophobicContact CD2-CG2 4.28Å; E136-T146 HydrophobicContact CB-CG2 3.97Å; E136-T146 HydrophobicContact CG-CG2 4.41Å; S143-T146 WeakPolarHBondContact O-CB 3.39Å; S143-T146 PolarHBondContact O-N 3.4Å; S143-T146 PolarHBondContact OG-N 2.78Å; S143-T146 VanDerWaalsContact OG-N 3.15Å; S143-T146 PolarHBondContact OG-OG1 3.14Å; S143-T146 VanDerWaalsContact OG-OG1 3.06Å; T146-Y149 PolarHBondContact O-N 2.97Å; T146-Y150 PolarHBondContact O-N 3.43Å
147R90.6Very high84.6Confident181 Ų18169.7 Ų69.768%0.68336%0.359SS*.Hα-helixtrans-63-42.1175.5-176.7175.5-179.5162.90.6111.9S143 L144 F145 Y149 Y150 I151S143-R147 PolarHBondContact O-N 3.07Å; L144-R147 PolarHBondContact O-N 2.62Å; F145-R147 VanDerWaalsContact C-N 3.33Å; F145-R147 PolarHBondContact O-N 3.2Å; R147-Y149 VanDerWaalsContact C-N 3.35Å; R147-Y150 WeakPolarHBondContact O-CB 3.47Å; R147-Y150 PolarHBondContact O-N 3.21Å; R147-I151 HydrophobicContact CG-CD1 4.15Å; R147-I151 VanDerWaalsContact O-CG1 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.31Å; R147-I151 PolarHBondContact O-N 3.16Å
148L91.1Very high85.4Confident89 Ų8967.2 Ų67.247%0.46635%0.348SS..Hα-helixtrans-62.3-43.2175.8179.961.2000111.3L144 F145 I151 L152L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 PolarHBondContact O-N 2.9Å; F145-L148 PolarHBondContact O-N 3.03Å; L148-I151 PolarHBondContact O-N 3.45Å; L148-L152 HydrophobicContact CD1-CD1 4.07Å; L148-L152 HydrophobicContact CD1-CG 4.17Å; L148-L152 HydrophobicContact CG-CD1 3.97Å; L148-L152 HydrophobicContact CG-CG 4.45Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.05Å
149Y92.4Very high86.5Confident29 Ų2968.6 Ų68.611%0.11434%0.344CS..Hα-helixtrans-61.5-45.3176.2-157.6-69000111.2A105 V106 G131 Y132 V135 F145 T146 R147 I151 L152 E153A105-Y149 HydrophobicContact CB-CE1 4.49Å; V106-Y149 HydrophobicContact CB-CD2 4.39Å; V106-Y149 HydrophobicContact CB-CE2 3.91Å; V106-Y149 HydrophobicContact CG2-CD1 3.99Å; V106-Y149 HydrophobicContact CG2-CD2 4.12Å; V106-Y149 HydrophobicContact CG2-CE1 3.76Å; V106-Y149 HydrophobicContact CG2-CE2 3.91Å; V106-Y149 HydrophobicContact CG2-CG 4.18Å; G131-Y149 VanDerWaalsContact CA-CE1 3.45Å; Y132-Y149 VanDerWaalsContact CA-CD1 3.49Å; Y132-Y149 VanDerWaalsContact N-CD1 3.26Å; V135-Y149 HydrophobicContact CG2-CD2 3.74Å; V135-Y149 HydrophobicContact CG2-CE2 3.94Å; V135-Y149 HydrophobicContact CG2-CG 4.25Å; F145-Y149 PolarHBondContact O-N 3.22Å; T146-Y149 PolarHBondContact O-N 2.97Å; R147-Y149 VanDerWaalsContact C-N 3.35Å; Y149-I151 VanDerWaalsContact C-N 3.3Å; Y149-I151 PolarHBondContact O-N 2.82Å; Y149-L152 PolarHBondContact O-N 3.03Å; Y149-L152 VanDerWaalsContact O-N 3.17Å; Y149-E153 HydrophobicContact CD1-CB 4.13Å; Y149-E153 HydrophobicContact CE1-CB 4.13Å; Y149-E153 WeakPolarHBondContact CE1-OE2 3.42Å; Y149-E153 WeakPolarHBondContact O-CB 3.3Å; Y149-E153 PolarHBondContact O-N 3Å
150Y94.6Very high87.8Confident65 Ų6571.3 Ų71.326%0.25535%0.351SS..Hα-helixtrans-55.2-44.9174.8179.6-83.9000111.8Y132 T146 R147 E153 V154 D155Y132-Y150 AromaticContact CD1-CD2 3.75Å; Y132-Y150 HydrophobicContact CD1-CD2 3.75Å; Y132-Y150 HydrophobicContact CD2-CD2 4.07Å; Y132-Y150 AromaticContact CE1-CD2 3.66Å; Y132-Y150 HydrophobicContact CE1-CD2 3.66Å; Y132-Y150 HydrophobicContact CE1-CE2 4.06Å; Y132-Y150 AromaticContact CE2-CD2 3.96Å; Y132-Y150 HydrophobicContact CE2-CD2 3.96Å; Y132-Y150 AromaticContact CG-CD2 3.98Å; Y132-Y150 HydrophobicContact CG-CD2 3.98Å; Y132-Y150 AromaticContact CZ-CD2 3.78Å; T146-Y150 PolarHBondContact O-N 3.43Å; R147-Y150 WeakPolarHBondContact O-CB 3.47Å; R147-Y150 PolarHBondContact O-N 3.21Å; Y150-E153 PolarHBondContact O-N 3.21Å; Y150-V154 HydrophobicContact CD1-CB 4.47Å; Y150-V154 HydrophobicContact CD2-CB 4.2Å; Y150-V154 HydrophobicContact CD2-CG2 4Å; Y150-V154 HydrophobicContact CE1-CB 4.18Å; Y150-V154 HydrophobicContact CE1-CG1 4.29Å; Y150-V154 HydrophobicContact CE2-CB 3.91Å; Y150-V154 HydrophobicContact CE2-CG1 4.01Å; Y150-V154 HydrophobicContact CE2-CG2 3.89Å; Y150-V154 HydrophobicContact CG-CB 4.46Å; Y150-V154 WeakPolarHBondContact O-CA 3.29Å; Y150-V154 WeakPolarHBondContact O-CB 3.3Å; Y150-V154 PolarHBondContact O-N 3.06Å; Y150-D155 WeakPolarHBondContact CE1-OD1 3.3Å; Y150-D155 PolarHBondContact O-N 3.3Å
151I95.4Very high89.4Confident68 Ų6865.8 Ų65.835%0.34932%0.315SS..Iπ-helixtrans-63.2-45.3177.9-67.8163.8000110.9R147 L148 Y149 E153 D155 F156R147-I151 HydrophobicContact CG-CD1 4.15Å; R147-I151 VanDerWaalsContact O-CG1 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.31Å; R147-I151 PolarHBondContact O-N 3.16Å; L148-I151 PolarHBondContact O-N 3.45Å; Y149-I151 VanDerWaalsContact C-N 3.3Å; Y149-I151 PolarHBondContact O-N 2.82Å; I151-E153 VanDerWaalsContact C-N 3.31Å; I151-E153 PolarHBondContact O-N 3.24Å; I151-D155 HydrophobicContact CG2-CB 4.41Å; I151-D155 WeakPolarHBondContact O-CB 3.45Å; I151-F156 PolarHBondContact O-N 2.68Å
152L94.6Very high91Very high64 Ų6462.7 Ų62.734%0.33529%0.293SS..Iπ-helixtrans-73.4-21.5-177.2-67175.4000113.7V106 L148 Y149 F156V106-L152 HydrophobicContact CG1-CB 4.3Å; V106-L152 HydrophobicContact CG1-CD1 3.82Å; V106-L152 HydrophobicContact CG2-CB 3.61Å; L148-L152 HydrophobicContact CD1-CD1 4.07Å; L148-L152 HydrophobicContact CD1-CG 4.17Å; L148-L152 HydrophobicContact CG-CD1 3.97Å; L148-L152 HydrophobicContact CG-CG 4.45Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.05Å; Y149-L152 PolarHBondContact O-N 3.03Å; Y149-L152 VanDerWaalsContact O-N 3.17Å; L152-F156 VanDerWaalsContact O-CB 3.25Å; L152-F156 WeakPolarHBondContact O-CB 3.47Å
153E96.3Very high92.3Very high0 Ų063.4 Ų63.40%029%0.291CS..Iπ-helixtrans-95.9-70.6175.9175.6171.8-142.400111.2N102 A105 F109 W127 G131 Y132 Y149 Y150 I151 A157N102-E153 PolarHBondContact ND2-OE1 2.96Å; A105-E153 HydrophobicContact CB-CB 3.65Å; A105-E153 HydrophobicContact CB-CG 3.44Å; A105-E153 VanDerWaalsContact CB-CG 3.44Å; F109-E153 HydrophobicContact CE2-CG 4.11Å; W127-E153 HydrophobicContact CZ3-CG 4.29Å; G131-E153 VanDerWaalsContact N-CD 3.26Å; G131-E153 PolarHBondContact N-OE1 3.22Å; G131-E153 PolarHBondContact N-OE2 3.28Å; Y132-E153 PolarHBondContact N-OE2 3.3Å; Y149-E153 HydrophobicContact CD1-CB 4.13Å; Y149-E153 HydrophobicContact CE1-CB 4.13Å; Y149-E153 WeakPolarHBondContact CE1-OE2 3.42Å; Y149-E153 WeakPolarHBondContact O-CB 3.3Å; Y149-E153 PolarHBondContact O-N 3Å; Y150-E153 PolarHBondContact O-N 3.21Å; I151-E153 VanDerWaalsContact C-N 3.31Å; I151-E153 PolarHBondContact O-N 3.24Å; E153-A157 VanDerWaalsContact O-CB 3.23Å; E153-A157 WeakPolarHBondContact O-CB 3.38Å; E153-A157 PolarHBondContact O-N 2.91Å
154V96.6Very high93Very high1 Ų163 Ų631%0.00629%0.286CS..Iπ-helixtrans-78.5-53.3-167.7178.80000111.3Y130 Y132 Y150 F156 A157 S158 K184Y130-V154 HydrophobicContact CD1-CG2 3.99Å; Y130-V154 HydrophobicContact CE1-CG2 4.03Å; Y132-V154 HydrophobicContact CD1-CG2 4.06Å; Y132-V154 HydrophobicContact CE1-CG2 3.98Å; Y150-V154 HydrophobicContact CD1-CB 4.47Å; Y150-V154 HydrophobicContact CD2-CB 4.2Å; Y150-V154 HydrophobicContact CD2-CG2 4Å; Y150-V154 HydrophobicContact CE1-CB 4.18Å; Y150-V154 HydrophobicContact CE1-CG1 4.29Å; Y150-V154 HydrophobicContact CE2-CB 3.91Å; Y150-V154 HydrophobicContact CE2-CG1 4.01Å; Y150-V154 HydrophobicContact CE2-CG2 3.89Å; Y150-V154 HydrophobicContact CG-CB 4.46Å; Y150-V154 WeakPolarHBondContact O-CA 3.29Å; Y150-V154 WeakPolarHBondContact O-CB 3.3Å; Y150-V154 PolarHBondContact O-N 3.06Å; V154-F156 VanDerWaalsContact C-N 3.26Å; V154-F156 PolarHBondContact O-N 3.31Å; V154-A157 PolarHBondContact O-N 3.39Å; V154-S158 WeakPolarHBondContact O-CB 3.32Å; V154-S158 PolarHBondContact O-N 2.93Å; V154-K184 HydrophobicContact CG1-CB 4.02Å; V154-K184 HydrophobicContact CG1-CD 3.53Å; V154-K184 HydrophobicContact CG1-CG 3.77Å
155D96.6Very high93.2Very high40 Ų4060.3 Ų60.321%0.21428%0.28CS..Iπ-helixtrans-65.2-35.3-179.9-68.8-21.1000110.7Y150 I151 S158 R159Y150-D155 WeakPolarHBondContact CE1-OD1 3.3Å; Y150-D155 PolarHBondContact O-N 3.3Å; I151-D155 HydrophobicContact CG2-CB 4.41Å; I151-D155 WeakPolarHBondContact O-CB 3.45Å; D155-S158 PolarHBondContact O-N 3.22Å; D155-R159 WeakPolarHBondContact O-CB 3.4Å; D155-R159 VanDerWaalsContact O-CG 3.24Å; D155-R159 WeakPolarHBondContact O-CG 3.23Å; D155-R159 PolarHBondContact O-N 3.36Å
156F97Very high93.5Very high21 Ų2159.9 Ų59.99%0.09228%0.281CS..Hα-helixtrans-64.1-49.7175.7-172.6-90.3000111.7F109 F110 W113 I151 L152 V154 S158 R159 F160 M161F109-F156 HydrophobicContact CB-CD1 3.98Å; F109-F156 HydrophobicContact CB-CE1 4.19Å; F110-F156 HydrophobicContact CB-CZ 4.27Å; F110-F156 AromaticContact CD2-CE2 3.88Å; F110-F156 HydrophobicContact CD2-CE2 3.88Å; F110-F156 AromaticContact CD2-CZ 3.94Å; F110-F156 HydrophobicContact CD2-CZ 3.94Å; W113-F156 HydrophobicContact CB-CE1 3.84Å; W113-F156 HydrophobicContact CB-CZ 3.93Å; W113-F156 AromaticContact CD2-CZ 3.91Å; W113-F156 HydrophobicContact CD2-CZ 3.91Å; W113-F156 AromaticContact CE3-CZ 3.98Å; W113-F156 HydrophobicContact CE3-CZ 3.98Å; W113-F156 HydrophobicContact CG-CE1 4.13Å; W113-F156 AromaticContact CG-CZ 3.89Å; W113-F156 HydrophobicContact CG-CZ 3.89Å; I151-F156 PolarHBondContact O-N 2.68Å; L152-F156 VanDerWaalsContact O-CB 3.25Å; L152-F156 WeakPolarHBondContact O-CB 3.47Å; V154-F156 VanDerWaalsContact C-N 3.26Å; V154-F156 PolarHBondContact O-N 3.31Å; F156-S158 VanDerWaalsContact C-N 3.33Å; F156-S158 PolarHBondContact O-N 3.32Å; F156-R159 PolarHBondContact O-N 3.37Å; F156-F160 AromaticContact CD2-CD2 3.54Å; F156-F160 HydrophobicContact CD2-CD2 3.54Å; F156-F160 HydrophobicContact CD2-CE2 4Å; F156-F160 HydrophobicContact CD2-CG 4.4Å; F156-F160 HydrophobicContact CE1-CB 4.48Å; F156-F160 HydrophobicContact CE2-CB 4.41Å; F156-F160 AromaticContact CE2-CD2 3.7Å; F156-F160 HydrophobicContact CE2-CD2 3.7Å; F156-F160 HydrophobicContact CE2-CE2 4.24Å; F156-F160 HydrophobicContact CE2-CG 4.18Å; F156-F160 HydrophobicContact CG-CD2 4.11Å; F156-F160 HydrophobicContact CZ-CB 4.29Å; F156-F160 HydrophobicContact CZ-CD2 4.4Å; F156-F160 WeakPolarHBondContact O-CB 3.33Å; F156-F160 PolarHBondContact O-N 3.24Å; F156-M161 HydrophobicContact CD1-CG 4.2Å; F156-M161 HydrophobicContact CD1-SD 4.24Å; F156-M161 HydrophobicContact CE1-CG 4.03Å; F156-M161 HydrophobicContact CE1-SD 4.25Å
157A96.7Very high93.8Very high3 Ų362.7 Ų62.73%0.02529%0.291CS..Iπ-helixtrans-60-45.117600000111.4F109 W127 E153 V154 M161 S162 I186F109-A157 HydrophobicContact CD2-CB 4.28Å; F109-A157 HydrophobicContact CE2-CB 4.16Å; W127-A157 HydrophobicContact CH2-CB 3.86Å; W127-A157 HydrophobicContact CZ2-CB 4Å; E153-A157 VanDerWaalsContact O-CB 3.23Å; E153-A157 WeakPolarHBondContact O-CB 3.38Å; E153-A157 PolarHBondContact O-N 2.91Å; V154-A157 PolarHBondContact O-N 3.39Å; A157-M161 HydrophobicContact CB-SD 4.31Å; A157-M161 WeakPolarHBondContact O-CB 3.37Å; A157-M161 PolarHBondContact O-N 3.3Å; A157-S162 PolarHBondContact O-N 3.22Å; A157-I186 HydrophobicContact CB-CD1 3.7Å; A157-I186 HydrophobicContact CB-CG1 4.48Å
158S96.4Very high94.1Very high26 Ų2654.5 Ų54.518%0.18226%0.261CS..Iπ-helixtrans-64-38.3179.1-179.20000113.8V154 D155 F156 S162 K184V154-S158 WeakPolarHBondContact O-CB 3.32Å; V154-S158 PolarHBondContact O-N 2.93Å; D155-S158 PolarHBondContact O-N 3.22Å; F156-S158 VanDerWaalsContact C-N 3.33Å; F156-S158 PolarHBondContact O-N 3.32Å; S158-S162 WeakPolarHBondContact O-CB 3.18Å; S158-S162 PolarHBondContact O-OG 3.05Å; S158-K184 WeakPolarHBondContact CB-O 3.39Å; S158-K184 PolarHBondContact OG-O 2.82Å
159R95.1Very high94.4Very high149 Ų14951.3 Ų51.356%0.56225%0.247SC*.Iπ-helixtrans-94.2-30-174.2-68.2176.3178-172.40.7114.2D155 F156 R163D155-R159 WeakPolarHBondContact O-CB 3.4Å; D155-R159 VanDerWaalsContact O-CG 3.24Å; D155-R159 WeakPolarHBondContact O-CG 3.23Å; D155-R159 PolarHBondContact O-N 3.36Å; F156-R159 PolarHBondContact O-N 3.37Å; R159-R163 WeakPolarHBondContact O-CD 3.3Å; R159-R163 WeakPolarHBondContact O-CG 3.5Å; R159-R163 PolarHBondContact O-NE 3.09Å; R159-R163 VanDerWaalsContact O-NE 3.11Å
160F96Very high94.6Very high85 Ų8550.7 Ų50.737%0.37325%0.246SC..Iπ-helixtrans-115.2-46.4-172.2-62.2-76.7000113.1W113 F156W113-F160 HydrophobicContact CZ2-CD1 4.35Å; F156-F160 AromaticContact CD2-CD2 3.54Å; F156-F160 HydrophobicContact CD2-CD2 3.54Å; F156-F160 HydrophobicContact CD2-CE2 4Å; F156-F160 HydrophobicContact CD2-CG 4.4Å; F156-F160 HydrophobicContact CE1-CB 4.48Å; F156-F160 HydrophobicContact CE2-CB 4.41Å; F156-F160 AromaticContact CE2-CD2 3.7Å; F156-F160 HydrophobicContact CE2-CD2 3.7Å; F156-F160 HydrophobicContact CE2-CE2 4.24Å; F156-F160 HydrophobicContact CE2-CG 4.18Å; F156-F160 HydrophobicContact CG-CD2 4.11Å; F156-F160 HydrophobicContact CZ-CB 4.29Å; F156-F160 HydrophobicContact CZ-CD2 4.4Å; F156-F160 WeakPolarHBondContact O-CB 3.33Å; F156-F160 PolarHBondContact O-N 3.24Å
161M94.7Very high94.8Very high4 Ų447.6 Ų47.62%0.0223%0.234CC..Iπ-helixtrans-77.8-39.4-175.3-56.1-175.281.300111.9F109 L123 I125 F156 A157 R163 M164 V168F109-M161 HydrophobicContact CB-SD 3.88Å; F109-M161 HydrophobicContact CD1-SD 4.45Å; F109-M161 HydrophobicContact CD2-SD 4.04Å; F109-M161 HydrophobicContact CG-SD 3.88Å; L123-M161 HydrophobicContact CD2-CE 3.33Å; I125-M161 HydrophobicContact CD1-CE 3.35Å; I125-M161 HydrophobicContact CD1-SD 3.88Å; I125-M161 HydrophobicContact CG1-CE 4.31Å; F156-M161 HydrophobicContact CD1-CG 4.2Å; F156-M161 HydrophobicContact CD1-SD 4.24Å; F156-M161 HydrophobicContact CE1-CG 4.03Å; F156-M161 HydrophobicContact CE1-SD 4.25Å; A157-M161 HydrophobicContact CB-SD 4.31Å; A157-M161 WeakPolarHBondContact O-CB 3.37Å; A157-M161 PolarHBondContact O-N 3.3Å; M161-R163 PolarHBondContact O-N 2.83Å; M161-M164 PolarHBondContact O-N 2.93Å; M161-V168 HydrophobicContact CB-CG1 4.35Å; M161-V168 HydrophobicContact CE-CG1 4.4Å
162S92.1Very high94.9Very high38 Ų3844.3 Ų44.327%0.26622%0.217SC..G310 helixtrans-58.7-30.1175.971.60000113.3A157 S158 M164 S165A157-S162 PolarHBondContact O-N 3.22Å; S158-S162 WeakPolarHBondContact O-CB 3.18Å; S158-S162 PolarHBondContact O-OG 3.05Å; S162-M164 PolarHBondContact O-N 2.91Å; S162-S165 PolarHBondContact O-N 2.86Å
163R91.3Very high95Very high192 Ų19241.4 Ų41.473%0.72520%0.202SC*.G310 helixtrans-71-15.9177.1-67.8-174.7179161.80.2113.2R159 M161R159-R163 WeakPolarHBondContact O-CD 3.3Å; R159-R163 WeakPolarHBondContact O-CG 3.5Å; R159-R163 PolarHBondContact O-NE 3.09Å; R159-R163 VanDerWaalsContact O-NE 3.11Å; M161-R163 PolarHBondContact O-N 2.83Å
164M91.7Very high95Very high26 Ų2641.4 Ų41.413%0.12820%0.202CC..G310 helixtrans-103.240.8175.7-62.3-178.660.600110.5I116 M161 S162 D166 R167 V168I116-M164 HydrophobicContact CD1-CE 3.83Å; I116-M164 HydrophobicContact CD1-SD 4.38Å; I116-M164 HydrophobicContact CG1-CE 3.88Å; M161-M164 PolarHBondContact O-N 2.93Å; S162-M164 PolarHBondContact O-N 2.91Å; M164-D166 VanDerWaalsContact C-OD1 3.27Å; M164-D166 WeakPolarHBondContact CA-OD1 3.39Å; M164-D166 PolarHBondContact O-N 3.06Å; M164-D166 VanDerWaalsContact O-N 3.09Å; M164-R167 CarbonylContact O-C 3.57Å; M164-R167 PolarHBondContact O-N 3.13Å; M164-V168 HydrophobicContact CB-CG2 3.92Å; M164-V168 PolarHBondContact O-N 3.24Å
165S88.3Confident95.1Very high98 Ų9847.6 Ų47.669%0.68523%0.229SC*.THydrogen-bonded Turntrans-62.7-14.3-176.758.70000114.1S162 R167S162-S165 PolarHBondContact O-N 2.86Å; S165-R167 VanDerWaalsContact C-N 3.3Å
166D90Very high95.2Very high69 Ų6946.9 Ų46.937%0.36923%0.228SC..THydrogen-bonded Turntrans-70.5-24.317063.1-46.9000113M164 T463M164-D166 VanDerWaalsContact C-OD1 3.27Å; M164-D166 WeakPolarHBondContact CA-OD1 3.39Å; M164-D166 PolarHBondContact O-N 3.06Å; M164-D166 VanDerWaalsContact O-N 3.09Å; D166-T463 WeakPolarHBondContact O-CB 3.36Å; D166-T463 PolarHBondContact O-OG1 3.14Å
167R92.9Very high95.2Very high68 Ų6845.9 Ų45.926%0.25722%0.224SC..THydrogen-bonded Turntrans-125.3-22.7-174.7-60.8178.4-156.1-167.8-3.7114.5N122 L123 M164 S165N122-R167 CarbonylContact C-O 3.59Å; N122-R167 WeakPolarHBondContact CA-O 3.49Å; L123-R167 PolarHBondContact N-O 3.1Å; M164-R167 CarbonylContact O-C 3.57Å; M164-R167 PolarHBondContact O-N 3.13Å; S165-R167 VanDerWaalsContact C-N 3.3Å
168V96.5Very high95.2Very high9 Ų949.3 Ų49.36%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-108.7118.1-178.6-175.30000108.9I116 L123 I125 M161 M164I116-V168 HydrophobicContact CD1-CG2 3.57Å; L123-V168 HydrophobicContact CB-CG2 4.39Å; L123-V168 HydrophobicContact CD2-CG1 4.48Å; L123-V168 CarbonylContact O-C 3.57Å; L123-V168 VanDerWaalsContact O-CA 3.3Å; L123-V168 WeakPolarHBondContact O-CA 3.3Å; I125-V168 HydrophobicContact CD1-CG1 4.17Å; I125-V168 HydrophobicContact CG1-CG1 4.47Å; M161-V168 HydrophobicContact CB-CG1 4.35Å; M161-V168 HydrophobicContact CE-CG1 4.4Å; M164-V168 HydrophobicContact CB-CG2 3.92Å; M164-V168 PolarHBondContact O-N 3.24Å
169A96.9Very high95.3Very high22 Ų2255.6 Ų55.618%0.18226%0.259CS..EExtended strand (participates in β ladder)trans-115.3152.8171.200000110.5L123 V124 I125 V456L123-A169 PolarHBondContact O-N 2.99Å; V124-A169 CarbonylContact C-O 3.6Å; V124-A169 VanDerWaalsContact CA-O 3.3Å; V124-A169 WeakPolarHBondContact CA-O 3.04Å; V124-A169 HydrophobicContact CG2-CB 4.16Å; I125-A169 PolarHBondContact N-O 3.05Å; A169-V456 HydrophobicContact CB-CG1 3.66Å
170N97.4Very high95.4Very high16 Ų1650.4 Ų50.49%0.08624%0.242CC..EExtended strand (participates in β ladder)trans-123.6136.8179-53.5-79000110.1I125 W127 M181 E187 A188 T189I125-N170 CarbonylContact O-C 3.57Å; I125-N170 WeakPolarHBondContact O-CA 3.31Å; W127-N170 PolarHBondContact NE1-OD1 3.38Å; N170-M181 HydrophobicContact CB-CE 4.2Å; N170-E187 WeakPolarHBondContact CB-O 3.48Å; N170-E187 PolarHBondContact ND2-O 3.48Å; N170-A188 HydrophobicContact CB-CB 3.75Å; N170-A188 WeakPolarHBondContact O-CA 3.39Å; N170-T189 PolarHBondContact O-N 2.95Å
171V97.6Very high95.5Very high0 Ų046.3 Ų46.30%022%0.224CC..EExtended strand (participates in β ladder)trans-118.8151.1164.9-60.70000109.1V124 I125 D126 W127 T189 V456 Y457V124-V171 HydrophobicContact CG1-CG2 4.3Å; I125-V171 PolarHBondContact O-N 3.11Å; D126-V171 HydrophobicContact CB-CG2 3.68Å; W127-V171 PolarHBondContact N-O 2.92Å; V171-T189 CarbonylContact C-O 3.52Å; V171-T189 WeakPolarHBondContact CA-O 3.08Å; V171-V456 HydrophobicContact CG1-CB 4.24Å; V171-V456 HydrophobicContact CG1-CG1 3.97Å; V171-V456 HydrophobicContact CG1-CG2 4.19Å; V171-Y457 HydrophobicContact CG1-CE1 4.28Å
172C97.9Very high95.6Very high0 Ų053.5 Ų53.50%025%0.251CS..EExtended strand (participates in β ladder)trans-144.4153.7-175.960.30000111.7W127 S174 L177 M181 A188 T189 V190 Y191W127-C172 HydrophobicContact CB-CB 4.1Å; W127-C172 WeakPolarHBondContact O-CA 3.49Å; C172-S174 PolarHBondContact O-N 2.87Å; C172-L177 HydrophobicContact CB-CD2 3.98Å; C172-L177 HydrophobicContact CB-CG 4.13Å; C172-M181 HydrophobicContact CB-SD 3.87Å; C172-A188 HydrophobicContact CB-CB 4.29Å; C172-T189 PolarHBondContact N-O 2.86Å; C172-V190 CarbonylContact O-C 3.54Å; C172-V190 WeakPolarHBondContact O-CA 3.29Å; C172-Y191 CarbonylContact O-C 3.58Å; C172-Y191 PolarHBondContact O-N 3.45Å
173V96.7Very high95.8Very high2 Ų258 Ų581%0.01227%0.27CS..SBendtrans-76.8-14.2-170.5-67.70000115.9W127 H128 L177 Y192 D353W127-V173 PolarHBondContact O-N 2.85Å; H128-V173 WeakPolarHBondContact CE1-CG1 3.45Å; H128-V173 WeakPolarHBondContact ND1-CG1 3.22Å; H128-V173 VanDerWaalsContact O-CG2 3.31Å; H128-V173 WeakPolarHBondContact O-CG2 3.34Å; V173-L177 HydrophobicContact CG2-CD2 4.02Å; V173-Y192 WeakPolarHBondContact O-CD1 3.26Å; V173-Y192 WeakPolarHBondContact O-CE1 3.33Å; V173-D353 HydrophobicContact CG2-CB 4.11Å
174S97.5Very high96Very high0 Ų050.3 Ų50.30%024%0.242CC..  trans-149.8161.4-174.770.60000112.6C172 L177 K178 L352C172-S174 PolarHBondContact O-N 2.87Å; S174-L177 WeakPolarHBondContact OG-CB 3.49Å; S174-L177 PolarHBondContact OG-N 3Å; S174-K178 PolarHBondContact O-N 3.03Å; S174-K178 VanDerWaalsContact O-N 3.09Å; S174-L352 WeakPolarHBondContact CB-O 3.28Å; S174-L352 PolarHBondContact OG-O 3.28Å
175K97.9Very high96.2Very high132 Ų13253 Ų5357%0.57426%0.263SS*.Hα-helixtrans-69.1-36.6171.7-73.5162.4-174.4174.20111.1K178 Y179 V190 Y192 E378K175-K178 WeakPolarHBondContact O-CB 3.08Å; K175-K178 PolarHBondContact O-N 2.83Å; K175-Y179 WeakPolarHBondContact O-CB 3.28Å; K175-Y179 PolarHBondContact O-N 3.41Å; K175-V190 HydrophobicContact CG-CG2 4.06Å; K175-Y192 VanDerWaalsContact CD-OH 3.23Å; K175-Y192 WeakPolarHBondContact CD-OH 2.98Å; K175-Y192 VanDerWaalsContact CE-OH 3.29Å; K175-Y192 WeakPolarHBondContact CE-OH 2.99Å; K175-Y192 WeakPolarHBondContact CG-OH 3.47Å; K175-E378 WeakPolarHBondContact CB-OE1 3.24Å; K175-E378 WeakPolarHBondContact CB-OE2 3.47Å; K175-E378 PolarHBondContact N-OE1 3.5Å; K175-E378 PolarHBondContact N-OE2 3.32Å
176A97.6Very high96.6Very high24 Ų2448.5 Ų48.520%0.19823%0.231CC..Hα-helixtrans-59.7-47.5175.900000111.1K178 Y179 D180 L352 T375 E378A176-K178 PolarHBondContact O-N 3.16Å; A176-Y179 PolarHBondContact O-N 3.23Å; A176-D180 WeakPolarHBondContact O-CB 3.48Å; A176-D180 PolarHBondContact O-N 3.09Å; A176-L352 HydrophobicContact CB-CD2 3.88Å; A176-T375 HydrophobicContact CB-CG2 3.65Å; A176-T375 VanDerWaalsContact CB-OG1 3.24Å; A176-T375 WeakPolarHBondContact CB-OG1 3.43Å; A176-E378 WeakPolarHBondContact CB-OE1 3.21Å; A176-E378 PolarHBondContact N-OE1 2.85Å
177L97.4Very high96.9Very high1 Ų150.5 Ų50.51%0.00524%0.238CC..Hα-helixtrans-63-42.9175.6-175.855.9000111.1W127 Y130 C172 V173 S174 Y179 D180 M181 L352W127-L177 HydrophobicContact CB-CD2 4.1Å; W127-L177 WeakPolarHBondContact O-CD2 3.48Å; Y130-L177 HydrophobicContact CD2-CD1 4.39Å; Y130-L177 HydrophobicContact CE1-CD1 4.4Å; Y130-L177 HydrophobicContact CE2-CD1 3.64Å; C172-L177 HydrophobicContact CB-CD2 3.98Å; C172-L177 HydrophobicContact CB-CG 4.13Å; V173-L177 HydrophobicContact CG2-CD2 4.02Å; S174-L177 WeakPolarHBondContact OG-CB 3.49Å; S174-L177 PolarHBondContact OG-N 3Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; L177-Y179 PolarHBondContact O-N 2.9Å; L177-D180 PolarHBondContact O-N 3.49Å; L177-M181 HydrophobicContact CD1-CG 4.09Å; L177-M181 HydrophobicContact CD1-SD 4.23Å; L177-M181 HydrophobicContact CG-CG 4.28Å; L177-M181 HydrophobicContact CG-SD 3.87Å; L177-M181 VanDerWaalsContact O-CB 3.31Å; L177-M181 WeakPolarHBondContact O-CB 3.4Å; L177-M181 WeakPolarHBondContact O-CG 3.5Å; L177-M181 PolarHBondContact O-N 3.13Å; L177-L352 HydrophobicContact CB-CB 4.14Å; L177-L352 HydrophobicContact CD1-CB 4.17Å; L177-L352 HydrophobicContact CD1-CD1 4.03Å
178K97.9Very high97.1Very high74 Ų7447.6 Ų47.632%0.32223%0.228SC..Hα-helixtrans-56-47.3173.2177.2173.31741650112.5S174 K175 A176 M181 R182 A188 V190S174-K178 PolarHBondContact O-N 3.03Å; S174-K178 VanDerWaalsContact O-N 3.09Å; K175-K178 WeakPolarHBondContact O-CB 3.08Å; K175-K178 PolarHBondContact O-N 2.83Å; A176-K178 PolarHBondContact O-N 3.16Å; K178-M181 PolarHBondContact O-N 2.95Å; K178-R182 WeakPolarHBondContact O-CB 3.28Å; K178-R182 PolarHBondContact O-N 3Å; K178-A188 VanDerWaalsContact CD-O 3.26Å; K178-A188 WeakPolarHBondContact CD-O 3.35Å; K178-A188 WeakPolarHBondContact CE-O 3.38Å; K178-A188 PolarHBondContact NZ-O 3.3Å; K178-V190 HydrophobicContact CB-CG2 3.91Å; K178-V190 HydrophobicContact CD-CG2 3.55Å; K178-V190 HydrophobicContact CG-CG2 4.35Å
179Y97.8Very high97.1Very high159 Ų15949.9 Ų49.962%0.62424%0.242SC*.Hα-helixtrans-62.6-47.2-178.8178.3-96.3000110.8K175 A176 L177 R182 M183K175-Y179 WeakPolarHBondContact O-CB 3.28Å; K175-Y179 PolarHBondContact O-N 3.41Å; A176-Y179 PolarHBondContact O-N 3.23Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; L177-Y179 PolarHBondContact O-N 2.9Å; Y179-R182 WeakPolarHBondContact O-CB 3.45Å; Y179-R182 PolarHBondContact O-N 3.44Å; Y179-M183 HydrophobicContact CE1-CG 4.16Å; Y179-M183 WeakPolarHBondContact O-CG 3.39Å; Y179-M183 PolarHBondContact O-N 3.31Å; Y179-M183 VanDerWaalsContact O-N 3.09Å
180D97.5Very high97.2Very high39 Ų3949.9 Ų49.921%0.20924%0.24CC..Hα-helixtrans-62.6-43.1177.1174.576000112.4Y130 A176 L177 R182 M183 K184 L352Y130-D180 WeakPolarHBondContact CE2-OD2 3.29Å; Y130-D180 VanDerWaalsContact CZ-OD2 3.22Å; Y130-D180 PolarHBondContact OH-OD2 2.73Å; A176-D180 WeakPolarHBondContact O-CB 3.48Å; A176-D180 PolarHBondContact O-N 3.09Å; L177-D180 PolarHBondContact O-N 3.49Å; D180-R182 VanDerWaalsContact C-N 3.31Å; D180-R182 PolarHBondContact O-N 2.93Å; D180-M183 WeakPolarHBondContact O-CB 3.37Å; D180-M183 PolarHBondContact O-N 3.15Å; D180-K184 PolarHBondContact O-N 2.51Å; D180-K184 IonicContact OD1-NZ 3.42Å; D180-K184 PolarHBondContact OD1-NZ 3.13Å; D180-K184 IonicContact OD2-NZ 2.57Å; D180-K184 PolarHBondContact OD2-NZ 3.37Å; D180-L352 HydrophobicContact CB-CD1 3.77Å; D180-L352 HydrophobicContact CB-CD2 4.41Å
181M97.1Very high97.1Very high0 Ų049.5 Ų49.50%024%0.238CC..Hα-helixtrans-60.4-39.6173.9-73.8175.371.500112.1W127 Y130 N170 C172 L177 K178 M183 K184 S185 I186 A188W127-M181 HydrophobicContact CB-CE 4.27Å; W127-M181 HydrophobicContact CB-SD 4.05Å; W127-M181 VanDerWaalsContact CD1-CE 3.48Å; W127-M181 HydrophobicContact CD2-CE 3.59Å; W127-M181 HydrophobicContact CD2-SD 4.2Å; W127-M181 HydrophobicContact CE3-CE 4.32Å; W127-M181 HydrophobicContact CG-CE 3.54Å; W127-M181 HydrophobicContact CG-SD 3.95Å; W127-M181 HydrophobicContact CZ2-CE 4.24Å; Y130-M181 VanDerWaalsContact OH-CG 3.23Å; Y130-M181 WeakPolarHBondContact OH-CG 3.48Å; N170-M181 HydrophobicContact CB-CE 4.2Å; C172-M181 HydrophobicContact CB-SD 3.87Å; L177-M181 HydrophobicContact CD1-CG 4.09Å; L177-M181 HydrophobicContact CD1-SD 4.23Å; L177-M181 HydrophobicContact CG-CG 4.28Å; L177-M181 HydrophobicContact CG-SD 3.87Å; L177-M181 VanDerWaalsContact O-CB 3.31Å; L177-M181 WeakPolarHBondContact O-CB 3.4Å; L177-M181 WeakPolarHBondContact O-CG 3.5Å; L177-M181 PolarHBondContact O-N 3.13Å; K178-M181 PolarHBondContact O-N 2.95Å; M181-M183 PolarHBondContact O-N 3.42Å; M181-K184 CarbonylContact O-C 3.58Å; M181-K184 VanDerWaalsContact O-C 3.3Å; M181-K184 WeakPolarHBondContact O-CA 3.46Å; M181-K184 WeakPolarHBondContact O-CB 2.99Å; M181-K184 PolarHBondContact O-N 3.28Å; M181-S185 PolarHBondContact O-N 2.95Å; M181-I186 CarbonylContact C-O 3.25Å; M181-I186 VanDerWaalsContact C-O 3.23Å; M181-I186 HydrophobicContact CB-CB 4.23Å; M181-I186 HydrophobicContact CE-CB 4.22Å; M181-I186 HydrophobicContact CE-CG2 3.48Å; M181-I186 VanDerWaalsContact CE-CG2 3.48Å; M181-I186 PolarHBondContact O-N 3.03Å; M181-A188 HydrophobicContact CE-CB 3.77Å; M181-A188 HydrophobicContact SD-CB 4.12Å
182R97.2Very high97Very high155 Ų15551.1 Ų51.159%0.58524%0.244SC*.Hα-helixtrans-63.9-39.7177.1-171.3175.1-167.4-155.5-4112.1K178 Y179 D180 K184 S185 I186 E187K178-R182 WeakPolarHBondContact O-CB 3.28Å; K178-R182 PolarHBondContact O-N 3Å; Y179-R182 WeakPolarHBondContact O-CB 3.45Å; Y179-R182 PolarHBondContact O-N 3.44Å; D180-R182 VanDerWaalsContact C-N 3.31Å; D180-R182 PolarHBondContact O-N 2.93Å; R182-K184 PolarHBondContact O-N 2.89Å; R182-S185 WeakPolarHBondContact O-CA 3.4Å; R182-S185 PolarHBondContact O-N 3.06Å; R182-I186 PolarHBondContact N-O 3.3Å; R182-E187 WeakPolarHBondContact CG-OE1 3.34Å; R182-E187 IonicContact NE-OE1 3.9Å; R182-E187 PolarHBondContact NE-OE1 2.79Å
183M96.4Very high96.9Very high132 Ų13252 Ų5265%0.6525%0.249SC*.Hα-helixtrans-61.3-25.5172.4-64.3-57.5-65.800112.3Y179 D180 M181 S185Y179-M183 HydrophobicContact CE1-CG 4.16Å; Y179-M183 WeakPolarHBondContact O-CG 3.39Å; Y179-M183 PolarHBondContact O-N 3.31Å; Y179-M183 VanDerWaalsContact O-N 3.09Å; D180-M183 WeakPolarHBondContact O-CB 3.37Å; D180-M183 PolarHBondContact O-N 3.15Å; M181-M183 PolarHBondContact O-N 3.42Å; M183-S185 VanDerWaalsContact C-N 3.34Å
184K95.3Very high96.8Very high31 Ų3155.7 Ų55.714%0.13526%0.263CS..THydrogen-bonded Turntrans-90.712.2172.8-69.3152.3168.7136.20113.4V154 S158 D180 M181 R182 I186V154-K184 HydrophobicContact CG1-CB 4.02Å; V154-K184 HydrophobicContact CG1-CD 3.53Å; V154-K184 HydrophobicContact CG1-CG 3.77Å; S158-K184 WeakPolarHBondContact CB-O 3.39Å; S158-K184 PolarHBondContact OG-O 2.82Å; D180-K184 PolarHBondContact O-N 2.51Å; D180-K184 IonicContact OD1-NZ 3.42Å; D180-K184 PolarHBondContact OD1-NZ 3.13Å; D180-K184 IonicContact OD2-NZ 2.57Å; D180-K184 PolarHBondContact OD2-NZ 3.37Å; M181-K184 CarbonylContact O-C 3.58Å; M181-K184 VanDerWaalsContact O-C 3.3Å; M181-K184 WeakPolarHBondContact O-CA 3.46Å; M181-K184 WeakPolarHBondContact O-CB 2.99Å; M181-K184 PolarHBondContact O-N 3.28Å; R182-K184 PolarHBondContact O-N 2.89Å; K184-I186 VanDerWaalsContact C-N 3.29Å; K184-I186 PolarHBondContact O-N 3.04Å
185S96.3Very high96.6Very high82 Ų8255.8 Ų55.857%0.57326%0.263SS*.THydrogen-bonded Turntrans61.131.4-177.9-53.50000114.5M181 R182 M183M181-S185 PolarHBondContact O-N 2.95Å; R182-S185 WeakPolarHBondContact O-CA 3.4Å; R182-S185 PolarHBondContact O-N 3.06Å; M183-S185 VanDerWaalsContact C-N 3.34Å
186I96.2Very high96.2Very high3 Ų350.9 Ų50.92%0.01525%0.247CC..  trans-114.5108.7173.7-54.2169.2000108.1W127 A157 M181 R182 K184W127-I186 HydrophobicContact CH2-CD1 4.21Å; W127-I186 HydrophobicContact CZ2-CD1 4.37Å; A157-I186 HydrophobicContact CB-CD1 3.7Å; A157-I186 HydrophobicContact CB-CG1 4.48Å; M181-I186 CarbonylContact C-O 3.25Å; M181-I186 VanDerWaalsContact C-O 3.23Å; M181-I186 HydrophobicContact CB-CB 4.23Å; M181-I186 HydrophobicContact CE-CB 4.22Å; M181-I186 HydrophobicContact CE-CG2 3.48Å; M181-I186 VanDerWaalsContact CE-CG2 3.48Å; M181-I186 PolarHBondContact O-N 3.03Å; R182-I186 PolarHBondContact N-O 3.3Å; K184-I186 VanDerWaalsContact C-N 3.29Å; K184-I186 PolarHBondContact O-N 3.04Å
187E96.4Very high95.9Very high112 Ų11254.5 Ų54.552%0.52326%0.26SS..  trans-80.7131.2176-72.4-67154.700110.6N170 R182N170-E187 WeakPolarHBondContact CB-O 3.48Å; N170-E187 PolarHBondContact ND2-O 3.48Å; R182-E187 WeakPolarHBondContact CG-OE1 3.34Å; R182-E187 IonicContact NE-OE1 3.9Å; R182-E187 PolarHBondContact NE-OE1 2.79Å
188A97Very high95.6Very high6 Ų658.4 Ų58.45%0.0528%0.278CS..  trans-140.6152-178.100000113N170 C172 K178 M181N170-A188 HydrophobicContact CB-CB 3.75Å; N170-A188 WeakPolarHBondContact O-CA 3.39Å; C172-A188 HydrophobicContact CB-CB 4.29Å; K178-A188 VanDerWaalsContact CD-O 3.26Å; K178-A188 WeakPolarHBondContact CD-O 3.35Å; K178-A188 WeakPolarHBondContact CE-O 3.38Å; K178-A188 PolarHBondContact NZ-O 3.3Å; M181-A188 HydrophobicContact CE-CB 3.77Å; M181-A188 HydrophobicContact SD-CB 4.12Å
189T97.4Very high95.4Very high57 Ų5755 Ų5535%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-96.3136.1170.7-61.20000109.8N170 V171 C172 Y191 V456N170-T189 PolarHBondContact O-N 2.95Å; V171-T189 CarbonylContact C-O 3.52Å; V171-T189 WeakPolarHBondContact CA-O 3.08Å; C172-T189 PolarHBondContact N-O 2.86Å; T189-Y191 PolarHBondContact O-N 3.11Å; T189-V456 HydrophobicContact CG2-CG2 3.96Å
190V97.9Very high95.2Very high22 Ų2253.8 Ų53.813%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-75.6126176.9-174.40000109.3C172 K175 K178 Y192 T452C172-V190 CarbonylContact O-C 3.54Å; C172-V190 WeakPolarHBondContact O-CA 3.29Å; K175-V190 HydrophobicContact CG-CG2 4.06Å; K178-V190 HydrophobicContact CB-CG2 3.91Å; K178-V190 HydrophobicContact CD-CG2 3.55Å; K178-V190 HydrophobicContact CG-CG2 4.35Å; V190-Y192 HydrophobicContact CG1-CD1 4.26Å; V190-Y192 HydrophobicContact CG1-CD2 3.81Å; V190-Y192 HydrophobicContact CG1-CE1 3.98Å; V190-Y192 HydrophobicContact CG1-CE2 3.48Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.48Å; V190-Y192 HydrophobicContact CG1-CG 4.18Å; V190-T452 WeakPolarHBondContact O-CG2 3.39Å
191Y96.6Very high95Very high9 Ų954.8 Ų54.84%0.03527%0.27CS..  trans-132.890.8173172.4-133000108.6R20 Q24 C172 T189 Y448 W449 A453R20-Y191 PolarHBondContact NH1-O 3.11Å; R20-Y191 PolarHBondContact NH2-O 3.03Å; Q24-Y191 HydrophobicContact CG-CE1 4.16Å; C172-Y191 CarbonylContact O-C 3.58Å; C172-Y191 PolarHBondContact O-N 3.45Å; T189-Y191 PolarHBondContact O-N 3.11Å; Y191-Y448 HydrophobicContact CD2-CD1 4.1Å; Y191-Y448 AromaticContact CD2-CE1 3.62Å; Y191-Y448 HydrophobicContact CD2-CE1 3.62Å; Y191-Y448 AromaticContact CE2-CD1 3.81Å; Y191-Y448 HydrophobicContact CE2-CD1 3.81Å; Y191-Y448 AromaticContact CE2-CE1 3.8Å; Y191-Y448 HydrophobicContact CE2-CE1 3.8Å; Y191-W449 HydrophobicContact CE2-CB 4.1Å; Y191-W449 AromaticContact CZ-CD1 3.62Å; Y191-A453 HydrophobicContact CD1-CB 4Å; Y191-A453 HydrophobicContact CD2-CB 3.98Å; Y191-A453 HydrophobicContact CE1-CB 4.27Å; Y191-A453 HydrophobicContact CE2-CB 4.24Å; Y191-A453 HydrophobicContact CG-CB 3.89Å
192Y96Very high95Very high33 Ų3355.1 Ų55.113%0.12927%0.272CS..  trans-64.4151.4178.7-67.8-72.6000112V173 K175 V190 L354 E378 Y448V173-Y192 WeakPolarHBondContact O-CD1 3.26Å; V173-Y192 WeakPolarHBondContact O-CE1 3.33Å; K175-Y192 VanDerWaalsContact CD-OH 3.23Å; K175-Y192 WeakPolarHBondContact CD-OH 2.98Å; K175-Y192 VanDerWaalsContact CE-OH 3.29Å; K175-Y192 WeakPolarHBondContact CE-OH 2.99Å; K175-Y192 WeakPolarHBondContact CG-OH 3.47Å; V190-Y192 HydrophobicContact CG1-CD1 4.26Å; V190-Y192 HydrophobicContact CG1-CD2 3.81Å; V190-Y192 HydrophobicContact CG1-CE1 3.98Å; V190-Y192 HydrophobicContact CG1-CE2 3.48Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.48Å; V190-Y192 HydrophobicContact CG1-CG 4.18Å; Y192-L354 HydrophobicContact CD1-CD1 3.75Å; Y192-L354 HydrophobicContact CE1-CD1 3.86Å; Y192-E378 HydrophobicContact CE1-CB 4.42Å; Y192-E378 WeakPolarHBondContact CE1-OE2 3.17Å; Y192-E378 PolarHBondContact OH-OE2 3.45Å; Y192-Y448 WeakPolarHBondContact CD2-OH 3.49Å; Y192-Y448 PolarHBondContact N-OH 2.8Å; Y192-Y448 VanDerWaalsContact O-CE1 3.31Å; Y192-Y448 WeakPolarHBondContact O-CE1 3.45Å
193D94.9Very high94.8Very high18 Ų1850.5 Ų50.510%0.09626%0.262CS..  trans-65.7140.8162.3-70.4-59.5000110.7R20 M356 V359R20-D193 VanDerWaalsContact CD-OD1 3.29Å; R20-D193 WeakPolarHBondContact CD-OD1 3.47Å; R20-D193 IonicContact CZ-OD1 3.49Å; R20-D193 IonicContact NE-OD1 3.56Å; R20-D193 IonicContact NH1-OD1 3.58Å; R20-D193 PolarHBondContact NH1-OD1 2.61Å; R20-D193 IonicContact NH1-OD2 2.82Å; R20-D193 PolarHBondContact NH1-OD2 3.08Å; D193-M356 HydrophobicContact CB-CG 4.27Å; D193-V359 HydrophobicContact CB-CG2 4.09Å
194R94.2Very high94.7Very high81 Ų8144.9 Ų44.931%0.30624%0.235SC..  trans-130.8145.5174.9-69-61.9-170-1753109A196 Y448R194-A196 PolarHBondContact O-N 3.46Å; R194-Y448 HydrophobicContact CB-CD1 4.29Å; R194-Y448 HydrophobicContact CG-CD1 3.25Å; R194-Y448 HydrophobicContact CG-CD2 4.4Å; R194-Y448 HydrophobicContact CG-CE1 3.83Å; R194-Y448 HydrophobicContact CG-CG 3.59Å
195P93.1Very high94.6Very high1 Ų147.4 Ų47.41%0.00625%0.25CS..  trans-61.6140.2176.927.3-32.9000109.5F199 V359 L442 G445P195-F199 HydrophobicContact CB-CB 3.9Å; P195-V359 HydrophobicContact CB-CG1 4.35Å; P195-V359 HydrophobicContact CG-CG1 4.46Å; P195-L442 HydrophobicContact CG-CD2 3.68Å; P195-G445 PolarHBondContact O-N 3.28Å
196A90.4Very high94.5Very high30 Ų3046.2 Ų46.225%0.24824%0.239CC..  trans-66.2166.517000000110.5R194 E198 F199 R444R194-A196 PolarHBondContact O-N 3.46Å; A196-E198 HydrophobicContact CB-CG 3.96Å; A196-E198 PolarHBondContact O-N 3.42Å; A196-F199 HydrophobicContact CB-CD2 3.99Å; A196-F199 HydrophobicContact CB-CE2 4.35Å; A196-F199 PolarHBondContact O-N 3.46Å; A196-F199 VanDerWaalsContact O-N 3.14Å; A196-R444 PolarHBondContact O-NH1 2.92Å
197E90.3Very high94.5Very high99 Ų9946.1 Ų46.146%0.46324%0.239SC..THydrogen-bonded Turntrans-63.6-26.4-176.4-58.3-58.8164.600113.2F199 R444E197-F199 VanDerWaalsContact C-N 3.35Å; E197-R444 WeakPolarHBondContact OE1-CB 3.41Å; E197-R444 WeakPolarHBondContact OE2-CD 3.42Å
198E91.1Very high94.5Very high83 Ų8341.1 Ų41.139%0.38822%0.216SC..THydrogen-bonded Turntrans-71.5-23.4176.757.6-169.4-124.700114.1A196 K200 W329 P333A196-E198 HydrophobicContact CB-CG 3.96Å; A196-E198 PolarHBondContact O-N 3.42Å; E198-K200 VanDerWaalsContact C-N 3.27Å; E198-K200 PolarHBondContact O-N 3.01Å; E198-W329 WeakPolarHBondContact OE1-CZ2 3.39Å; E198-W329 PolarHBondContact OE1-NE1 2.67Å; E198-P333 HydrophobicContact CB-CG 4.39Å; E198-P333 HydrophobicContact CG-CG 4.04Å; E198-P333 WeakPolarHBondContact O-CB 3.49Å
199F94.4Very high94.4Very high4 Ų444.8 Ų44.82%0.01824%0.24CC..  trans-79.377.9175.5-72.7-90.7000109.8P195 A196 E197 W329 Y332 P333 L336 D360 G363 V364 R444P195-F199 HydrophobicContact CB-CB 3.9Å; A196-F199 HydrophobicContact CB-CD2 3.99Å; A196-F199 HydrophobicContact CB-CE2 4.35Å; A196-F199 PolarHBondContact O-N 3.46Å; A196-F199 VanDerWaalsContact O-N 3.14Å; E197-F199 VanDerWaalsContact C-N 3.35Å; F199-W329 HydrophobicContact CE2-CH2 4.4Å; F199-W329 HydrophobicContact CE2-CZ2 4.32Å; F199-W329 HydrophobicContact CZ-CH2 4.38Å; F199-Y332 AromaticContact CE1-CD1 3.9Å; F199-Y332 HydrophobicContact CE1-CD1 3.9Å; F199-Y332 AromaticContact CE1-CE1 3.69Å; F199-Y332 HydrophobicContact CE1-CE1 3.69Å; F199-Y332 AromaticContact CZ-CD1 3.87Å; F199-Y332 HydrophobicContact CZ-CD1 3.87Å; F199-Y332 AromaticContact CZ-CE1 3.8Å; F199-Y332 HydrophobicContact CZ-CE1 3.8Å; F199-P333 HydrophobicContact CD1-CB 3.94Å; F199-P333 HydrophobicContact CD1-CG 4.29Å; F199-P333 HydrophobicContact CD2-CG 4.37Å; F199-P333 HydrophobicContact CE1-CB 4.07Å; F199-P333 HydrophobicContact CE1-CG 4Å; F199-P333 HydrophobicContact CE2-CG 4.1Å; F199-P333 HydrophobicContact CG-CB 4.19Å; F199-P333 HydrophobicContact CG-CG 4.47Å; F199-P333 HydrophobicContact CZ-CB 4.45Å; F199-P333 HydrophobicContact CZ-CG 3.92Å; F199-L336 HydrophobicContact CD1-CD1 4.29Å; F199-L336 HydrophobicContact CE1-CD1 3.89Å; F199-D360 HydrophobicContact CD1-CB 3.7Å; F199-D360 HydrophobicContact CE1-CB 3.46Å; F199-D360 VanDerWaalsContact CE1-CB 3.46Å; F199-D360 VanDerWaalsContact CE1-CG 3.44Å; F199-D360 HydrophobicContact CZ-CB 4.2Å; F199-G363 CarbonylContact O-C 3.59Å; F199-G363 VanDerWaalsContact O-C 3.25Å; F199-V364 HydrophobicContact CB-CG1 3.93Å; F199-V364 HydrophobicContact CD1-CG1 4.02Å; F199-V364 HydrophobicContact CG-CG1 4.46Å; F199-R444 PolarHBondContact O-NH1 2.67Å; F199-R444 PolarHBondContact O-NH2 3.2Å
200K94Very high94.3Very high132 Ų13242.6 Ų42.657%0.57423%0.226SC*.  trans-122.4160.7177.864.9-175178.8179.20110.8E198 T202 V364E198-K200 VanDerWaalsContact C-N 3.27Å; E198-K200 PolarHBondContact O-N 3.01Å; K200-T202 PolarHBondContact O-N 3.27Å; K200-V364 WeakPolarHBondContact O-CG1 3.45Å
201P93.8Very high94.3Very high60 Ų6041.5 Ų41.539%0.3922%0.219SC..PPolyproline II helixtrans-53.2140.9175.2-25.536.5000110.9P203 N365P201-P203 WeakPolarHBondContact O-CD 3.47Å; P201-N365 HydrophobicContact CG-CB 4.07Å; P201-N365 VanDerWaalsContact CG-CG 3.47Å; P201-N365 WeakPolarHBondContact CG-ND2 3.47Å
202T95.2Very high94.2Very high8 Ų843 Ų435%0.04923%0.228CC..PPolyproline II helixtrans-97.5116.3-176.6-65.70000110.6K200 V206 A207 V334 G337K200-T202 PolarHBondContact O-N 3.27Å; T202-V206 HydrophobicContact CG2-CB 4.19Å; T202-V206 HydrophobicContact CG2-CG1 4.29Å; T202-A207 HydrophobicContact CG2-CB 4.04Å; T202-V334 HydrophobicContact CG2-CG1 3.58Å; T202-V334 WeakPolarHBondContact OG1-CA 3.46Å; T202-V334 PolarHBondContact OG1-O 3.25Å; T202-G337 WeakPolarHBondContact OG1-CA 3.23Å
203P93.6Very high94.1Very high57 Ų5745.1 Ų45.137%0.3724%0.238SC..PPolyproline II helixtrans-61.6152.9172.3-25.337.9000112.5P201 D205 V206 A207P201-P203 WeakPolarHBondContact O-CD 3.47Å; P203-D205 VanDerWaalsContact C-N 3.33Å; P203-D205 WeakPolarHBondContact CB-OD1 2.93Å; P203-D205 PolarHBondContact O-N 2.82Å; P203-V206 HydrophobicContact CB-CG2 4.25Å; P203-V206 HydrophobicContact CG-CG2 4.36Å; P203-V206 PolarHBondContact O-N 3.08Å; P203-A207 PolarHBondContact O-N 3.06Å
204V93.5Very high94.1Very high14 Ų1444.4 Ų44.49%0.08523%0.234CC..Hα-helixtrans-64.9-33.8-173.6-165.70000113.4A207 H208 T234 P248 W250 E416V204-A207 PolarHBondContact O-N 3.15Å; V204-H208 WeakPolarHBondContact O-CB 3.44Å; V204-H208 PolarHBondContact O-N 3.41Å; V204-T234 HydrophobicContact CG1-CG2 3.91Å; V204-P248 HydrophobicContact CG1-CB 4.36Å; V204-P248 WeakPolarHBondContact CG1-O 3.29Å; V204-W250 HydrophobicContact CG1-CD2 4.47Å; V204-W250 HydrophobicContact CG1-CG 4.34Å; V204-W250 VanDerWaalsContact CG2-NE1 3.28Å; V204-E416 HydrophobicContact CG2-CG 4.27Å
205D93.5Very high94.1Very high85 Ų8541.2 Ų41.246%0.45522%0.224SC..Hα-helixtrans-65.2-41.9175.563.4-50.2000112.1P203 H208 C209 P248P203-D205 VanDerWaalsContact C-N 3.33Å; P203-D205 WeakPolarHBondContact CB-OD1 2.93Å; P203-D205 PolarHBondContact O-N 2.82Å; D205-H208 PolarHBondContact O-N 3.09Å; D205-C209 PolarHBondContact O-N 3.01Å; D205-C209 VanDerWaalsContact O-N 3.1Å; D205-C209 PolarHBondContact O-SG 3.45Å; D205-C209 VanDerWaalsContact O-SG 3.32Å; D205-P248 HydrophobicContact CB-CG 4.33Å
206V95.3Very high93.9Very high57 Ų5747.3 Ų47.335%0.34526%0.256SS..Hα-helixtrans-67.8-42174.7-174.80000110.4T202 P203 H208 C209 L210 V334T202-V206 HydrophobicContact CG2-CB 4.19Å; T202-V206 HydrophobicContact CG2-CG1 4.29Å; P203-V206 HydrophobicContact CB-CG2 4.25Å; P203-V206 HydrophobicContact CG-CG2 4.36Å; P203-V206 PolarHBondContact O-N 3.08Å; V206-H208 VanDerWaalsContact C-N 3.35Å; V206-H208 PolarHBondContact O-N 3.23Å; V206-C209 PolarHBondContact O-N 3.46Å; V206-L210 PolarHBondContact O-N 3.33Å; V206-V334 HydrophobicContact CG1-CG1 3.6Å; V206-V334 HydrophobicContact CG1-CG2 4.45Å
207A96.2Very high94Very high0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-59.2-45.3174.500000111.6T202 P203 V204 L210 F211 W250 C338T202-A207 HydrophobicContact CG2-CB 4.04Å; P203-A207 PolarHBondContact O-N 3.06Å; V204-A207 PolarHBondContact O-N 3.15Å; A207-L210 PolarHBondContact O-N 3.43Å; A207-F211 HydrophobicContact CB-CD2 4.39Å; A207-F211 HydrophobicContact CB-CE2 4.08Å; A207-F211 WeakPolarHBondContact O-CD2 3.48Å; A207-F211 WeakPolarHBondContact O-CG 3.42Å; A207-F211 PolarHBondContact O-N 3.3Å; A207-W250 HydrophobicContact CB-CH2 4.16Å; A207-W250 HydrophobicContact CB-CZ2 4.18Å; A207-C338 WeakPolarHBondContact CB-SG 3.41Å
208H95.2Very high94.1Very high8 Ų849.4 Ų49.44%0.03726%0.259CS..Hα-helixtrans-58.6-50.2178.4-175.179.2000111.5V204 D205 V206 L210 F211 L212 C228 T234 P248V204-H208 WeakPolarHBondContact O-CB 3.44Å; V204-H208 PolarHBondContact O-N 3.41Å; D205-H208 PolarHBondContact O-N 3.09Å; V206-H208 VanDerWaalsContact C-N 3.35Å; V206-H208 PolarHBondContact O-N 3.23Å; H208-L210 VanDerWaalsContact C-N 3.32Å; H208-L210 PolarHBondContact O-N 3.11Å; H208-F211 PolarHBondContact O-N 2.78Å; H208-L212 WeakPolarHBondContact O-CG 3.31Å; H208-L212 PolarHBondContact O-N 3.21Å; H208-C228 PolarHBondContact NE2-O 3.38Å; H208-C228 VanDerWaalsContact NE2-O 3.13Å; H208-T234 PolarHBondContact ND1-OG1 3.08Å; H208-P248 HydrophobicContact CB-CB 3.72Å; H208-P248 HydrophobicContact CB-CG 3.86Å
209C95.4Very high94.2Very high83 Ų8349 Ų4956%0.56127%0.27SS*.Hα-helixtrans-58-43.6176.3-69.70000112.2D205 V206 L212 K213D205-C209 PolarHBondContact O-N 3.01Å; D205-C209 VanDerWaalsContact O-N 3.1Å; D205-C209 PolarHBondContact O-SG 3.45Å; D205-C209 VanDerWaalsContact O-SG 3.32Å; V206-C209 PolarHBondContact O-N 3.46Å; C209-L212 PolarHBondContact O-N 3.29Å; C209-K213 PolarHBondContact O-N 3.18Å
210L96.4Very high94.2Very high10 Ų1049.8 Ų49.85%0.05228%0.275CS..Hα-helixtrans-65.3-44.4178178.561.5000111.7V206 A207 H208 L212 K213 L214 D331 V334 F335V206-L210 PolarHBondContact O-N 3.33Å; A207-L210 PolarHBondContact O-N 3.43Å; H208-L210 VanDerWaalsContact C-N 3.32Å; H208-L210 PolarHBondContact O-N 3.11Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 3.38Å; L210-K213 WeakPolarHBondContact O-CB 3.39Å; L210-K213 PolarHBondContact O-N 3.11Å; L210-L214 HydrophobicContact CD1-CD1 4.04Å; L210-L214 HydrophobicContact CD1-CG 4.01Å; L210-L214 HydrophobicContact CD2-CD1 4.47Å; L210-L214 HydrophobicContact CG-CD1 3.92Å; L210-L214 HydrophobicContact CG-CG 4.29Å; L210-L214 WeakPolarHBondContact O-CB 3.42Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.33Å; L210-D331 HydrophobicContact CD1-CB 3.89Å; L210-V334 HydrophobicContact CB-CG1 4.31Å; L210-V334 HydrophobicContact CD2-CB 3.95Å; L210-V334 HydrophobicContact CD2-CG1 3.61Å; L210-F335 HydrophobicContact CD2-CB 3.81Å; L210-F335 HydrophobicContact CD2-CD2 4.12Å; L210-F335 HydrophobicContact CD2-CG 4.49Å
211F96.4Very high94.2Very high0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-62.7-36.4177.8-71-47.3000112.3A207 H208 L214 S215 F221 T231 F233 T234 W250 L257 F335 C338A207-F211 HydrophobicContact CB-CD2 4.39Å; A207-F211 HydrophobicContact CB-CE2 4.08Å; A207-F211 WeakPolarHBondContact O-CD2 3.48Å; A207-F211 WeakPolarHBondContact O-CG 3.42Å; A207-F211 PolarHBondContact O-N 3.3Å; H208-F211 PolarHBondContact O-N 2.78Å; F211-L214 PolarHBondContact O-N 3.34Å; F211-S215 VanDerWaalsContact O-CB 3.31Å; F211-S215 WeakPolarHBondContact O-CB 3.3Å; F211-S215 PolarHBondContact O-N 2.87Å; F211-F221 AromaticContact CD1-CD1 3.71Å; F211-F221 HydrophobicContact CD1-CD1 3.71Å; F211-F221 HydrophobicContact CD1-CE1 4.26Å; F211-F221 HydrophobicContact CD1-CG 4.34Å; F211-F221 AromaticContact CE1-CD1 4Å; F211-F221 HydrophobicContact CE1-CD1 4Å; F211-F221 HydrophobicContact CE1-CE1 4.16Å; F211-T231 HydrophobicContact CB-CG2 3.78Å; F211-F233 HydrophobicContact CD1-CD2 4.1Å; F211-F233 HydrophobicContact CD2-CB 3.96Å; F211-F233 HydrophobicContact CD2-CD2 4.46Å; F211-F233 AromaticContact CE1-CD2 3.87Å; F211-F233 HydrophobicContact CE1-CD2 3.87Å; F211-F233 HydrophobicContact CE1-CE2 4.31Å; F211-F233 HydrophobicContact CE1-CG 4.32Å; F211-F233 HydrophobicContact CE2-CB 3.59Å; F211-F233 HydrophobicContact CE2-CD2 4.24Å; F211-F233 HydrophobicContact CE2-CG 4.02Å; F211-F233 HydrophobicContact CG-CD2 4.4Å; F211-F233 HydrophobicContact CZ-CB 3.99Å; F211-F233 AromaticContact CZ-CD2 3.92Å; F211-F233 HydrophobicContact CZ-CD2 3.92Å; F211-F233 AromaticContact CZ-CG 3.89Å; F211-F233 HydrophobicContact CZ-CG 3.89Å; F211-T234 HydrophobicContact CD2-CG2 4.22Å; F211-T234 HydrophobicContact CE2-CG2 4.28Å; F211-W250 AromaticContact CE2-CH2 3.97Å; F211-W250 HydrophobicContact CE2-CH2 3.97Å; F211-W250 AromaticContact CE2-CZ3 3.86Å; F211-W250 HydrophobicContact CE2-CZ3 3.86Å; F211-W250 HydrophobicContact CZ-CH2 4.36Å; F211-W250 HydrophobicContact CZ-CZ3 4.29Å; F211-L257 HydrophobicContact CE1-CD2 4.05Å; F211-L257 HydrophobicContact CZ-CD2 3.89Å; F211-F335 HydrophobicContact CE1-CE2 4.24Å; F211-C338 HydrophobicContact CE1-CB 4.41Å; F211-C338 HydrophobicContact CE2-CB 4.33Å; F211-C338 HydrophobicContact CZ-CB 3.7Å
212L94.5Very high94Very high40 Ų4045.7 Ų45.721%0.20925%0.248CC..Hα-helixtrans-61-51.3171.6-71.1173.3000111.1H208 C209 L210 L214 S215 C228 T231H208-L212 WeakPolarHBondContact O-CG 3.31Å; H208-L212 PolarHBondContact O-N 3.21Å; C209-L212 PolarHBondContact O-N 3.29Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 3.38Å; L212-L214 VanDerWaalsContact C-N 3.27Å; L212-L214 PolarHBondContact O-N 3.2Å; L212-S215 WeakPolarHBondContact O-CB 3.37Å; L212-S215 PolarHBondContact O-N 3.41Å; L212-S215 VanDerWaalsContact O-N 3.07Å; L212-S215 PolarHBondContact O-OG 2.99Å; L212-C228 HydrophobicContact CD1-CB 4.43Å; L212-T231 HydrophobicContact CD2-CG2 3.79Å; L212-T231 HydrophobicContact CG-CG2 3.9Å
213K94.6Very high93.5Very high78 Ų7846.3 Ų46.334%0.33925%0.251SS..Hα-helixtrans-54.3-43.6175.6-178.5-174178.6-172.50111.8C209 L210 E328 D331C209-K213 PolarHBondContact O-N 3.18Å; L210-K213 WeakPolarHBondContact O-CB 3.39Å; L210-K213 PolarHBondContact O-N 3.11Å; K213-E328 IonicContact NZ-OE2 2.81Å; K213-E328 PolarHBondContact NZ-OE2 2.81Å; K213-D331 WeakPolarHBondContact CE-OD2 3.4Å; K213-D331 IonicContact NZ-OD1 3.19Å; K213-D331 PolarHBondContact NZ-OD1 3.32Å; K213-D331 IonicContact NZ-OD2 2.67Å; K213-D331 PolarHBondContact NZ-OD2 3.21Å
214L95.1Very high92.7Very high3 Ų353.6 Ų53.62%0.01628%0.277CS..Hα-helixtrans-75-24.5-179.3-66.8177.2000113L210 F211 L212 D216 Q217 Y218 F221 L327 F335L210-L214 HydrophobicContact CD1-CD1 4.04Å; L210-L214 HydrophobicContact CD1-CG 4.01Å; L210-L214 HydrophobicContact CD2-CD1 4.47Å; L210-L214 HydrophobicContact CG-CD1 3.92Å; L210-L214 HydrophobicContact CG-CG 4.29Å; L210-L214 WeakPolarHBondContact O-CB 3.42Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.33Å; F211-L214 PolarHBondContact O-N 3.34Å; L212-L214 VanDerWaalsContact C-N 3.27Å; L212-L214 PolarHBondContact O-N 3.2Å; L214-D216 PolarHBondContact O-N 3.3Å; L214-Q217 PolarHBondContact O-N 2.83Å; L214-Q217 VanDerWaalsContact O-N 3.11Å; L214-Y218 HydrophobicContact CD2-CD2 4.36Å; L214-Y218 HydrophobicContact CD2-CE2 4.28Å; L214-Y218 PolarHBondContact O-N 3.17Å; L214-F221 HydrophobicContact CB-CD2 3.63Å; L214-F221 HydrophobicContact CB-CE2 4.1Å; L214-F221 HydrophobicContact CB-CG 4.23Å; L214-F221 HydrophobicContact CD1-CD2 4.45Å; L214-F221 HydrophobicContact CD1-CE2 4.23Å; L214-L327 HydrophobicContact CD1-CD2 4.14Å; L214-L327 HydrophobicContact CD2-CD2 3.77Å; L214-F335 HydrophobicContact CD1-CD2 3.61Å; L214-F335 HydrophobicContact CD1-CE2 3.76Å
215S93.3Very high91.8Very high13 Ų1358.4 Ų58.49%0.09130%0.302CS..Hα-helixtrans-68.7-20.3-179.575.20000114.2F211 L212 Q217 R222F211-S215 VanDerWaalsContact O-CB 3.31Å; F211-S215 WeakPolarHBondContact O-CB 3.3Å; F211-S215 PolarHBondContact O-N 2.87Å; L212-S215 WeakPolarHBondContact O-CB 3.37Å; L212-S215 PolarHBondContact O-N 3.41Å; L212-S215 VanDerWaalsContact O-N 3.07Å; L212-S215 PolarHBondContact O-OG 2.99Å; S215-Q217 VanDerWaalsContact C-N 3.35Å; S215-R222 PolarHBondContact O-NE 2.95Å; S215-R222 PolarHBondContact O-NH2 3.42Å
216D89.8Confident90.7Very high129 Ų12961 Ų6169%0.6932%0.315SS*.THydrogen-bonded Turntrans-70.7-34.2172-67.6-28000111.5L214L214-D216 PolarHBondContact O-N 3.3Å
217Q91.7Very high90.1Very high125 Ų12560.4 Ų60.458%0.58431%0.314SS*.THydrogen-bonded Turntrans-96.2-35.4-176.3-61.9-178.630.200112.7L214 S215L214-Q217 PolarHBondContact O-N 2.83Å; L214-Q217 VanDerWaalsContact O-N 3.11Å; S215-Q217 VanDerWaalsContact C-N 3.35Å
218Y94.2Very high89.5Confident49 Ų4965.2 Ų65.219%0.19235%0.347CS..  trans-130.1107.7-175.5-49.5-86.9000109.7L214 V220 F221 V323 L325 W326L214-Y218 HydrophobicContact CD2-CD2 4.36Å; L214-Y218 HydrophobicContact CD2-CE2 4.28Å; L214-Y218 PolarHBondContact O-N 3.17Å; Y218-V220 PolarHBondContact O-N 2.96Å; Y218-F221 HydrophobicContact CD2-CD2 4.49Å; Y218-F221 HydrophobicContact CD2-CE2 4.24Å; Y218-F221 HydrophobicContact CG-CE2 4.26Å; Y218-F221 PolarHBondContact O-N 3.37Å; Y218-F221 VanDerWaalsContact O-N 3.1Å; Y218-V323 HydrophobicContact CD1-CG2 3.78Å; Y218-V323 HydrophobicContact CE1-CG2 4.47Å; Y218-V323 HydrophobicContact CG-CG2 4.21Å; Y218-L325 HydrophobicContact CD1-CB 4.2Å; Y218-L325 HydrophobicContact CD2-CB 4.36Å; Y218-L325 HydrophobicContact CE1-CB 3.63Å; Y218-L325 HydrophobicContact CE2-CB 3.84Å; Y218-L325 VanDerWaalsContact CZ-CB 3.44Å; Y218-W326 PolarHBondContact OH-N 2.95Å; Y218-W326 PolarHBondContact OH-O 2.76Å
219A92.5Very high89.2Confident75 Ų7567.9 Ų67.962%0.6236%0.356SS*.G310 helixtrans-55.8-24.8-178.300000113.6F221 R222A219-F221 PolarHBondContact O-N 3.35Å; A219-F221 VanDerWaalsContact O-N 3.13Å; A219-R222 VanDerWaalsContact O-CB 3.29Å; A219-R222 WeakPolarHBondContact O-CB 3.45Å; A219-R222 PolarHBondContact O-N 3.43Å
220V93.4Very high89Confident19 Ų1966.6 Ų66.612%0.11534%0.341CS..G310 helixtrans-56.6-26.6177.374.80000113.4Y218 R232 V295 E321 V323Y218-V220 PolarHBondContact O-N 2.96Å; V220-R232 WeakPolarHBondContact O-CD 3.33Å; V220-R232 PolarHBondContact O-NH1 2.97Å; V220-V295 HydrophobicContact CG2-CG1 3.76Å; V220-V295 HydrophobicContact CG2-CG2 4Å; V220-E321 HydrophobicContact CG2-CB 4.45Å; V220-V323 HydrophobicContact CG1-CB 3.9Å; V220-V323 HydrophobicContact CG1-CG1 3.98Å; V220-V323 HydrophobicContact CG1-CG2 3.9Å
221F94Very high88.8Confident0 Ų066.1 Ų66.10%034%0.339CS..G310 helixtrans-91.3-11.3179.1-59.1-67.3000113.3F211 L214 Y218 A219 R232 F233 V323 L325 F335F211-F221 AromaticContact CD1-CD1 3.71Å; F211-F221 HydrophobicContact CD1-CD1 3.71Å; F211-F221 HydrophobicContact CD1-CE1 4.26Å; F211-F221 HydrophobicContact CD1-CG 4.34Å; F211-F221 AromaticContact CE1-CD1 4Å; F211-F221 HydrophobicContact CE1-CD1 4Å; F211-F221 HydrophobicContact CE1-CE1 4.16Å; L214-F221 HydrophobicContact CB-CD2 3.63Å; L214-F221 HydrophobicContact CB-CE2 4.1Å; L214-F221 HydrophobicContact CB-CG 4.23Å; L214-F221 HydrophobicContact CD1-CD2 4.45Å; L214-F221 HydrophobicContact CD1-CE2 4.23Å; Y218-F221 HydrophobicContact CD2-CD2 4.49Å; Y218-F221 HydrophobicContact CD2-CE2 4.24Å; Y218-F221 HydrophobicContact CG-CE2 4.26Å; Y218-F221 PolarHBondContact O-N 3.37Å; Y218-F221 VanDerWaalsContact O-N 3.1Å; A219-F221 PolarHBondContact O-N 3.35Å; A219-F221 VanDerWaalsContact O-N 3.13Å; F221-R232 PolarHBondContact O-N 3.29Å; F221-F233 HydrophobicContact CD1-CD2 4.15Å; F221-F233 AromaticContact CD1-CE2 3.61Å; F221-F233 HydrophobicContact CD1-CE2 3.61Å; F221-F233 HydrophobicContact CE1-CE2 4.02Å; F221-V323 HydrophobicContact CZ-CG1 4.15Å; F221-L325 HydrophobicContact CE2-CD2 3.79Å; F221-L325 HydrophobicContact CZ-CD2 3.59Å; F221-F335 AromaticContact CE1-CE2 3.86Å; F221-F335 HydrophobicContact CE1-CE2 3.86Å; F221-F335 HydrophobicContact CE1-CZ 4.13Å; F221-F335 AromaticContact CZ-CE2 3.73Å; F221-F335 HydrophobicContact CZ-CE2 3.73Å; F221-F335 AromaticContact CZ-CZ 3.85Å; F221-F335 HydrophobicContact CZ-CZ 3.85Å
222R90.2Very high88.7Confident106 Ų10668.4 Ų68.440%0.435%0.348SS..BIsolated β-bridgetrans-76145-175.6-159.4-179.9-68.4-173.3-1.8111.1S215 A219 D226S215-R222 PolarHBondContact O-NE 2.95Å; S215-R222 PolarHBondContact O-NH2 3.42Å; A219-R222 VanDerWaalsContact O-CB 3.29Å; A219-R222 WeakPolarHBondContact O-CB 3.45Å; A219-R222 PolarHBondContact O-N 3.43Å; R222-D226 WeakPolarHBondContact CD-OD1 3.25Å
223N84.8Confident88.7Confident22 Ų2266.5 Ų66.512%0.11834%0.338CS..  trans-83.7158.9166.2-170.127.1000110.7L225 F230 R251N223-L225 PolarHBondContact O-N 3.31Å; N223-F230 HydrophobicContact CB-CB 3.82Å; N223-F230 WeakPolarHBondContact ND2-CB 3.33Å; N223-R251 PolarHBondContact OD1-NH1 3.24Å
224K77.4Confident88.6Confident209 Ų20962.8 Ų62.891%0.90932%0.322SS*.SBendtrans-62.8-24.3174.4-66.1-176.4179.3179.20113.3
225L73.7Confident88.5Confident115 Ų11564.2 Ų64.260%0.60233%0.328SS*.SBendtrans-96.9108.9174.6-65.4149.6000106.6N223 S227N223-L225 PolarHBondContact O-N 3.31Å; L225-S227 PolarHBondContact O-N 3.45Å
226D71.4Confident88.3Confident139 Ų13964.9 Ų64.974%0.74333%0.33SS*.  trans-64.170.3177.2-80.9-28.4000111.1R222R222-D226 WeakPolarHBondContact CD-OD1 3.25Å
227S82.5Confident87.9Confident46 Ų4662.7 Ų62.732%0.32232%0.322SS..  trans-133.9132.1-175177.70000109.5L225 R229 F230L225-S227 PolarHBondContact O-N 3.45Å; S227-R229 PolarHBondContact O-N 3.3Å; S227-R229 PolarHBondContact OG-N 2.91Å; S227-F230 PolarHBondContact O-N 3.45Å; S227-F230 VanDerWaalsContact O-N 3.07Å
228C83.8Confident87Confident101 Ų10157.3 Ų57.368%0.68230%0.298SS*.THydrogen-bonded Turntrans-63-0.9173.7-54.10000113.9H208 L212H208-C228 PolarHBondContact NE2-O 3.38Å; H208-C228 VanDerWaalsContact NE2-O 3.13Å; L212-C228 HydrophobicContact CD1-CB 4.43Å
229R87.6Confident85.6Confident63 Ų6360.9 Ų60.924%0.23832%0.32CS..THydrogen-bonded Turntrans-92.7-12176.8-63.5179.656.7111.76.6113.2S227 E235 I236 A238S227-R229 PolarHBondContact O-N 3.3Å; S227-R229 PolarHBondContact OG-N 2.91Å; R229-E235 CarbonylContact O-C 3.52Å; R229-E235 WeakPolarHBondContact O-CA 3.34Å; R229-I236 HydrophobicContact CB-CB 4.41Å; R229-I236 PolarHBondContact NH2-O 3.48Å; R229-I236 PolarHBondContact O-N 2.88Å; R229-A238 VanDerWaalsContact CZ-O 3.28Å; R229-A238 PolarHBondContact NH1-O 2.91Å; R229-A238 PolarHBondContact NH2-O 3.22Å
230F90.7Very high84Confident56 Ų5662 Ų6225%0.24632%0.322CS..BIsolated β-bridgetrans-136.5132-174.1-58.7-90.4000111N223 S227 E235N223-F230 HydrophobicContact CB-CB 3.82Å; N223-F230 WeakPolarHBondContact ND2-CB 3.33Å; S227-F230 PolarHBondContact O-N 3.45Å; S227-F230 VanDerWaalsContact O-N 3.07Å; F230-E235 HydrophobicContact CD1-CB 3.57Å; F230-E235 HydrophobicContact CE1-CB 3.93Å
231T93.4Very high82.5Confident1 Ų167.2 Ų67.21%0.00635%0.353CS..BIsolated β-bridgetrans-116.4178.5164.677.50000108.6F211 L212 F233 T234 R251F211-T231 HydrophobicContact CB-CG2 3.78Å; L212-T231 HydrophobicContact CD2-CG2 3.79Å; L212-T231 HydrophobicContact CG-CG2 3.9Å; T231-F233 PolarHBondContact O-N 3.2Å; T231-F233 PolarHBondContact OG1-N 3.21Å; T231-T234 PolarHBondContact N-O 2.96Å; T231-T234 PolarHBondContact OG1-N 2.92Å; T231-T234 PolarHBondContact OG1-O 3.07Å; T231-T234 PolarHBondContact OG1-OG1 2.98Å; T231-R251 VanDerWaalsContact O-CD 3.29Å; T231-R251 WeakPolarHBondContact O-CD 3.48Å; T231-R251 PolarHBondContact O-NH1 2.69Å
232R93.3Very high80.8Confident48 Ų4870.9 Ų70.918%0.18137%0.373CS..SBendtrans-63.3-23.2172.2-169.4170.1-174.2171.4-0.4113.3V220 F221 P255 E321V220-R232 WeakPolarHBondContact O-CD 3.33Å; V220-R232 PolarHBondContact O-NH1 2.97Å; F221-R232 PolarHBondContact O-N 3.29Å; R232-P255 HydrophobicContact CG-CG 4.03Å; R232-E321 IonicContact CZ-OE1 3.28Å; R232-E321 IonicContact CZ-OE2 2.91Å; R232-E321 VanDerWaalsContact NH1-CD 3.34Å; R232-E321 IonicContact NH1-OE1 3.42Å; R232-E321 PolarHBondContact NH1-OE1 3.17Å; R232-E321 IonicContact NH1-OE2 3.31Å; R232-E321 PolarHBondContact NH1-OE2 3.29Å; R232-E321 IonicContact NH2-OE1 2.89Å; R232-E321 PolarHBondContact NH2-OE1 3.36Å; R232-E321 IonicContact NH2-OE2 3.06Å
233F94.7Very high79Confident0 Ų072 Ų720%039%0.392CS..SBendtrans-111.8-27.3-172.3-66.1-85.2000114.5F211 F221 T231 W250 R251 R254 P255 L257 V295F211-F233 HydrophobicContact CD1-CD2 4.1Å; F211-F233 HydrophobicContact CD2-CB 3.96Å; F211-F233 HydrophobicContact CD2-CD2 4.46Å; F211-F233 AromaticContact CE1-CD2 3.87Å; F211-F233 HydrophobicContact CE1-CD2 3.87Å; F211-F233 HydrophobicContact CE1-CE2 4.31Å; F211-F233 HydrophobicContact CE1-CG 4.32Å; F211-F233 HydrophobicContact CE2-CB 3.59Å; F211-F233 HydrophobicContact CE2-CD2 4.24Å; F211-F233 HydrophobicContact CE2-CG 4.02Å; F211-F233 HydrophobicContact CG-CD2 4.4Å; F211-F233 HydrophobicContact CZ-CB 3.99Å; F211-F233 AromaticContact CZ-CD2 3.92Å; F211-F233 HydrophobicContact CZ-CD2 3.92Å; F211-F233 AromaticContact CZ-CG 3.89Å; F211-F233 HydrophobicContact CZ-CG 3.89Å; F221-F233 HydrophobicContact CD1-CD2 4.15Å; F221-F233 AromaticContact CD1-CE2 3.61Å; F221-F233 HydrophobicContact CD1-CE2 3.61Å; F221-F233 HydrophobicContact CE1-CE2 4.02Å; T231-F233 PolarHBondContact O-N 3.2Å; T231-F233 PolarHBondContact OG1-N 3.21Å; F233-W250 HydrophobicContact CB-CE3 4.26Å; F233-W250 HydrophobicContact CB-CZ3 3.99Å; F233-R251 PolarHBondContact O-N 3.37Å; F233-R254 HydrophobicContact CD1-CB 4.37Å; F233-R254 VanDerWaalsContact O-CD 3.31Å; F233-R254 WeakPolarHBondContact O-CD 3.25Å; F233-P255 HydrophobicContact CD1-CG 4.41Å; F233-P255 HydrophobicContact CE1-CG 3.74Å; F233-P255 WeakPolarHBondContact CE1-O 3.32Å; F233-P255 HydrophobicContact CZ-CG 3.94Å; F233-L257 HydrophobicContact CD1-CB 4.37Å; F233-L257 HydrophobicContact CE1-CB 3.7Å; F233-L257 HydrophobicContact CE1-CD1 4.42Å; F233-L257 HydrophobicContact CE1-CG 4.46Å; F233-L257 HydrophobicContact CZ-CB 4.23Å; F233-L257 HydrophobicContact CZ-CD1 4.09Å; F233-V295 HydrophobicContact CZ-CB 3.81Å; F233-V295 HydrophobicContact CZ-CG1 4.15Å; F233-V295 HydrophobicContact CZ-CG2 3.82Å
234T93.7Very high77.5Confident0 Ų079.3 Ų79.30%042%0.422CS..EExtended strand (participates in β ladder)trans-138153.1-169.856.20000110.5V204 H208 F211 T231 H249 W250V204-T234 HydrophobicContact CG1-CG2 3.91Å; H208-T234 PolarHBondContact ND1-OG1 3.08Å; F211-T234 HydrophobicContact CD2-CG2 4.22Å; F211-T234 HydrophobicContact CE2-CG2 4.28Å; T231-T234 PolarHBondContact N-O 2.96Å; T231-T234 PolarHBondContact OG1-N 2.92Å; T231-T234 PolarHBondContact OG1-O 3.07Å; T231-T234 PolarHBondContact OG1-OG1 2.98Å; T234-H249 CarbonylContact C-O 3.45Å; T234-H249 VanDerWaalsContact CA-O 3.23Å; T234-H249 WeakPolarHBondContact CA-O 3.35Å; T234-H249 WeakPolarHBondContact CB-O 3.47Å; T234-W250 HydrophobicContact CG2-CD2 4.26Å; T234-W250 HydrophobicContact CG2-CE3 3.93Å; T234-W250 HydrophobicContact CG2-CZ3 4.19Å
235E92.1Very high76.6Confident32 Ų3274.3 Ų74.315%0.1541%0.406CS..EExtended strand (participates in β ladder)trans-144.5159.3178.166.2-179.6-171.200111.4R229 F230 T237 P248 H249 R251R229-E235 CarbonylContact O-C 3.52Å; R229-E235 WeakPolarHBondContact O-CA 3.34Å; F230-E235 HydrophobicContact CD1-CB 3.57Å; F230-E235 HydrophobicContact CE1-CB 3.93Å; E235-T237 HydrophobicContact CG-CG2 4.15Å; E235-T237 WeakPolarHBondContact OE1-CG2 3.4Å; E235-P248 WeakPolarHBondContact O-CA 3.34Å; E235-H249 WeakPolarHBondContact CG-NE2 3.26Å; E235-H249 PolarHBondContact N-O 2.89Å; E235-H249 PolarHBondContact O-N 3.24Å; E235-H249 PolarHBondContact O-ND1 3.07Å; E235-H249 IonicContact OE1-CD2 3.68Å; E235-H249 IonicContact OE1-CE1 3.61Å; E235-H249 IonicContact OE1-NE2 3.61Å; E235-H249 PolarHBondContact OE1-NE2 3.25Å; E235-R251 HydrophobicContact CB-CG 3.73Å; E235-R251 HydrophobicContact CG-CG 3.64Å
236I89.4Confident76.6Confident27 Ų2772.1 Ų72.114%0.13840%0.395CS..  trans-114.5110.2170.2-56.2173.5000106.7R229 P248R229-I236 HydrophobicContact CB-CB 4.41Å; R229-I236 PolarHBondContact NH2-O 3.48Å; R229-I236 PolarHBondContact O-N 2.88Å; I236-P248 HydrophobicContact CD1-CG 4.02Å; I236-P248 HydrophobicContact CG1-CB 4.09Å; I236-P248 HydrophobicContact CG1-CG 3.83Å
237T81.1Confident77.2Confident84 Ų8473 Ų7352%0.51539%0.394SS..  trans-89.4-24.6-176.649.70000113.7E235 L239 H249E235-T237 HydrophobicContact CG-CG2 4.15Å; E235-T237 WeakPolarHBondContact OE1-CG2 3.4Å; T237-L239 PolarHBondContact O-N 3.28Å; T237-H249 WeakPolarHBondContact CG2-CE1 3.43Å; T237-H249 PolarHBondContact OG1-CE1 2.78Å
238A72.6Confident77.6Confident11 Ų1171.9 Ų71.99%0.09139%0.386CS..SBendtrans-70.2130.3-174.800000113.4R229 N245 N246R229-A238 VanDerWaalsContact CZ-O 3.28Å; R229-A238 PolarHBondContact NH1-O 2.91Å; R229-A238 PolarHBondContact NH2-O 3.22Å; A238-N245 HydrophobicContact CB-CB 3.59Å; A238-N245 WeakPolarHBondContact CB-O 3.17Å; A238-N246 PolarHBondContact O-OD1 3.35Å
239L64.3Low78Confident125 Ų12569.3 Ų69.365%0.65436%0.364SS*.  trans-54.6144.9174.6-69168.9000110.6T237 T241 N242T237-L239 PolarHBondContact O-N 3.28Å; L239-T241 PolarHBondContact O-N 3.27Å; L239-N242 PolarHBondContact O-N 3.25Å
240P60.3Low78.2Confident99 Ų9966.3 Ų66.364%0.64335%0.352SS*.THydrogen-bonded Turntrans-52.4-23.8-174.7-25.331.9000115
241T60.9Low78.2Confident128 Ų12865.1 Ų65.179%0.78535%0.346SS*.THydrogen-bonded Turntrans-80-12.5-178.953.50000114.1L239L239-T241 PolarHBondContact O-N 3.27Å
242N58Low77.9Confident76 Ų7668.7 Ų68.741%0.40637%0.369SS..  trans-100.394.3-176.5-157.4-8.2000110.4L239 K244L239-N242 PolarHBondContact O-N 3.25Å; N242-K244 PolarHBondContact O-N 2.74Å
243T53.5Low77.7Confident130 Ų13071.3 Ų71.380%0.79839%0.387SS*.THydrogen-bonded Turntrans-61.2-15.3-18051.10000113.7
244K52.7Low77.6Confident175 Ų17571.5 Ų71.576%0.76139%0.388SS*.THydrogen-bonded Turntrans-88.2-16.2-173.2-71.4-171.6175.5-176.70115.5N242N242-K244 PolarHBondContact O-N 2.74Å
245N59.8Low77.7Confident105 Ų10572 Ų7256%0.56139%0.391SS*.SBendtrans-134.422.2-172.1-80.75.7000114.8A238 E247A238-N245 HydrophobicContact CB-CB 3.59Å; A238-N245 WeakPolarHBondContact CB-O 3.17Å; N245-E247 PolarHBondContact O-N 2.89Å; N245-E247 VanDerWaalsContact O-N 3.07Å
246N72.4Confident77.9Confident69 Ų6970.5 Ų70.537%0.36938%0.384SS..  trans-73.910.2178.4-82-12.1000114.3A238A238-N246 PolarHBondContact O-OD1 3.35Å
247E85.1Confident78.3Confident156 Ų15669.2 Ų69.273%0.72938%0.377SS*.  trans-75.7131.4-179.8-65.5-173.6171.500110.7N245N245-E247 PolarHBondContact O-N 2.89Å; N245-E247 VanDerWaalsContact O-N 3.07Å
248P90.6Very high79.1Confident23 Ų2365.3 Ų65.315%0.14935%0.353CS..  trans-63.2141.5174-22.334000111.9V204 D205 H208 E235 I236V204-P248 HydrophobicContact CG1-CB 4.36Å; V204-P248 WeakPolarHBondContact CG1-O 3.29Å; D205-P248 HydrophobicContact CB-CG 4.33Å; H208-P248 HydrophobicContact CB-CB 3.72Å; H208-P248 HydrophobicContact CB-CG 3.86Å; E235-P248 WeakPolarHBondContact O-CA 3.34Å; I236-P248 HydrophobicContact CD1-CG 4.02Å; I236-P248 HydrophobicContact CG1-CB 4.09Å; I236-P248 HydrophobicContact CG1-CG 3.83Å
249H91.2Very high80.3Confident47 Ų4764.8 Ų64.822%0.21835%0.349CS..EExtended strand (participates in β ladder)trans-126161.3169.558.1-82.9000111.1T234 E235 T237T234-H249 CarbonylContact C-O 3.45Å; T234-H249 VanDerWaalsContact CA-O 3.23Å; T234-H249 WeakPolarHBondContact CA-O 3.35Å; T234-H249 WeakPolarHBondContact CB-O 3.47Å; E235-H249 WeakPolarHBondContact CG-NE2 3.26Å; E235-H249 PolarHBondContact N-O 2.89Å; E235-H249 PolarHBondContact O-N 3.24Å; E235-H249 PolarHBondContact O-ND1 3.07Å; E235-H249 IonicContact OE1-CD2 3.68Å; E235-H249 IonicContact OE1-CE1 3.61Å; E235-H249 IonicContact OE1-NE2 3.61Å; E235-H249 PolarHBondContact OE1-NE2 3.25Å; T237-H249 WeakPolarHBondContact CG2-CE1 3.43Å; T237-H249 PolarHBondContact OG1-CE1 2.78Å
250W92.7Very high81.8Confident0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-66.9132.8172.8-65.498.6000110.2V204 A207 F211 F233 T234 C338 E416 R419V204-W250 HydrophobicContact CG1-CD2 4.47Å; V204-W250 HydrophobicContact CG1-CG 4.34Å; V204-W250 VanDerWaalsContact CG2-NE1 3.28Å; A207-W250 HydrophobicContact CB-CH2 4.16Å; A207-W250 HydrophobicContact CB-CZ2 4.18Å; F211-W250 AromaticContact CE2-CH2 3.97Å; F211-W250 HydrophobicContact CE2-CH2 3.97Å; F211-W250 AromaticContact CE2-CZ3 3.86Å; F211-W250 HydrophobicContact CE2-CZ3 3.86Å; F211-W250 HydrophobicContact CZ-CH2 4.36Å; F211-W250 HydrophobicContact CZ-CZ3 4.29Å; F233-W250 HydrophobicContact CB-CE3 4.26Å; F233-W250 HydrophobicContact CB-CZ3 3.99Å; T234-W250 HydrophobicContact CG2-CD2 4.26Å; T234-W250 HydrophobicContact CG2-CE3 3.93Å; T234-W250 HydrophobicContact CG2-CZ3 4.19Å; W250-C338 HydrophobicContact CH2-CB 4.16Å; W250-C338 WeakPolarHBondContact CH2-O 3.28Å; W250-E416 PolarHBondContact NE1-OE2 3.31Å; W250-R419 HydrophobicContact CG-CB 4.13Å; W250-R419 VanDerWaalsContact CZ2-NH1 3.35Å
251R91Very high83.2Confident32 Ų3254.8 Ų54.812%0.12129%0.292CS..  trans-66136.6179.5-84.6175.563.2166.95.6111.4N223 T231 F233 E235 D253 R254 S422N223-R251 PolarHBondContact OD1-NH1 3.24Å; T231-R251 VanDerWaalsContact O-CD 3.29Å; T231-R251 WeakPolarHBondContact O-CD 3.48Å; T231-R251 PolarHBondContact O-NH1 2.69Å; F233-R251 PolarHBondContact O-N 3.37Å; E235-R251 HydrophobicContact CB-CG 3.73Å; E235-R251 HydrophobicContact CG-CG 3.64Å; R251-D253 WeakPolarHBondContact CB-OD1 3.14Å; R251-D253 IonicContact CZ-OD1 2.66Å; R251-D253 IonicContact CZ-OD2 3.95Å; R251-D253 IonicContact NE-OD1 3.4Å; R251-D253 PolarHBondContact NE-OD1 3.32Å; R251-D253 IonicContact NE-OD2 4Å; R251-D253 IonicContact NH2-OD1 2.74Å; R251-D253 PolarHBondContact NH2-OD1 3.33Å; R251-D253 VanDerWaalsContact NH2-OD1 3.17Å; R251-D253 IonicContact NH2-OD2 2.8Å; R251-D253 PolarHBondContact NH2-OD2 3.42Å; R251-D253 PolarHBondContact O-N 2.98Å; R251-R254 HydrophobicContact CB-CB 4Å; R251-R254 VanDerWaalsContact O-CG 3.26Å; R251-R254 WeakPolarHBondContact O-CG 3.46Å; R251-R254 PolarHBondContact O-N 3.07Å; R251-S422 PolarHBondContact O-OG 3.19Å
252P86.6Confident84.3Confident75 Ų7549 Ų4949%0.48726%0.256SS..THydrogen-bonded Turntrans-72.2-8178.631.2-36.5000113.6S422P252-S422 WeakPolarHBondContact O-CB 3.48Å
253D88.9Confident85.4Confident103 Ų10347.5 Ų47.555%0.55125%0.252SS*.THydrogen-bonded Turntrans-118.310.5178.769.7-31.8000112.9R251R251-D253 WeakPolarHBondContact CB-OD1 3.14Å; R251-D253 IonicContact CZ-OD1 2.66Å; R251-D253 IonicContact CZ-OD2 3.95Å; R251-D253 IonicContact NE-OD1 3.4Å; R251-D253 PolarHBondContact NE-OD1 3.32Å; R251-D253 IonicContact NE-OD2 4Å; R251-D253 IonicContact NH2-OD1 2.74Å; R251-D253 PolarHBondContact NH2-OD1 3.33Å; R251-D253 VanDerWaalsContact NH2-OD1 3.17Å; R251-D253 IonicContact NH2-OD2 2.8Å; R251-D253 PolarHBondContact NH2-OD2 3.42Å; R251-D253 PolarHBondContact O-N 2.98Å
254R93.2Very high86.8Confident4 Ų441.3 Ų41.32%0.01521%0.214CC..PPolyproline II helixtrans-66151.9-177.870.4-175.3-170.684.7-3.5112.2F233 R251 D340 R419 S422F233-R254 HydrophobicContact CD1-CB 4.37Å; F233-R254 VanDerWaalsContact O-CD 3.31Å; F233-R254 WeakPolarHBondContact O-CD 3.25Å; R251-R254 HydrophobicContact CB-CB 4Å; R251-R254 VanDerWaalsContact O-CG 3.26Å; R251-R254 WeakPolarHBondContact O-CG 3.46Å; R251-R254 PolarHBondContact O-N 3.07Å; R254-D340 IonicContact CZ-OD1 2.63Å; R254-D340 IonicContact CZ-OD2 2.72Å; R254-D340 IonicContact NH1-OD1 2.76Å; R254-D340 IonicContact NH1-OD2 2.76Å; R254-D340 PolarHBondContact NH1-OD2 2.82Å; R254-D340 VanDerWaalsContact NH2-CG 3.31Å; R254-D340 IonicContact NH2-OD1 3.77Å; R254-D340 PolarHBondContact NH2-OD1 2.83Å; R254-D340 IonicContact NH2-OD2 3.87Å; R254-D340 PolarHBondContact NH2-OD2 3.49Å; R254-R419 PolarHBondContact NH2-O 3.32Å; R254-S422 WeakPolarHBondContact CG-OG 3.24Å
255P95.1Very high88.2Confident11 Ų1134.8 Ų34.87%0.07119%0.189CC..PPolyproline II helixtrans-67.5160.2164.930.6-35.2000111.7R232 F233 S293 V295R232-P255 HydrophobicContact CG-CG 4.03Å; F233-P255 HydrophobicContact CD1-CG 4.41Å; F233-P255 HydrophobicContact CE1-CG 3.74Å; F233-P255 WeakPolarHBondContact CE1-O 3.32Å; F233-P255 HydrophobicContact CZ-CG 3.94Å; P255-S293 CarbonylContact C-O 3.43Å; P255-S293 WeakPolarHBondContact CA-O 3.39Å; P255-S293 WeakPolarHBondContact CB-O 3.4Å; P255-V295 HydrophobicContact CB-CG2 4.05Å; P255-V295 HydrophobicContact CG-CG2 3.7Å
256A96.9Very high89Confident0 Ų033.5 Ų33.50%019%0.187CC..EExtended strand (participates in β ladder)trans-69.613216600000110.2P292 S293 I294 V295 D340 L403 V423A256-P292 HydrophobicContact CB-CB 4.43Å; A256-P292 HydrophobicContact CB-CG 3.93Å; A256-S293 PolarHBondContact N-O 2.96Å; A256-I294 HydrophobicContact CB-CG1 4.29Å; A256-I294 WeakPolarHBondContact O-CA 3.31Å; A256-V295 PolarHBondContact O-N 3.31Å; A256-D340 WeakPolarHBondContact CA-OD2 3.01Å; A256-L403 HydrophobicContact CB-CD1 4.1Å; A256-L403 HydrophobicContact CB-CD2 3.96Å; A256-L403 HydrophobicContact CB-CG 4.47Å; A256-V423 HydrophobicContact CB-CG1 3.65Å; A256-V423 HydrophobicContact CB-CG2 4Å
257L97.8Very high89.2Confident0 Ų031.9 Ų31.90%018%0.178CC..EExtended strand (participates in β ladder)trans-96.1109173.8-178.558000109.2F211 F233 V259 V295 A297 F335 C338 A339 D340 L341F211-L257 HydrophobicContact CE1-CD2 4.05Å; F211-L257 HydrophobicContact CZ-CD2 3.89Å; F233-L257 HydrophobicContact CD1-CB 4.37Å; F233-L257 HydrophobicContact CE1-CB 3.7Å; F233-L257 HydrophobicContact CE1-CD1 4.42Å; F233-L257 HydrophobicContact CE1-CG 4.46Å; F233-L257 HydrophobicContact CZ-CB 4.23Å; F233-L257 HydrophobicContact CZ-CD1 4.09Å; L257-V259 HydrophobicContact CD1-CG2 4.25Å; L257-V259 HydrophobicContact CG-CG2 4.05Å; L257-V295 HydrophobicContact CD1-CB 4.39Å; L257-V295 HydrophobicContact CD1-CG1 4.13Å; L257-A297 HydrophobicContact CD1-CB 4.18Å; L257-F335 HydrophobicContact CD1-CZ 4.25Å; L257-F335 HydrophobicContact CD2-CZ 4.4Å; L257-C338 HydrophobicContact CD2-CB 3.97Å; L257-A339 HydrophobicContact CG-CB 4.39Å; L257-D340 PolarHBondContact N-OD2 2.85Å; L257-D340 PolarHBondContact O-N 2.98Å; L257-L341 PolarHBondContact O-N 2.77Å
258V97.9Very high89Confident2 Ų224.5 Ų24.51%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-106.8129.4175.2-176.70000108.5I294 V295 F296 A297 L341 M399 L403V258-I294 HydrophobicContact CB-CG2 4.24Å; V258-I294 HydrophobicContact CG2-CD1 4.35Å; V258-I294 HydrophobicContact CG2-CG2 3.96Å; V258-V295 PolarHBondContact N-O 3.33Å; V258-F296 HydrophobicContact CB-CD2 3.84Å; V258-F296 HydrophobicContact CG1-CD2 3.68Å; V258-F296 HydrophobicContact CG1-CE2 3.9Å; V258-F296 CarbonylContact O-C 3.59Å; V258-F296 WeakPolarHBondContact O-CA 3.29Å; V258-F296 WeakPolarHBondContact O-CD2 3.48Å; V258-A297 PolarHBondContact O-N 3.37Å; V258-L341 CarbonylContact C-O 3.58Å; V258-L341 VanDerWaalsContact CA-O 3.3Å; V258-L341 WeakPolarHBondContact CA-O 3.14Å; V258-L341 HydrophobicContact CG1-CB 4.49Å; V258-L341 HydrophobicContact CG2-CB 4.31Å; V258-M399 HydrophobicContact CG2-CE 4.45Å; V258-L403 HydrophobicContact CG2-CD1 3.96Å
259V97.7Very high88.7Confident1 Ų126.9 Ų26.91%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-120136.5-174.9179.80000111.7L257 A297 T299 F335 L336 A339 L341 G342 L343L257-V259 HydrophobicContact CD1-CG2 4.25Å; L257-V259 HydrophobicContact CG-CG2 4.05Å; V259-A297 CarbonylContact C-O 3.52Å; V259-A297 WeakPolarHBondContact CA-O 3.43Å; V259-A297 HydrophobicContact CG2-CB 4.24Å; V259-T299 HydrophobicContact CG1-CG2 4.25Å; V259-F335 HydrophobicContact CG1-CD1 4.39Å; V259-F335 HydrophobicContact CG1-CE1 4.15Å; V259-F335 HydrophobicContact CG2-CD1 4.24Å; V259-F335 HydrophobicContact CG2-CE1 3.64Å; V259-F335 HydrophobicContact CG2-CZ 4.36Å; V259-L336 HydrophobicContact CG1-CD2 3.65Å; V259-A339 HydrophobicContact CB-CB 3.94Å; V259-A339 HydrophobicContact CG2-CB 3.43Å; V259-A339 VanDerWaalsContact CG2-CB 3.43Å; V259-L341 PolarHBondContact N-O 3.43Å; V259-G342 CarbonylContact O-C 3.57Å; V259-G342 WeakPolarHBondContact O-CA 3.34Å; V259-L343 PolarHBondContact O-N 3.08Å
260S95.2Very high88.7Confident2 Ų224.6 Ų24.61%0.01414%0.144CC..EExtended strand (participates in β ladder)trans-129.4137168.6-165.40000111.1A297 V298 T299 L343S260-A297 PolarHBondContact N-O 2.97Å; S260-V298 CarbonylContact O-C 3.48Å; S260-V298 WeakPolarHBondContact O-CA 3.48Å; S260-T299 PolarHBondContact O-N 3.47Å; S260-L343 WeakPolarHBondContact CA-O 3.41Å; S260-L343 WeakPolarHBondContact CB-O 3.49Å; S260-L343 PolarHBondContact OG-O 3.29Å
261S89.1Confident88.6Confident12 Ų1227.9 Ų27.98%0.08416%0.164CC..EExtended strand (participates in β ladder)trans-100.4115.8169.7-590000108.7T299 Y332 K357S261-T299 PolarHBondContact OG-OG1 2.87Å; S261-Y332 WeakPolarHBondContact OG-CE2 3.46Å; S261-Y332 PolarHBondContact OG-OH 3.31Å; S261-K357 VanDerWaalsContact O-CD 3.28Å; S261-K357 WeakPolarHBondContact O-CD 3.44Å; S261-K357 WeakPolarHBondContact O-CE 3.44Å; S261-K357 PolarHBondContact O-NZ 2.77Å
262C83.9Confident88.7Confident5 Ų528.1 Ų28.13%0.03417%0.168CC..  trans-120.4130-171.9-1700000110.4W264 D268 V298 T299 G300C262-W264 HydrophobicContact CB-CD2 4.23Å; C262-W264 HydrophobicContact CB-CG 4.49Å; C262-W264 PolarHBondContact SG-N 3.23Å; C262-D268 WeakPolarHBondContact CA-OD2 3.43Å; C262-D268 PolarHBondContact SG-OD2 3Å; C262-D268 VanDerWaalsContact SG-OD2 3.38Å; C262-V298 HydrophobicContact CB-CG1 3.82Å; C262-T299 PolarHBondContact N-O 3.3Å; C262-G300 WeakPolarHBondContact O-CA 3.48Å
263S81.4Confident89.1Confident46 Ų4624.6 Ų24.632%0.32215%0.145SC..  trans-80.4-6171.143.90000112.1T265 D268 G302S263-T265 WeakPolarHBondContact CB-OG1 3.35Å; S263-T265 PolarHBondContact O-N 2.7Å; S263-T265 PolarHBondContact OG-OG1 2.93Å; S263-D268 PolarHBondContact N-OD2 3.27Å; S263-D268 PolarHBondContact OG-OD2 2.94Å; S263-D268 VanDerWaalsContact OG-OD2 3.13Å; S263-G302 VanDerWaalsContact O-CA 3.3Å; S263-G302 WeakPolarHBondContact O-CA 3.26Å
264W83.3Confident89.4Confident0 Ų020.3 Ų20.30%012%0.122CC..  trans51.538.5-177.1-56.4102.1000112.3C262 F270 V298 G300 P303 L304 Q305 Y308 M324C262-W264 HydrophobicContact CB-CD2 4.23Å; C262-W264 HydrophobicContact CB-CG 4.49Å; C262-W264 PolarHBondContact SG-N 3.23Å; W264-F270 HydrophobicContact CH2-CE1 4.37Å; W264-F270 HydrophobicContact CH2-CE2 4.43Å; W264-F270 HydrophobicContact CH2-CZ 4.31Å; W264-F270 HydrophobicContact CZ3-CB 4.48Å; W264-F270 HydrophobicContact CZ3-CD1 4.25Å; W264-F270 HydrophobicContact CZ3-CD2 4.17Å; W264-F270 HydrophobicContact CZ3-CE2 4.48Å; W264-F270 HydrophobicContact CZ3-CG 4.05Å; W264-V298 HydrophobicContact CH2-CB 4.44Å; W264-V298 HydrophobicContact CH2-CG1 3.79Å; W264-V298 HydrophobicContact CZ2-CB 4.06Å; W264-V298 HydrophobicContact CZ2-CG1 3.39Å; W264-G300 PolarHBondContact NE1-O 3.29Å; W264-P303 WeakPolarHBondContact O-CD 3.46Å; W264-P303 WeakPolarHBondContact O-CG 3.17Å; W264-L304 HydrophobicContact CB-CB 4.42Å; W264-L304 VanDerWaalsContact O-CB 3.3Å; W264-L304 WeakPolarHBondContact O-CB 3.26Å; W264-L304 WeakPolarHBondContact O-CG 3.37Å; W264-L304 PolarHBondContact O-N 3.47Å; W264-Q305 HydrophobicContact CB-CB 4.21Å; W264-Q305 HydrophobicContact CD2-CB 3.79Å; W264-Q305 HydrophobicContact CD2-CG 4.1Å; W264-Q305 HydrophobicContact CE3-CB 4.43Å; W264-Q305 HydrophobicContact CG-CB 3.71Å; W264-Q305 HydrophobicContact CG-CG 4.33Å; W264-Q305 HydrophobicContact CZ2-CG 4.07Å; W264-Y308 AromaticContact CE3-CD2 3.61Å; W264-Y308 HydrophobicContact CE3-CD2 3.61Å; W264-Y308 HydrophobicContact CE3-CE2 4.39Å; W264-Y308 HydrophobicContact CE3-CG 4.32Å; W264-Y308 AromaticContact CZ3-CD2 3.65Å; W264-Y308 HydrophobicContact CZ3-CD2 3.65Å; W264-Y308 AromaticContact CZ3-CG 3.9Å; W264-Y308 HydrophobicContact CZ3-CG 3.9Å; W264-M324 HydrophobicContact CH2-CE 3.62Å; W264-M324 HydrophobicContact CH2-SD 3.96Å; W264-M324 HydrophobicContact CZ2-CE 4.13Å; W264-M324 HydrophobicContact CZ2-CG 4.25Å; W264-M324 HydrophobicContact CZ2-SD 3.85Å; W264-M324 HydrophobicContact CZ3-CE 4.48Å
265T81.2Confident89.6Confident37 Ų3724 Ų2423%0.22714%0.138CC..SBendtrans-106.6163.4176.643.40000109.5S263 D267 D268S263-T265 WeakPolarHBondContact CB-OG1 3.35Å; S263-T265 PolarHBondContact O-N 2.7Å; S263-T265 PolarHBondContact OG-OG1 2.93Å; T265-D267 WeakPolarHBondContact CB-OD1 3.39Å; T265-D267 PolarHBondContact O-N 3.14Å; T265-D267 PolarHBondContact OG1-OD1 3.16Å; T265-D268 PolarHBondContact O-N 3.03Å
266P77.1Confident89.7Confident79 Ų7923.5 Ų23.551%0.51314%0.135SC..THydrogen-bonded Turntrans-58.8-19.5-176-27.236.2000115.8D268 L304P266-D268 VanDerWaalsContact C-N 3.34Å; P266-L304 HydrophobicContact CG-CD1 4.4Å
267D76.9Confident89.7Confident34 Ų3423.7 Ų23.718%0.18214%0.136CC..THydrogen-bonded Turntrans-76.3-14.7174.857-58.8000114.3L137 T265 H346 R347L137-D267 HydrophobicContact CD1-CB 4.31Å; T265-D267 WeakPolarHBondContact CB-OD1 3.39Å; T265-D267 PolarHBondContact O-N 3.14Å; T265-D267 PolarHBondContact OG1-OD1 3.16Å; D267-H346 IonicContact OD2-CE1 3.77Å; D267-H346 PolarHBondContact OD2-CE1 3.16Å; D267-H346 IonicContact OD2-ND1 3.78Å; D267-H346 PolarHBondContact OD2-ND1 3.21Å; D267-R347 WeakPolarHBondContact O-CB 2.82Å; D267-R347 PolarHBondContact O-N 3.44Å; D267-R347 VanDerWaalsContact O-N 3.14Å
268D80.6Confident89.7Confident2 Ų226.9 Ų26.91%0.01115%0.151CC..BIsolated β-bridgetrans-102.581.7169.9-77.9-30.6000108.6C262 S263 T265 P266 F270 H346 K357C262-D268 WeakPolarHBondContact CA-OD2 3.43Å; C262-D268 PolarHBondContact SG-OD2 3Å; C262-D268 VanDerWaalsContact SG-OD2 3.38Å; S263-D268 PolarHBondContact N-OD2 3.27Å; S263-D268 PolarHBondContact OG-OD2 2.94Å; S263-D268 VanDerWaalsContact OG-OD2 3.13Å; T265-D268 PolarHBondContact O-N 3.03Å; P266-D268 VanDerWaalsContact C-N 3.34Å; D268-F270 PolarHBondContact O-N 3.2Å; D268-H346 VanDerWaalsContact OD1-CA 3.3Å; D268-H346 WeakPolarHBondContact OD1-CA 3.2Å; D268-H346 PolarHBondContact OD1-N 3.47Å; D268-K357 IonicContact OD1-NZ 2.82Å; D268-K357 PolarHBondContact OD1-NZ 2.8Å; D268-K357 IonicContact OD2-NZ 3.94Å; D268-K357 PolarHBondContact OD2-NZ 3.25Å
269D84.9Confident89.7Confident72 Ų7229.3 Ų29.339%0.38516%0.163SC..  trans-72.988.9175.1-177.47.4000111T271 L272 I345D269-T271 PolarHBondContact O-N 3.47Å; D269-T271 VanDerWaalsContact O-N 3.14Å; D269-T271 WeakPolarHBondContact OD1-CB 3.21Å; D269-T271 PolarHBondContact OD1-N 3.44Å; D269-T271 VanDerWaalsContact OD1-N 3.07Å; D269-T271 PolarHBondContact OD1-OG1 2.98Å; D269-L272 PolarHBondContact O-N 2.82Å; D269-I345 WeakPolarHBondContact O-CG2 3.15Å
270F90.3Very high89.7Confident0 Ų029.2 Ų29.20%016%0.163CC..THydrogen-bonded Turntrans-68.4-10.8-176.7-143.1-101.8000113.7W264 D268 L272 A273 I274 F296 V298 Y308 I312 I345W264-F270 HydrophobicContact CH2-CE1 4.37Å; W264-F270 HydrophobicContact CH2-CE2 4.43Å; W264-F270 HydrophobicContact CH2-CZ 4.31Å; W264-F270 HydrophobicContact CZ3-CB 4.48Å; W264-F270 HydrophobicContact CZ3-CD1 4.25Å; W264-F270 HydrophobicContact CZ3-CD2 4.17Å; W264-F270 HydrophobicContact CZ3-CE2 4.48Å; W264-F270 HydrophobicContact CZ3-CG 4.05Å; D268-F270 PolarHBondContact O-N 3.2Å; F270-L272 PolarHBondContact O-N 3.39Å; F270-A273 HydrophobicContact CD1-CB 4.35Å; F270-A273 HydrophobicContact CE1-CB 4.27Å; F270-A273 HydrophobicContact CZ-CB 4.39Å; F270-A273 PolarHBondContact O-N 3.48Å; F270-A273 VanDerWaalsContact O-N 3.09Å; F270-I274 HydrophobicContact CD1-CD1 4.4Å; F270-I274 HydrophobicContact CD1-CG1 4.12Å; F270-I274 WeakPolarHBondContact O-CG1 3.48Å; F270-I274 PolarHBondContact O-N 3.09Å; F270-F296 AromaticContact CE1-CE1 3.79Å; F270-F296 HydrophobicContact CE1-CE1 3.79Å; F270-F296 HydrophobicContact CE2-CE1 4.36Å; F270-F296 HydrophobicContact CE2-CZ 4.38Å; F270-F296 HydrophobicContact CZ-CD1 4.46Å; F270-F296 AromaticContact CZ-CE1 3.34Å; F270-F296 HydrophobicContact CZ-CE1 3.34Å; F270-F296 AromaticContact CZ-CZ 3.75Å; F270-F296 HydrophobicContact CZ-CZ 3.75Å; F270-V298 HydrophobicContact CE1-CG2 4.29Å; F270-V298 HydrophobicContact CE2-CG1 3.97Å; F270-V298 HydrophobicContact CE2-CG2 4.37Å; F270-V298 HydrophobicContact CZ-CB 4.38Å; F270-V298 HydrophobicContact CZ-CG1 3.91Å; F270-V298 HydrophobicContact CZ-CG2 3.53Å; F270-Y308 HydrophobicContact CB-CD1 3.59Å; F270-Y308 HydrophobicContact CB-CD2 3.94Å; F270-Y308 HydrophobicContact CB-CE1 3.48Å; F270-Y308 VanDerWaalsContact CB-CE1 3.48Å; F270-Y308 HydrophobicContact CB-CE2 3.82Å; F270-Y308 HydrophobicContact CB-CG 3.81Å; F270-Y308 HydrophobicContact CG-CG 4.49Å; F270-Y308 PolarHBondContact N-OH 2.81Å; F270-I312 HydrophobicContact CD1-CD1 4.3Å; F270-I312 HydrophobicContact CE1-CD1 4.02Å; F270-I345 HydrophobicContact CD2-CD1 3.62Å; F270-I345 HydrophobicContact CE2-CD1 3.78Å; F270-I345 HydrophobicContact CG-CD1 4.38Å
271T92.1Very high89.8Confident68 Ų6829.6 Ų29.642%0.41717%0.165SC..Hα-helixtrans-58.6-35.3175.2-43.90000111.1D269 A273 I274 K275D269-T271 PolarHBondContact O-N 3.47Å; D269-T271 VanDerWaalsContact O-N 3.14Å; D269-T271 WeakPolarHBondContact OD1-CB 3.21Å; D269-T271 PolarHBondContact OD1-N 3.44Å; D269-T271 VanDerWaalsContact OD1-N 3.07Å; D269-T271 PolarHBondContact OD1-OG1 2.98Å; T271-A273 VanDerWaalsContact C-N 3.35Å; T271-A273 PolarHBondContact O-N 2.92Å; T271-I274 PolarHBondContact O-N 3.29Å; T271-K275 WeakPolarHBondContact O-CB 3.24Å; T271-K275 PolarHBondContact O-N 2.6Å
272L93.1Very high90.2Very high37 Ų3734.5 Ų34.519%0.19418%0.184CC..Hα-helixtrans-60.2-43175.1-70.1172.3000112.1D269 F270 A276 I345 L371D269-L272 PolarHBondContact O-N 2.82Å; F270-L272 PolarHBondContact O-N 3.39Å; L272-A276 WeakPolarHBondContact O-CB 3.23Å; L272-A276 PolarHBondContact O-N 2.94Å; L272-I345 HydrophobicContact CD1-CG2 4.34Å; L272-L371 HydrophobicContact CD1-CD1 4.08Å
273A94.8Very high90.8Very high1 Ų135.3 Ų35.31%0.00819%0.192CC..Hα-helixtrans-69.8-42.9176.700000112F270 T271 K275 A276 L277 F296 L343 I345F270-A273 HydrophobicContact CD1-CB 4.35Å; F270-A273 HydrophobicContact CE1-CB 4.27Å; F270-A273 HydrophobicContact CZ-CB 4.39Å; F270-A273 PolarHBondContact O-N 3.48Å; F270-A273 VanDerWaalsContact O-N 3.09Å; T271-A273 VanDerWaalsContact C-N 3.35Å; T271-A273 PolarHBondContact O-N 2.92Å; A273-K275 VanDerWaalsContact C-N 3.29Å; A273-K275 PolarHBondContact O-N 3.33Å; A273-A276 PolarHBondContact O-N 3.48Å; A273-A276 VanDerWaalsContact O-N 3.15Å; A273-L277 WeakPolarHBondContact O-CB 3.17Å; A273-L277 VanDerWaalsContact O-CG 3.22Å; A273-L277 WeakPolarHBondContact O-CG 2.91Å; A273-L277 PolarHBondContact O-N 3.45Å; A273-F296 HydrophobicContact CB-CE1 4.48Å; A273-F296 HydrophobicContact CB-CZ 4.47Å; A273-L343 HydrophobicContact CB-CD2 4.08Å; A273-I345 HydrophobicContact CB-CD1 3.45Å; A273-I345 VanDerWaalsContact CB-CD1 3.45Å
274I95.6Very high91.4Very high13 Ų1333.4 Ų33.47%0.06718%0.179CC..Hα-helixtrans-57-46.9176.8-65.8171.2000110.2F270 T271 A276 L277 E278 Y308 L311 I312 Q315 W317F270-I274 HydrophobicContact CD1-CD1 4.4Å; F270-I274 HydrophobicContact CD1-CG1 4.12Å; F270-I274 WeakPolarHBondContact O-CG1 3.48Å; F270-I274 PolarHBondContact O-N 3.09Å; T271-I274 PolarHBondContact O-N 3.29Å; I274-A276 PolarHBondContact O-N 2.88Å; I274-L277 PolarHBondContact O-N 2.65Å; I274-E278 PolarHBondContact O-N 2.43Å; I274-Y308 HydrophobicContact CD1-CD1 4.07Å; I274-L311 HydrophobicContact CD1-CB 3.92Å; I274-L311 HydrophobicContact CD1-CD1 4.35Å; I274-I312 HydrophobicContact CD1-CG1 3.97Å; I274-I312 HydrophobicContact CG1-CG1 4Å; I274-Q315 HydrophobicContact CG2-CG 4.41Å; I274-W317 HydrophobicContact CG2-CH2 4.12Å; I274-W317 HydrophobicContact CG2-CZ2 4.05Å; I274-W317 WeakPolarHBondContact O-CZ2 3.1Å
275K96.3Very high91.9Very high83 Ų8338 Ų3836%0.36120%0.2SC..Hα-helixtrans-59.8-44.6176.3-174.2179.1-174.8-170.60112.2T271 A273 E278 I279 E393T271-K275 WeakPolarHBondContact O-CB 3.24Å; T271-K275 PolarHBondContact O-N 2.6Å; A273-K275 VanDerWaalsContact C-N 3.29Å; A273-K275 PolarHBondContact O-N 3.33Å; K275-E278 PolarHBondContact O-N 3.02Å; K275-I279 HydrophobicContact CG-CD1 4.23Å; K275-I279 WeakPolarHBondContact O-CG1 3.44Å; K275-I279 PolarHBondContact O-N 3.14Å; K275-I279 VanDerWaalsContact O-N 3.13Å; K275-E393 VanDerWaalsContact CE-CD 3.42Å; K275-E393 WeakPolarHBondContact CE-OE1 3.23Å; K275-E393 WeakPolarHBondContact CE-OE2 3.37Å; K275-E393 IonicContact NZ-OE1 3.4Å; K275-E393 PolarHBondContact NZ-OE1 2.89Å; K275-E393 IonicContact NZ-OE2 3.33Å; K275-E393 PolarHBondContact NZ-OE2 3.4Å
276A97.7Very high92.5Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-64.8-41.2179.700000112.6L272 A273 I274 I279 Y280 G392 L395 A396L272-A276 WeakPolarHBondContact O-CB 3.23Å; L272-A276 PolarHBondContact O-N 2.94Å; A273-A276 PolarHBondContact O-N 3.48Å; A273-A276 VanDerWaalsContact O-N 3.15Å; I274-A276 PolarHBondContact O-N 2.88Å; A276-I279 PolarHBondContact O-N 3.42Å; A276-Y280 WeakPolarHBondContact O-CB 3.24Å; A276-Y280 PolarHBondContact O-N 3.22Å; A276-G392 WeakPolarHBondContact CA-O 3.37Å; A276-G392 VanDerWaalsContact CB-O 3.25Å; A276-G392 WeakPolarHBondContact CB-O 3.21Å; A276-L395 HydrophobicContact CB-CB 3.84Å; A276-L395 HydrophobicContact CB-CD2 3.55Å; A276-L395 HydrophobicContact CB-CG 3.53Å; A276-A396 HydrophobicContact CB-CB 4.2Å; A276-A396 WeakPolarHBondContact O-CB 3.27Å
277L97.7Very high92.8Very high3 Ų347.7 Ų47.72%0.01624%0.239CC..Hα-helixtrans-65.1-39176.9-68.3172.6000111.8A273 I274 Y280 D281 F296 W317 V320 V322 M399A273-L277 WeakPolarHBondContact O-CB 3.17Å; A273-L277 VanDerWaalsContact O-CG 3.22Å; A273-L277 WeakPolarHBondContact O-CG 2.91Å; A273-L277 PolarHBondContact O-N 3.45Å; I274-L277 PolarHBondContact O-N 2.65Å; L277-Y280 PolarHBondContact O-N 3.22Å; L277-D281 WeakPolarHBondContact O-CB 3.48Å; L277-D281 PolarHBondContact O-N 2.68Å; L277-F296 HydrophobicContact CD1-CD1 3.51Å; L277-F296 HydrophobicContact CD1-CE1 3.85Å; L277-F296 HydrophobicContact CD1-CG 4.17Å; L277-F296 HydrophobicContact CD2-CB 4.42Å; L277-F296 HydrophobicContact CD2-CG 4.39Å; L277-W317 HydrophobicContact CB-CH2 3.7Å; L277-W317 HydrophobicContact CB-CZ2 3.83Å; L277-W317 HydrophobicContact CB-CZ3 4.11Å; L277-W317 HydrophobicContact CD1-CH2 3.9Å; L277-W317 HydrophobicContact CD1-CZ3 3.96Å; L277-W317 HydrophobicContact CG-CH2 4.48Å; L277-V320 HydrophobicContact CB-CG1 4.22Å; L277-V320 HydrophobicContact CD1-CG1 4.27Å; L277-V320 HydrophobicContact CD2-CG1 3.86Å; L277-V320 HydrophobicContact CG-CG1 4.32Å; L277-V322 HydrophobicContact CD1-CG2 4.13Å; L277-M399 HydrophobicContact CD2-CE 3.9Å
278E97.2Very high93.2Very high68 Ų6852.7 Ų52.732%0.31827%0.265SS..Hα-helixtrans-62.3-42.8174.7-168.4-163.616300112I274 K275 K282 W317I274-E278 PolarHBondContact O-N 2.43Å; K275-E278 PolarHBondContact O-N 3.02Å; E278-K282 WeakPolarHBondContact O-CG 3.49Å; E278-K282 PolarHBondContact O-N 3.09Å; E278-K282 WeakPolarHBondContact OE1-CE 3.23Å; E278-K282 IonicContact OE1-NZ 2.67Å; E278-K282 PolarHBondContact OE1-NZ 2.96Å; E278-W317 HydrophobicContact CB-CZ2 4.28Å
279I97.5Very high93.6Very high52 Ų5253.4 Ų53.427%0.26727%0.27SS..Hα-helixtrans-66.1-42.8176.4-64.7166.5000110.4K275 A276 K282 A283 E393 A396K275-I279 HydrophobicContact CG-CD1 4.23Å; K275-I279 WeakPolarHBondContact O-CG1 3.44Å; K275-I279 PolarHBondContact O-N 3.14Å; K275-I279 VanDerWaalsContact O-N 3.13Å; A276-I279 PolarHBondContact O-N 3.42Å; I279-K282 PolarHBondContact O-N 3.12Å; I279-A283 PolarHBondContact O-N 2.82Å; I279-E393 HydrophobicContact CD1-CB 4.45Å; I279-E393 HydrophobicContact CD1-CG 3.94Å; I279-A396 HydrophobicContact CB-CB 3.63Å; I279-A396 HydrophobicContact CD1-CB 4.27Å; I279-A396 HydrophobicContact CG2-CB 3.52Å
280Y98Very high93.9Very high0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-60.7-46176.7-174.4-82.3000111.8A276 L277 K282 A283 A284 L291 P292 I294 V320 M399 C400 L403A276-Y280 WeakPolarHBondContact O-CB 3.24Å; A276-Y280 PolarHBondContact O-N 3.22Å; L277-Y280 PolarHBondContact O-N 3.22Å; Y280-K282 VanDerWaalsContact C-N 3.34Å; Y280-K282 PolarHBondContact O-N 2.95Å; Y280-A283 CarbonylContact O-C 3.37Å; Y280-A283 WeakPolarHBondContact O-CA 3.12Å; Y280-A283 WeakPolarHBondContact O-CB 3.33Å; Y280-A283 PolarHBondContact O-N 3.23Å; Y280-A284 HydrophobicContact CD1-CB 4.42Å; Y280-A284 HydrophobicContact CE1-CB 4.13Å; Y280-A284 WeakPolarHBondContact O-CB 3.31Å; Y280-A284 PolarHBondContact O-N 3.46Å; Y280-L291 HydrophobicContact CE2-CD1 4.39Å; Y280-L291 HydrophobicContact CE2-CD2 4.21Å; Y280-P292 PolarHBondContact OH-O 2.71Å; Y280-I294 HydrophobicContact CD1-CD1 3.5Å; Y280-I294 HydrophobicContact CD1-CG1 4.11Å; Y280-I294 HydrophobicContact CD2-CD1 3.9Å; Y280-I294 HydrophobicContact CE1-CB 4.47Å; Y280-I294 HydrophobicContact CE1-CD1 3.27Å; Y280-I294 HydrophobicContact CE1-CG1 3.49Å; Y280-I294 VanDerWaalsContact CE1-CG1 3.49Å; Y280-I294 HydrophobicContact CE2-CD1 3.68Å; Y280-I294 HydrophobicContact CE2-CG1 4.49Å; Y280-I294 HydrophobicContact CG-CD1 3.82Å; Y280-V320 HydrophobicContact CD1-CG2 4Å; Y280-M399 HydrophobicContact CD2-CB 3.97Å; Y280-M399 HydrophobicContact CE2-CB 4.3Å; Y280-C400 VanDerWaalsContact CD2-SG 3.58Å; Y280-L403 HydrophobicContact CE2-CD1 4.09Å
281D97.5Very high94.1Very high10 Ų1053.3 Ų53.35%0.05328%0.28CS..Hα-helixtrans-57.4-47-179.7-169.370.1000111.5L277 A283 A284 E285 W317 K318 H319 V320L277-D281 WeakPolarHBondContact O-CB 3.48Å; L277-D281 PolarHBondContact O-N 2.68Å; D281-A283 VanDerWaalsContact C-N 3.3Å; D281-A283 PolarHBondContact O-N 2.95Å; D281-A284 PolarHBondContact O-N 2.65Å; D281-E285 PolarHBondContact O-N 3.4Å; D281-W317 HydrophobicContact CB-CB 4.35Å; D281-W317 HydrophobicContact CB-CG 4.18Å; D281-W317 WeakPolarHBondContact OD1-CB 3.49Å; D281-W317 WeakPolarHBondContact OD2-CA 3.31Å; D281-K318 PolarHBondContact OD1-N 2.97Å; D281-K318 PolarHBondContact OD2-N 3.25Å; D281-H319 WeakPolarHBondContact OD1-CA 3.39Å; D281-H319 WeakPolarHBondContact OD1-CB 3.38Å; D281-H319 PolarHBondContact OD1-N 2.92Å; D281-V320 HydrophobicContact CB-CG2 4.01Å; D281-V320 PolarHBondContact OD1-N 3.48Å
282K96.6Very high94.2Very high114 Ų11450.7 Ų50.750%0.49627%0.265SS..Hα-helixtrans-63.4-33.5174.7-68.5173.4-172.7168.10112.9E278 I279 Y280E278-K282 WeakPolarHBondContact O-CG 3.49Å; E278-K282 PolarHBondContact O-N 3.09Å; E278-K282 WeakPolarHBondContact OE1-CE 3.23Å; E278-K282 IonicContact OE1-NZ 2.67Å; E278-K282 PolarHBondContact OE1-NZ 2.96Å; I279-K282 PolarHBondContact O-N 3.12Å; Y280-K282 VanDerWaalsContact C-N 3.34Å; Y280-K282 PolarHBondContact O-N 2.95Å
283A96.3Very high94.3Very high23 Ų2351 Ų5119%0.1927%0.27CS..Hα-helixtrans-71.8-39.5176.100000111.6I279 Y280 D281 K286 S289 L291I279-A283 PolarHBondContact O-N 2.82Å; Y280-A283 CarbonylContact O-C 3.37Å; Y280-A283 WeakPolarHBondContact O-CA 3.12Å; Y280-A283 WeakPolarHBondContact O-CB 3.33Å; Y280-A283 PolarHBondContact O-N 3.23Å; D281-A283 VanDerWaalsContact C-N 3.3Å; D281-A283 PolarHBondContact O-N 2.95Å; A283-K286 PolarHBondContact O-N 2.9Å; A283-S289 WeakPolarHBondContact O-CB 3.04Å; A283-L291 HydrophobicContact CB-CD1 3.86Å
284A95.3Very high94.4Very high6 Ų651 Ų515%0.0527%0.27CS..Hα-helixtrans-69.3-33179.700000112.8Y280 D281 K286 S289 L291 H319Y280-A284 HydrophobicContact CD1-CB 4.42Å; Y280-A284 HydrophobicContact CE1-CB 4.13Å; Y280-A284 WeakPolarHBondContact O-CB 3.31Å; Y280-A284 PolarHBondContact O-N 3.46Å; D281-A284 PolarHBondContact O-N 2.65Å; A284-K286 PolarHBondContact O-N 3.2Å; A284-K286 VanDerWaalsContact O-N 3.16Å; A284-S289 PolarHBondContact O-OG 3.13Å; A284-L291 HydrophobicContact CB-CB 4.07Å; A284-L291 HydrophobicContact CB-CD1 4.42Å; A284-H319 HydrophobicContact CB-CB 3.63Å
285E94.2Very high94.5Very high96 Ų9650.4 Ų50.445%0.44927%0.267SS..THydrogen-bonded Turntrans-62.1-20.8177.7-172.9170.6-151.300113.7D281 L287 K318 H319D281-E285 PolarHBondContact O-N 3.4Å; E285-L287 PolarHBondContact O-N 2.72Å; E285-K318 IonicContact OE1-NZ 2.68Å; E285-K318 PolarHBondContact OE1-NZ 2.7Å; E285-H319 WeakPolarHBondContact CA-NE2 3.45Å
286K93.4Very high94.6Very high143 Ų14346.5 Ų46.562%0.62225%0.25SS*.SBendtrans-67.1128.2176.2-60.1175.9-176.31750110.1A283 A284 D288 S289A283-K286 PolarHBondContact O-N 2.9Å; A284-K286 PolarHBondContact O-N 3.2Å; A284-K286 VanDerWaalsContact O-N 3.16Å; K286-D288 VanDerWaalsContact C-N 3.26Å; K286-D288 PolarHBondContact O-N 3.38Å; K286-D288 VanDerWaalsContact O-N 3.11Å; K286-S289 WeakPolarHBondContact O-CB 3.34Å; K286-S289 PolarHBondContact O-N 3.38Å; K286-S289 PolarHBondContact O-OG 3.33Å; K286-S289 VanDerWaalsContact O-OG 3.1Å
287L82.7Confident94.6Very high177 Ų17746.5 Ų46.593%0.92725%0.25SS*.THydrogen-bonded Turntrans-49.4-40.3-177.6-82.3139.7000114.4E285E285-L287 PolarHBondContact O-N 2.72Å
288D85.3Confident94.4Very high139 Ų13946.4 Ų46.474%0.74325%0.25SC*.THydrogen-bonded Turntrans-9712.6-178-62.9-43.8000113.9K286 G290K286-D288 VanDerWaalsContact C-N 3.26Å; K286-D288 PolarHBondContact O-N 3.38Å; K286-D288 VanDerWaalsContact O-N 3.11Å; D288-G290 PolarHBondContact O-N 2.86Å
289S89.8Confident94.2Very high17 Ų1743.5 Ų43.512%0.11924%0.236CC..  trans-58.4-42.4-177.3710000111A283 A284 K286 L291 K404A283-S289 WeakPolarHBondContact O-CB 3.04Å; A284-S289 PolarHBondContact O-OG 3.13Å; K286-S289 WeakPolarHBondContact O-CB 3.34Å; K286-S289 PolarHBondContact O-N 3.38Å; K286-S289 PolarHBondContact O-OG 3.33Å; K286-S289 VanDerWaalsContact O-OG 3.1Å; S289-L291 PolarHBondContact O-N 3.46Å; S289-L291 PolarHBondContact OG-N 2.76Å; S289-L291 VanDerWaalsContact OG-N 3.15Å; S289-K404 WeakPolarHBondContact O-CE 3.19Å; S289-K404 PolarHBondContact O-NZ 2.97Å
290G90.1Very high93.7Very high46 Ų4642 Ų4247%0.47423%0.233SC..  trans62.214.3-168.500000112.8D288 P405D288-G290 PolarHBondContact O-N 2.86Å; G290-P405 WeakPolarHBondContact O-CD 3.23Å
291L94Very high92.9Very high23 Ų2347.8 Ų47.812%0.1226%0.255CS..PPolyproline II helixtrans-82.3135.8-179.5-70.5171.4000109.9Y280 A283 A284 S289 C400 K404Y280-L291 HydrophobicContact CE2-CD1 4.39Å; Y280-L291 HydrophobicContact CE2-CD2 4.21Å; A283-L291 HydrophobicContact CB-CD1 3.86Å; A284-L291 HydrophobicContact CB-CB 4.07Å; A284-L291 HydrophobicContact CB-CD1 4.42Å; S289-L291 PolarHBondContact O-N 3.46Å; S289-L291 PolarHBondContact OG-N 2.76Å; S289-L291 VanDerWaalsContact OG-N 3.15Å; L291-C400 HydrophobicContact CD1-CB 4.4Å; L291-C400 HydrophobicContact CD2-CB 4.24Å; L291-C400 WeakPolarHBondContact CD2-O 3.29Å; L291-K404 HydrophobicContact CD2-CB 3.91Å; L291-K404 HydrophobicContact CD2-CD 4.5Å; L291-K404 HydrophobicContact CD2-CG 4.41Å
292P94.2Very high92.3Very high14 Ų1448.3 Ų48.39%0.09126%0.263CS..PPolyproline II helixtrans-71.8155.2173.731.8-35.2000110.2A256 Y280 L403 V423A256-P292 HydrophobicContact CB-CB 4.43Å; A256-P292 HydrophobicContact CB-CG 3.93Å; Y280-P292 PolarHBondContact OH-O 2.71Å; P292-L403 HydrophobicContact CG-CB 4.26Å; P292-V423 HydrophobicContact CB-CG2 4.13Å; P292-V423 HydrophobicContact CG-CG1 4.49Å; P292-V423 HydrophobicContact CG-CG2 4.18Å
293S95.9Very high91.8Very high44 Ų4447.6 Ų47.631%0.30827%0.27SS..PPolyproline II helixtrans-62.4151.2162.7-61.90000110P255 A256 H319P255-S293 CarbonylContact C-O 3.43Å; P255-S293 WeakPolarHBondContact CA-O 3.39Å; P255-S293 WeakPolarHBondContact CB-O 3.4Å; A256-S293 PolarHBondContact N-O 2.96Å; S293-H319 CarbonylContact C-O 3.6Å; S293-H319 WeakPolarHBondContact CA-O 3.24Å; S293-H319 WeakPolarHBondContact CB-O 3.31Å
294I97.5Very high91.3Very high1 Ų148.9 Ų48.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-107.6133.7177.9-69180000110.1A256 V258 Y280 F296 H319 V320 E321 M399 L403A256-I294 HydrophobicContact CB-CG1 4.29Å; A256-I294 WeakPolarHBondContact O-CA 3.31Å; V258-I294 HydrophobicContact CB-CG2 4.24Å; V258-I294 HydrophobicContact CG2-CD1 4.35Å; V258-I294 HydrophobicContact CG2-CG2 3.96Å; Y280-I294 HydrophobicContact CD1-CD1 3.5Å; Y280-I294 HydrophobicContact CD1-CG1 4.11Å; Y280-I294 HydrophobicContact CD2-CD1 3.9Å; Y280-I294 HydrophobicContact CE1-CB 4.47Å; Y280-I294 HydrophobicContact CE1-CD1 3.27Å; Y280-I294 HydrophobicContact CE1-CG1 3.49Å; Y280-I294 VanDerWaalsContact CE1-CG1 3.49Å; Y280-I294 HydrophobicContact CE2-CD1 3.68Å; Y280-I294 HydrophobicContact CE2-CG1 4.49Å; Y280-I294 HydrophobicContact CG-CD1 3.82Å; I294-F296 HydrophobicContact CG2-CB 3.92Å; I294-H319 PolarHBondContact N-O 3.45Å; I294-V320 HydrophobicContact CB-CG2 4.43Å; I294-E321 PolarHBondContact O-N 2.87Å; I294-M399 HydrophobicContact CD1-CE 3.41Å; I294-M399 VanDerWaalsContact CD1-CE 3.41Å; I294-L403 HydrophobicContact CD1-CD1 3.57Å; I294-L403 HydrophobicContact CG1-CD1 3.96Å
295V97.6Very high91.1Very high0 Ų051.4 Ų51.40%028%0.284CS..EExtended strand (participates in β ladder)trans-100.9109.8154.8174.80000107.2V220 F233 P255 A256 L257 V258 E321 V323V220-V295 HydrophobicContact CG2-CG1 3.76Å; V220-V295 HydrophobicContact CG2-CG2 4Å; F233-V295 HydrophobicContact CZ-CB 3.81Å; F233-V295 HydrophobicContact CZ-CG1 4.15Å; F233-V295 HydrophobicContact CZ-CG2 3.82Å; P255-V295 HydrophobicContact CB-CG2 4.05Å; P255-V295 HydrophobicContact CG-CG2 3.7Å; A256-V295 PolarHBondContact O-N 3.31Å; L257-V295 HydrophobicContact CD1-CB 4.39Å; L257-V295 HydrophobicContact CD1-CG1 4.13Å; V258-V295 PolarHBondContact N-O 3.33Å; V295-E321 CarbonylContact C-O 3.45Å; V295-E321 WeakPolarHBondContact CA-O 3.49Å; V295-V323 HydrophobicContact CG1-CG1 4.13Å
296F97.6Very high91Very high1 Ų150.7 Ų50.70%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-97.3104178.6-177.4-126.4000109.7V258 F270 A273 L277 I294 V298 E321 V322 V323 L343V258-F296 HydrophobicContact CB-CD2 3.84Å; V258-F296 HydrophobicContact CG1-CD2 3.68Å; V258-F296 HydrophobicContact CG1-CE2 3.9Å; V258-F296 CarbonylContact O-C 3.59Å; V258-F296 WeakPolarHBondContact O-CA 3.29Å; V258-F296 WeakPolarHBondContact O-CD2 3.48Å; F270-F296 AromaticContact CE1-CE1 3.79Å; F270-F296 HydrophobicContact CE1-CE1 3.79Å; F270-F296 HydrophobicContact CE2-CE1 4.36Å; F270-F296 HydrophobicContact CE2-CZ 4.38Å; F270-F296 HydrophobicContact CZ-CD1 4.46Å; F270-F296 AromaticContact CZ-CE1 3.34Å; F270-F296 HydrophobicContact CZ-CE1 3.34Å; F270-F296 AromaticContact CZ-CZ 3.75Å; F270-F296 HydrophobicContact CZ-CZ 3.75Å; A273-F296 HydrophobicContact CB-CE1 4.48Å; A273-F296 HydrophobicContact CB-CZ 4.47Å; L277-F296 HydrophobicContact CD1-CD1 3.51Å; L277-F296 HydrophobicContact CD1-CE1 3.85Å; L277-F296 HydrophobicContact CD1-CG 4.17Å; L277-F296 HydrophobicContact CD2-CB 4.42Å; L277-F296 HydrophobicContact CD2-CG 4.39Å; I294-F296 HydrophobicContact CG2-CB 3.92Å; F296-V298 HydrophobicContact CD1-CG2 3.86Å; F296-V298 HydrophobicContact CE1-CG2 3.65Å; F296-V298 HydrophobicContact CZ-CG2 4.13Å; F296-E321 PolarHBondContact N-O 3.46Å; F296-V322 HydrophobicContact CB-CG2 4.28Å; F296-V322 HydrophobicContact CD1-CG1 4.07Å; F296-V322 HydrophobicContact CD1-CG2 4.07Å; F296-V322 WeakPolarHBondContact O-CA 3.33Å; F296-V323 PolarHBondContact O-N 2.79Å; F296-L343 HydrophobicContact CE2-CB 4.35Å; F296-L343 HydrophobicContact CE2-CD2 3.83Å; F296-L343 HydrophobicContact CZ-CD2 3.7Å
297A97.3Very high91Very high0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-96.2120.1-177.700000111.2L257 V258 V259 S260 V323 L325 F335L257-A297 HydrophobicContact CD1-CB 4.18Å; V258-A297 PolarHBondContact O-N 3.37Å; V259-A297 CarbonylContact C-O 3.52Å; V259-A297 WeakPolarHBondContact CA-O 3.43Å; V259-A297 HydrophobicContact CG2-CB 4.24Å; S260-A297 PolarHBondContact N-O 2.97Å; A297-V323 CarbonylContact C-O 3.57Å; A297-V323 WeakPolarHBondContact CA-O 3.45Å; A297-V323 HydrophobicContact CB-CG1 3.67Å; A297-L325 HydrophobicContact CB-CD2 3.95Å; A297-F335 HydrophobicContact CB-CE1 3.73Å; A297-F335 HydrophobicContact CB-CZ 3.63Å
298V95.2Very high91.4Very high1 Ų142 Ų421%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-109.3117.5179.5-1640000108.8S260 C262 W264 F270 F296 V322 V323 M324 L325S260-V298 CarbonylContact O-C 3.48Å; S260-V298 WeakPolarHBondContact O-CA 3.48Å; C262-V298 HydrophobicContact CB-CG1 3.82Å; W264-V298 HydrophobicContact CH2-CB 4.44Å; W264-V298 HydrophobicContact CH2-CG1 3.79Å; W264-V298 HydrophobicContact CZ2-CB 4.06Å; W264-V298 HydrophobicContact CZ2-CG1 3.39Å; F270-V298 HydrophobicContact CE1-CG2 4.29Å; F270-V298 HydrophobicContact CE2-CG1 3.97Å; F270-V298 HydrophobicContact CE2-CG2 4.37Å; F270-V298 HydrophobicContact CZ-CB 4.38Å; F270-V298 HydrophobicContact CZ-CG1 3.91Å; F270-V298 HydrophobicContact CZ-CG2 3.53Å; F296-V298 HydrophobicContact CD1-CG2 3.86Å; F296-V298 HydrophobicContact CE1-CG2 3.65Å; F296-V298 HydrophobicContact CZ-CG2 4.13Å; V298-V322 HydrophobicContact CG2-CG1 4.06Å; V298-V323 PolarHBondContact N-O 2.94Å; V298-M324 WeakPolarHBondContact O-CA 3.23Å; V298-L325 PolarHBondContact O-N 2.83Å
299T92.9Very high91.8Very high7 Ų736.4 Ų36.44%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-103.8154.5178.491.90000110.5V259 S260 S261 C262 L325 L327 F335V259-T299 HydrophobicContact CG1-CG2 4.25Å; S260-T299 PolarHBondContact O-N 3.47Å; S261-T299 PolarHBondContact OG-OG1 2.87Å; C262-T299 PolarHBondContact N-O 3.3Å; T299-L325 WeakPolarHBondContact CA-O 3.17Å; T299-L325 HydrophobicContact CG2-CD1 3.81Å; T299-L325 HydrophobicContact CG2-CG 4.5Å; T299-L327 HydrophobicContact CG2-CD1 4.12Å; T299-F335 HydrophobicContact CG2-CE1 4.47Å
300G85.9Confident92Very high19 Ų1942 Ų4220%0.19624%0.237CC..  trans114.4176.8174.100000114.1C262 W264C262-G300 WeakPolarHBondContact O-CA 3.48Å; W264-G300 PolarHBondContact NE1-O 3.29Å
301R82.1Confident92.2Very high123 Ų12341.9 Ų41.946%0.46423%0.225SC..  trans-139.3138-176.6-73.4178.3-156.2-168.76110.8W326R301-W326 HydrophobicContact CB-CZ3 4.15Å; R301-W326 VanDerWaalsContact CD-CZ3 3.46Å; R301-W326 HydrophobicContact CG-CE3 3.57Å; R301-W326 HydrophobicContact CG-CH2 4.29Å; R301-W326 HydrophobicContact CG-CZ3 3.4Å; R301-W326 VanDerWaalsContact NE-CD2 3.27Å; R301-W326 VanDerWaalsContact NE-CH2 3.32Å; R301-W326 VanDerWaalsContact NH2-CZ2 3.27Å; R301-W326 VanDerWaalsContact NH2-NE1 3.12Å
302G84.4Confident92.1Very high20 Ų2041.7 Ų41.721%0.20622%0.224CC..  trans-179.4-178.2168.500000113.8S263 L304 Q305S263-G302 VanDerWaalsContact O-CA 3.3Å; S263-G302 WeakPolarHBondContact O-CA 3.26Å; G302-L304 VanDerWaalsContact C-N 3.33Å; G302-L304 PolarHBondContact O-N 3.19Å; G302-Q305 WeakPolarHBondContact O-CB 3.34Å; G302-Q305 PolarHBondContact O-N 3.49Å
303P85.2Confident92Very high99 Ų9948.5 Ų48.564%0.64325%0.254SS*.THydrogen-bonded Turntrans-66.2-29.1-165.125.5-34.9000114.4W264W264-P303 WeakPolarHBondContact O-CD 3.46Å; W264-P303 WeakPolarHBondContact O-CG 3.17Å
304L87.7Confident91.9Very high50 Ų5052.6 Ų52.626%0.26227%0.269SS..THydrogen-bonded Turntrans-911.5-177.1-59.3178000114.2W264 P266 G302 S306 Y307 Y308W264-L304 HydrophobicContact CB-CB 4.42Å; W264-L304 VanDerWaalsContact O-CB 3.3Å; W264-L304 WeakPolarHBondContact O-CB 3.26Å; W264-L304 WeakPolarHBondContact O-CG 3.37Å; W264-L304 PolarHBondContact O-N 3.47Å; P266-L304 HydrophobicContact CG-CD1 4.4Å; G302-L304 VanDerWaalsContact C-N 3.33Å; G302-L304 PolarHBondContact O-N 3.19Å; L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 3.32Å; L304-Y307 WeakPolarHBondContact O-CB 3.21Å; L304-Y307 PolarHBondContact O-N 3.46Å; L304-Y308 HydrophobicContact CB-CD2 3.92Å; L304-Y308 HydrophobicContact CB-CE2 3.78Å; L304-Y308 HydrophobicContact CD1-CE2 4.14Å; L304-Y308 VanDerWaalsContact O-CD2 3.28Å; L304-Y308 WeakPolarHBondContact O-CD2 3.25Å; L304-Y308 PolarHBondContact O-N 3.31Å; L304-Y308 VanDerWaalsContact O-N 3.12Å
305Q90.1Very high91.7Very high60 Ų6055.2 Ų55.228%0.2828%0.281SS..Hα-helixtrans-57.2-46.5-176.7-176.3179.115.200112W264 G302 Y307 Y308 A309 M324W264-Q305 HydrophobicContact CB-CB 4.21Å; W264-Q305 HydrophobicContact CD2-CB 3.79Å; W264-Q305 HydrophobicContact CD2-CG 4.1Å; W264-Q305 HydrophobicContact CE3-CB 4.43Å; W264-Q305 HydrophobicContact CG-CB 3.71Å; W264-Q305 HydrophobicContact CG-CG 4.33Å; W264-Q305 HydrophobicContact CZ2-CG 4.07Å; G302-Q305 WeakPolarHBondContact O-CB 3.34Å; G302-Q305 PolarHBondContact O-N 3.49Å; Q305-Y307 VanDerWaalsContact C-N 3.32Å; Q305-Y307 PolarHBondContact O-N 2.93Å; Q305-Y308 PolarHBondContact O-N 2.94Å; Q305-A309 VanDerWaalsContact O-CB 3.26Å; Q305-A309 WeakPolarHBondContact O-CB 3.2Å; Q305-A309 PolarHBondContact O-N 3.09Å; Q305-M324 HydrophobicContact CG-SD 3.95Å
306S91.5Very high91.4Very high80 Ų8062.5 Ų62.556%0.55932%0.32SS*.Hα-helixtrans-68.5-30.8-179.356.30000113.1L304 K310L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 3.32Å; S306-K310 WeakPolarHBondContact O-CG 3.5Å; S306-K310 PolarHBondContact O-N 3.14Å
307Y93.2Very high91.3Very high124 Ų12464.3 Ų64.349%0.48633%0.327SS..Hα-helixtrans-65.1-53175.1168.5-101000110.7L304 Q305 A309 K310 L311L304-Y307 WeakPolarHBondContact O-CB 3.21Å; L304-Y307 PolarHBondContact O-N 3.46Å; Q305-Y307 VanDerWaalsContact C-N 3.32Å; Q305-Y307 PolarHBondContact O-N 2.93Å; Y307-A309 VanDerWaalsContact C-N 3.35Å; Y307-A309 PolarHBondContact O-N 3.26Å; Y307-K310 PolarHBondContact O-N 3.02Å; Y307-L311 HydrophobicContact CD1-CD1 4.25Å; Y307-L311 HydrophobicContact CE1-CD1 3.58Å; Y307-L311 HydrophobicContact CE2-CD1 4.37Å; Y307-L311 PolarHBondContact O-N 3.31Å
308Y92.6Very high91.2Very high13 Ų1371.1 Ų71.15%0.05136%0.356CS..Hα-helixtrans-70-31.4179.1-69.9-66.3000113W264 F270 I274 L304 Q305 K310 L311 I312W264-Y308 AromaticContact CE3-CD2 3.61Å; W264-Y308 HydrophobicContact CE3-CD2 3.61Å; W264-Y308 HydrophobicContact CE3-CE2 4.39Å; W264-Y308 HydrophobicContact CE3-CG 4.32Å; W264-Y308 AromaticContact CZ3-CD2 3.65Å; W264-Y308 HydrophobicContact CZ3-CD2 3.65Å; W264-Y308 AromaticContact CZ3-CG 3.9Å; W264-Y308 HydrophobicContact CZ3-CG 3.9Å; F270-Y308 HydrophobicContact CB-CD1 3.59Å; F270-Y308 HydrophobicContact CB-CD2 3.94Å; F270-Y308 HydrophobicContact CB-CE1 3.48Å; F270-Y308 VanDerWaalsContact CB-CE1 3.48Å; F270-Y308 HydrophobicContact CB-CE2 3.82Å; F270-Y308 HydrophobicContact CB-CG 3.81Å; F270-Y308 HydrophobicContact CG-CG 4.49Å; F270-Y308 PolarHBondContact N-OH 2.81Å; I274-Y308 HydrophobicContact CD1-CD1 4.07Å; L304-Y308 HydrophobicContact CB-CD2 3.92Å; L304-Y308 HydrophobicContact CB-CE2 3.78Å; L304-Y308 HydrophobicContact CD1-CE2 4.14Å; L304-Y308 VanDerWaalsContact O-CD2 3.28Å; L304-Y308 WeakPolarHBondContact O-CD2 3.25Å; L304-Y308 PolarHBondContact O-N 3.31Å; L304-Y308 VanDerWaalsContact O-N 3.12Å; Q305-Y308 PolarHBondContact O-N 2.94Å; Y308-K310 VanDerWaalsContact C-N 3.26Å; Y308-K310 PolarHBondContact O-N 3.23Å; Y308-L311 HydrophobicContact CD1-CD1 3.97Å; Y308-L311 HydrophobicContact CE1-CD1 4.41Å; Y308-L311 PolarHBondContact O-N 3.09Å; Y308-I312 WeakPolarHBondContact O-CB 3.14Å; Y308-I312 WeakPolarHBondContact O-CD1 3.46Å; Y308-I312 WeakPolarHBondContact O-CG1 3.44Å; Y308-I312 PolarHBondContact O-N 3.01Å
309A92.8Very high91.2Very high22 Ų2273.5 Ų73.518%0.18237%0.367CS..Hα-helixtrans-57.5-40.3173.600000111.9Q305 Y307 I312 Q313 M324Q305-A309 VanDerWaalsContact O-CB 3.26Å; Q305-A309 WeakPolarHBondContact O-CB 3.2Å; Q305-A309 PolarHBondContact O-N 3.09Å; Y307-A309 VanDerWaalsContact C-N 3.35Å; Y307-A309 PolarHBondContact O-N 3.26Å; A309-I312 PolarHBondContact O-N 2.99Å; A309-Q313 WeakPolarHBondContact O-CB 3.47Å; A309-Q313 VanDerWaalsContact O-CG 3.24Å; A309-Q313 WeakPolarHBondContact O-CG 3.41Å; A309-Q313 PolarHBondContact O-N 3.37Å; A309-M324 VanDerWaalsContact CA-CE 3.48Å; A309-M324 HydrophobicContact CB-CE 3.77Å; A309-M324 HydrophobicContact CB-SD 3.88Å
310K94.2Very high91.4Very high136 Ų13673.5 Ų73.559%0.59137%0.367SS*.Hα-helixtrans-64.8-48.4174.5-70.4176.7179.8-172.90111.8S306 Y307 Y308 I312 Q313 E314S306-K310 WeakPolarHBondContact O-CG 3.5Å; S306-K310 PolarHBondContact O-N 3.14Å; Y307-K310 PolarHBondContact O-N 3.02Å; Y308-K310 VanDerWaalsContact C-N 3.26Å; Y308-K310 PolarHBondContact O-N 3.23Å; K310-I312 PolarHBondContact O-N 2.88Å; K310-Q313 PolarHBondContact O-N 3.47Å; K310-Q313 VanDerWaalsContact O-N 3.09Å; K310-E314 WeakPolarHBondContact O-CG 3.22Å; K310-E314 PolarHBondContact O-N 2.73Å
311L93.6Very high91.9Very high42 Ų4276.6 Ų76.622%0.2238%0.376CS..Hα-helixtrans-58.6-36.1178.7-67.3178.7000112.8I274 Y307 Y308 Q315I274-L311 HydrophobicContact CD1-CB 3.92Å; I274-L311 HydrophobicContact CD1-CD1 4.35Å; Y307-L311 HydrophobicContact CD1-CD1 4.25Å; Y307-L311 HydrophobicContact CE1-CD1 3.58Å; Y307-L311 HydrophobicContact CE2-CD1 4.37Å; Y307-L311 PolarHBondContact O-N 3.31Å; Y308-L311 HydrophobicContact CD1-CD1 3.97Å; Y308-L311 HydrophobicContact CE1-CD1 4.41Å; Y308-L311 PolarHBondContact O-N 3.09Å; L311-Q315 WeakPolarHBondContact O-CG 3.23Å; L311-Q315 PolarHBondContact O-NE2 2.58Å
312I93.4Very high92.6Very high20 Ų2072.5 Ų72.510%0.10337%0.365CS..Hα-helixtrans-72.8-40.3176.6-70.4158.9000111.2F270 I274 Y308 A309 K310 E314 Q315 W317 V322 M324F270-I312 HydrophobicContact CD1-CD1 4.3Å; F270-I312 HydrophobicContact CE1-CD1 4.02Å; I274-I312 HydrophobicContact CD1-CG1 3.97Å; I274-I312 HydrophobicContact CG1-CG1 4Å; Y308-I312 WeakPolarHBondContact O-CB 3.14Å; Y308-I312 WeakPolarHBondContact O-CD1 3.46Å; Y308-I312 WeakPolarHBondContact O-CG1 3.44Å; Y308-I312 PolarHBondContact O-N 3.01Å; A309-I312 PolarHBondContact O-N 2.99Å; K310-I312 PolarHBondContact O-N 2.88Å; I312-E314 PolarHBondContact O-N 3.35Å; I312-Q315 WeakPolarHBondContact O-CB 3.44Å; I312-Q315 PolarHBondContact O-N 2.61Å; I312-W317 HydrophobicContact CG2-CZ3 4.29Å; I312-V322 HydrophobicContact CD1-CG1 4.19Å; I312-V322 HydrophobicContact CG2-CB 3.83Å; I312-V322 HydrophobicContact CG2-CG1 4.26Å; I312-V322 HydrophobicContact CG2-CG2 3.95Å; I312-M324 HydrophobicContact CD1-CE 3.39Å
313Q92Very high93.1Very high156 Ų15672.1 Ų72.173%0.72936%0.359SS*.Hα-helixtrans-65.2-25.8176.4-76.4173-2.100113.2A309 K310 Q315A309-Q313 WeakPolarHBondContact O-CB 3.47Å; A309-Q313 VanDerWaalsContact O-CG 3.24Å; A309-Q313 WeakPolarHBondContact O-CG 3.41Å; A309-Q313 PolarHBondContact O-N 3.37Å; K310-Q313 PolarHBondContact O-N 3.47Å; K310-Q313 VanDerWaalsContact O-N 3.09Å; Q313-Q315 PolarHBondContact O-N 2.74Å
314E93Very high93.5Very high131 Ų13169.5 Ų69.561%0.61234%0.338SS*.THydrogen-bonded Turntrans-73.7-11.8174.1-70.9166.3-171.200112.7K310 I312K310-E314 WeakPolarHBondContact O-CG 3.22Å; K310-E314 PolarHBondContact O-N 2.73Å; I312-E314 PolarHBondContact O-N 3.35Å
315Q92.8Very high93.7Very high55 Ų5567.3 Ų67.326%0.25733%0.327SS..  trans-86138.9178.6-50.6-57.1-4700111.5I274 L311 I312 Q313 W317I274-Q315 HydrophobicContact CG2-CG 4.41Å; L311-Q315 WeakPolarHBondContact O-CG 3.23Å; L311-Q315 PolarHBondContact O-NE2 2.58Å; I312-Q315 WeakPolarHBondContact O-CB 3.44Å; I312-Q315 PolarHBondContact O-N 2.61Å; Q313-Q315 PolarHBondContact O-N 2.74Å; Q315-W317 HydrophobicContact CB-CD2 3.74Å; Q315-W317 HydrophobicContact CB-CE3 4.17Å; Q315-W317 HydrophobicContact CB-CG 4.17Å; Q315-W317 HydrophobicContact CB-CH2 4.27Å; Q315-W317 HydrophobicContact CB-CZ2 3.85Å; Q315-W317 HydrophobicContact CB-CZ3 4.4Å; Q315-W317 HydrophobicContact CG-CD2 4.37Å; Q315-W317 HydrophobicContact CG-CH2 3.89Å; Q315-W317 HydrophobicContact CG-CZ2 3.53Å; Q315-W317 HydrophobicContact CG-CZ3 4.42Å
316N92.3Very high93.7Very high153 Ų15370.4 Ų70.482%0.81834%0.336SS*.  trans-106.556.7177.7-69.5-49.4000111.6
317W95.2Very high93.7Very high40 Ų4067.3 Ų67.315%0.15231%0.313CS..  trans-76141.3-179.4-61.2-32.7000112.3I274 L277 E278 D281 I312 Q315 V320 V322I274-W317 HydrophobicContact CG2-CH2 4.12Å; I274-W317 HydrophobicContact CG2-CZ2 4.05Å; I274-W317 WeakPolarHBondContact O-CZ2 3.1Å; L277-W317 HydrophobicContact CB-CH2 3.7Å; L277-W317 HydrophobicContact CB-CZ2 3.83Å; L277-W317 HydrophobicContact CB-CZ3 4.11Å; L277-W317 HydrophobicContact CD1-CH2 3.9Å; L277-W317 HydrophobicContact CD1-CZ3 3.96Å; L277-W317 HydrophobicContact CG-CH2 4.48Å; E278-W317 HydrophobicContact CB-CZ2 4.28Å; D281-W317 HydrophobicContact CB-CB 4.35Å; D281-W317 HydrophobicContact CB-CG 4.18Å; D281-W317 WeakPolarHBondContact OD1-CB 3.49Å; D281-W317 WeakPolarHBondContact OD2-CA 3.31Å; I312-W317 HydrophobicContact CG2-CZ3 4.29Å; Q315-W317 HydrophobicContact CB-CD2 3.74Å; Q315-W317 HydrophobicContact CB-CE3 4.17Å; Q315-W317 HydrophobicContact CB-CG 4.17Å; Q315-W317 HydrophobicContact CB-CH2 4.27Å; Q315-W317 HydrophobicContact CB-CZ2 3.85Å; Q315-W317 HydrophobicContact CB-CZ3 4.4Å; Q315-W317 HydrophobicContact CG-CD2 4.37Å; Q315-W317 HydrophobicContact CG-CH2 3.89Å; Q315-W317 HydrophobicContact CG-CZ2 3.53Å; Q315-W317 HydrophobicContact CG-CZ3 4.42Å; W317-V320 HydrophobicContact CB-CB 3.99Å; W317-V320 WeakPolarHBondContact CB-O 3.38Å; W317-V320 HydrophobicContact CD2-CB 4.19Å; W317-V320 HydrophobicContact CD2-CG1 4.36Å; W317-V320 HydrophobicContact CE3-CB 3.97Å; W317-V320 HydrophobicContact CE3-CG1 3.7Å; W317-V320 HydrophobicContact CG-CB 4.25Å; W317-V320 HydrophobicContact CZ3-CG1 4.12Å; W317-V322 HydrophobicContact CE3-CG2 4.22Å; W317-V322 HydrophobicContact CZ3-CG2 3.6Å
318K94.8Very high93.5Very high143 Ų14366.8 Ų66.862%0.62232%0.315SS*.SBendtrans-103-30.9-179.3-66.6180-175.4170.70113.2D281 E285D281-K318 PolarHBondContact OD1-N 2.97Å; D281-K318 PolarHBondContact OD2-N 3.25Å; E285-K318 IonicContact OE1-NZ 2.68Å; E285-K318 PolarHBondContact OE1-NZ 2.7Å
319H95.7Very high93.1Very high51 Ų5173.2 Ų73.224%0.23634%0.34CS..SBendtrans-111.2-5.6-176.3-65.3-83000112.5D281 A284 E285 S293 I294D281-H319 WeakPolarHBondContact OD1-CA 3.39Å; D281-H319 WeakPolarHBondContact OD1-CB 3.38Å; D281-H319 PolarHBondContact OD1-N 2.92Å; A284-H319 HydrophobicContact CB-CB 3.63Å; E285-H319 WeakPolarHBondContact CA-NE2 3.45Å; S293-H319 CarbonylContact C-O 3.6Å; S293-H319 WeakPolarHBondContact CA-O 3.24Å; S293-H319 WeakPolarHBondContact CB-O 3.31Å; I294-H319 PolarHBondContact N-O 3.45Å
320V97.2Very high92.9Very high6 Ų676 Ų764%0.03636%0.357CS..EExtended strand (participates in β ladder)trans-119.3124.6176.5-179.70000110.6L277 Y280 D281 I294 W317 V322L277-V320 HydrophobicContact CB-CG1 4.22Å; L277-V320 HydrophobicContact CD1-CG1 4.27Å; L277-V320 HydrophobicContact CD2-CG1 3.86Å; L277-V320 HydrophobicContact CG-CG1 4.32Å; Y280-V320 HydrophobicContact CD1-CG2 4Å; D281-V320 HydrophobicContact CB-CG2 4.01Å; D281-V320 PolarHBondContact OD1-N 3.48Å; I294-V320 HydrophobicContact CB-CG2 4.43Å; W317-V320 HydrophobicContact CB-CB 3.99Å; W317-V320 WeakPolarHBondContact CB-O 3.38Å; W317-V320 HydrophobicContact CD2-CB 4.19Å; W317-V320 HydrophobicContact CD2-CG1 4.36Å; W317-V320 HydrophobicContact CE3-CB 3.97Å; W317-V320 HydrophobicContact CE3-CG1 3.7Å; W317-V320 HydrophobicContact CG-CB 4.25Å; W317-V320 HydrophobicContact CZ3-CG1 4.12Å; V320-V322 HydrophobicContact CG1-CG2 4.26Å
321E96.1Very high92.9Very high84 Ų8470.5 Ų70.539%0.39334%0.335SS..EExtended strand (participates in β ladder)trans-116.6126.5169.4-75.2174-122.100109.9V220 R232 I294 V295 F296V220-E321 HydrophobicContact CG2-CB 4.45Å; R232-E321 IonicContact CZ-OE1 3.28Å; R232-E321 IonicContact CZ-OE2 2.91Å; R232-E321 VanDerWaalsContact NH1-CD 3.34Å; R232-E321 IonicContact NH1-OE1 3.42Å; R232-E321 PolarHBondContact NH1-OE1 3.17Å; R232-E321 IonicContact NH1-OE2 3.31Å; R232-E321 PolarHBondContact NH1-OE2 3.29Å; R232-E321 IonicContact NH2-OE1 2.89Å; R232-E321 PolarHBondContact NH2-OE1 3.36Å; R232-E321 IonicContact NH2-OE2 3.06Å; I294-E321 PolarHBondContact O-N 2.87Å; V295-E321 CarbonylContact C-O 3.45Å; V295-E321 WeakPolarHBondContact CA-O 3.49Å; F296-E321 PolarHBondContact N-O 3.46Å
322V95.9Very high92.9Very high37 Ų3770 Ų7022%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-102.8130.5177.7-175.60000110.2L277 F296 V298 I312 W317 V320L277-V322 HydrophobicContact CD1-CG2 4.13Å; F296-V322 HydrophobicContact CB-CG2 4.28Å; F296-V322 HydrophobicContact CD1-CG1 4.07Å; F296-V322 HydrophobicContact CD1-CG2 4.07Å; F296-V322 WeakPolarHBondContact O-CA 3.33Å; V298-V322 HydrophobicContact CG2-CG1 4.06Å; I312-V322 HydrophobicContact CD1-CG1 4.19Å; I312-V322 HydrophobicContact CG2-CB 3.83Å; I312-V322 HydrophobicContact CG2-CG1 4.26Å; I312-V322 HydrophobicContact CG2-CG2 3.95Å; W317-V322 HydrophobicContact CE3-CG2 4.22Å; W317-V322 HydrophobicContact CZ3-CG2 3.6Å; V320-V322 HydrophobicContact CG1-CG2 4.26Å
323V95.1Very high93Very high13 Ų1369.2 Ų69.28%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-120.2126173.259.20000109.9Y218 V220 F221 V295 F296 A297 V298 L325Y218-V323 HydrophobicContact CD1-CG2 3.78Å; Y218-V323 HydrophobicContact CE1-CG2 4.47Å; Y218-V323 HydrophobicContact CG-CG2 4.21Å; V220-V323 HydrophobicContact CG1-CB 3.9Å; V220-V323 HydrophobicContact CG1-CG1 3.98Å; V220-V323 HydrophobicContact CG1-CG2 3.9Å; F221-V323 HydrophobicContact CZ-CG1 4.15Å; V295-V323 HydrophobicContact CG1-CG1 4.13Å; F296-V323 PolarHBondContact O-N 2.79Å; A297-V323 CarbonylContact C-O 3.57Å; A297-V323 WeakPolarHBondContact CA-O 3.45Å; A297-V323 HydrophobicContact CB-CG1 3.67Å; V298-V323 PolarHBondContact N-O 2.94Å; V323-L325 HydrophobicContact CG1-CD2 3.93Å; V323-L325 HydrophobicContact CG2-CB 4.27Å; V323-L325 HydrophobicContact CG2-CD2 4.16Å
324M93.9Very high93.3Very high43 Ų4363.4 Ų63.421%0.21230%0.301CS..EExtended strand (participates in β ladder)trans-99110.2171.4-61.2-172.6-174.200108.6W264 V298 Q305 A309 I312W264-M324 HydrophobicContact CH2-CE 3.62Å; W264-M324 HydrophobicContact CH2-SD 3.96Å; W264-M324 HydrophobicContact CZ2-CE 4.13Å; W264-M324 HydrophobicContact CZ2-CG 4.25Å; W264-M324 HydrophobicContact CZ2-SD 3.85Å; W264-M324 HydrophobicContact CZ3-CE 4.48Å; V298-M324 WeakPolarHBondContact O-CA 3.23Å; Q305-M324 HydrophobicContact CG-SD 3.95Å; A309-M324 VanDerWaalsContact CA-CE 3.48Å; A309-M324 HydrophobicContact CB-CE 3.77Å; A309-M324 HydrophobicContact CB-SD 3.88Å; I312-M324 HydrophobicContact CD1-CE 3.39Å
325L93.1Very high93.5Very high5 Ų557.1 Ų57.13%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-125.1148.7-17160.288.4000112.7Y218 F221 A297 V298 T299 V323 L327 F335Y218-L325 HydrophobicContact CD1-CB 4.2Å; Y218-L325 HydrophobicContact CD2-CB 4.36Å; Y218-L325 HydrophobicContact CE1-CB 3.63Å; Y218-L325 HydrophobicContact CE2-CB 3.84Å; Y218-L325 VanDerWaalsContact CZ-CB 3.44Å; F221-L325 HydrophobicContact CE2-CD2 3.79Å; F221-L325 HydrophobicContact CZ-CD2 3.59Å; A297-L325 HydrophobicContact CB-CD2 3.95Å; V298-L325 PolarHBondContact O-N 2.83Å; T299-L325 WeakPolarHBondContact CA-O 3.17Å; T299-L325 HydrophobicContact CG2-CD1 3.81Å; T299-L325 HydrophobicContact CG2-CG 4.5Å; V323-L325 HydrophobicContact CG1-CD2 3.93Å; V323-L325 HydrophobicContact CG2-CB 4.27Å; V323-L325 HydrophobicContact CG2-CD2 4.16Å; L325-L327 HydrophobicContact CD1-CD1 3.57Å; L325-L327 HydrophobicContact CD1-CD2 3.64Å; L325-L327 HydrophobicContact CD1-CG 3.32Å; L325-F335 HydrophobicContact CD1-CE1 4.41Å; L325-F335 HydrophobicContact CD2-CE1 4.23Å; L325-F335 HydrophobicContact CD2-CE2 4.33Å; L325-F335 HydrophobicContact CD2-CZ 3.79Å
326W90.1Very high93.7Very high125 Ų12554.5 Ų54.547%0.47326%0.26SS..  trans-103131.2168.6-176.1-101.5000109.5Y218 R301Y218-W326 PolarHBondContact OH-N 2.95Å; Y218-W326 PolarHBondContact OH-O 2.76Å; R301-W326 HydrophobicContact CB-CZ3 4.15Å; R301-W326 VanDerWaalsContact CD-CZ3 3.46Å; R301-W326 HydrophobicContact CG-CE3 3.57Å; R301-W326 HydrophobicContact CG-CH2 4.29Å; R301-W326 HydrophobicContact CG-CZ3 3.4Å; R301-W326 VanDerWaalsContact NE-CD2 3.27Å; R301-W326 VanDerWaalsContact NE-CH2 3.32Å; R301-W326 VanDerWaalsContact NH2-CZ2 3.27Å; R301-W326 VanDerWaalsContact NH2-NE1 3.12Å
327L90.9Very high93.9Very high15 Ų1547.3 Ų47.38%0.07922%0.221CC..  trans-113.7142.8176.5-64.6169.7000109.7L214 T299 L325 D331 Y332 F335L214-L327 HydrophobicContact CD1-CD2 4.14Å; L214-L327 HydrophobicContact CD2-CD2 3.77Å; T299-L327 HydrophobicContact CG2-CD1 4.12Å; L325-L327 HydrophobicContact CD1-CD1 3.57Å; L325-L327 HydrophobicContact CD1-CD2 3.64Å; L325-L327 HydrophobicContact CD1-CG 3.32Å; L327-D331 HydrophobicContact CB-CB 4.46Å; L327-D331 HydrophobicContact CD2-CB 4.3Å; L327-Y332 HydrophobicContact CD1-CD2 4.11Å; L327-F335 HydrophobicContact CD1-CB 3.51Å; L327-F335 HydrophobicContact CD1-CD1 3.62Å; L327-F335 HydrophobicContact CD1-CD2 4.47Å; L327-F335 HydrophobicContact CD1-CE1 4.48Å; L327-F335 HydrophobicContact CD1-CG 3.61Å
328E88.2Confident94Very high112 Ų11245.4 Ų45.452%0.52321%0.214SC..  trans-66.3153.3162.9-64.2178.7150.400109.3K213 S330 D331 Y332K213-E328 IonicContact NZ-OE2 2.81Å; K213-E328 PolarHBondContact NZ-OE2 2.81Å; E328-S330 PolarHBondContact O-N 3.23Å; E328-D331 PolarHBondContact O-N 2.6Å; E328-Y332 PolarHBondContact O-N 2.6Å
329W84.6Confident94.1Very high149 Ų14938.6 Ų38.656%0.56419%0.185SC*.THydrogen-bonded Turntrans-56.5-38.6-177.1-179.1-96.4000112.7E198 F199 D331 Y332 P333E198-W329 WeakPolarHBondContact OE1-CZ2 3.39Å; E198-W329 PolarHBondContact OE1-NE1 2.67Å; F199-W329 HydrophobicContact CE2-CH2 4.4Å; F199-W329 HydrophobicContact CE2-CZ2 4.32Å; F199-W329 HydrophobicContact CZ-CH2 4.38Å; W329-D331 VanDerWaalsContact C-N 3.31Å; W329-D331 PolarHBondContact O-N 2.89Å; W329-Y332 PolarHBondContact O-N 2.93Å; W329-P333 WeakPolarHBondContact O-CD 3.22Å
330S89.2Confident94.2Very high79 Ų7936.2 Ų36.255%0.55217%0.174SC*.THydrogen-bonded Turntrans-66.4-30.5177.452.90000113.8E328E328-S330 PolarHBondContact O-N 3.23Å
331D94Very high94.2Very high22 Ų2236 Ų3612%0.11817%0.172CC..Hα-helixtrans-85.9-25.6-177.9-65.5-7.8000111.5L210 K213 L327 E328 W329 V334 F335L210-D331 HydrophobicContact CD1-CB 3.89Å; K213-D331 WeakPolarHBondContact CE-OD2 3.4Å; K213-D331 IonicContact NZ-OD1 3.19Å; K213-D331 PolarHBondContact NZ-OD1 3.32Å; K213-D331 IonicContact NZ-OD2 2.67Å; K213-D331 PolarHBondContact NZ-OD2 3.21Å; L327-D331 HydrophobicContact CB-CB 4.46Å; L327-D331 HydrophobicContact CD2-CB 4.3Å; E328-D331 PolarHBondContact O-N 2.6Å; W329-D331 VanDerWaalsContact C-N 3.31Å; W329-D331 PolarHBondContact O-N 2.89Å; D331-V334 PolarHBondContact O-N 2.89Å; D331-F335 WeakPolarHBondContact O-CB 3.47Å; D331-F335 PolarHBondContact O-N 3.03Å
332Y94.4Very high94.3Very high30 Ų3032 Ų3212%0.11815%0.153CC..Hα-helixtrans-59.7-54.3-174.8175-103.6000113.4F199 S261 L327 E328 W329 V334 F335 L336F199-Y332 AromaticContact CE1-CD1 3.9Å; F199-Y332 HydrophobicContact CE1-CD1 3.9Å; F199-Y332 AromaticContact CE1-CE1 3.69Å; F199-Y332 HydrophobicContact CE1-CE1 3.69Å; F199-Y332 AromaticContact CZ-CD1 3.87Å; F199-Y332 HydrophobicContact CZ-CD1 3.87Å; F199-Y332 AromaticContact CZ-CE1 3.8Å; F199-Y332 HydrophobicContact CZ-CE1 3.8Å; S261-Y332 WeakPolarHBondContact OG-CE2 3.46Å; S261-Y332 PolarHBondContact OG-OH 3.31Å; L327-Y332 HydrophobicContact CD1-CD2 4.11Å; E328-Y332 PolarHBondContact O-N 2.6Å; W329-Y332 PolarHBondContact O-N 2.93Å; Y332-V334 VanDerWaalsContact C-N 3.25Å; Y332-V334 PolarHBondContact O-N 3.43Å; Y332-F335 PolarHBondContact O-N 3.22Å; Y332-L336 HydrophobicContact CD1-CD1 4.45Å; Y332-L336 HydrophobicContact CD2-CD2 4.47Å; Y332-L336 HydrophobicContact CD2-CG 4.42Å; Y332-L336 HydrophobicContact CE1-CD1 3.8Å; Y332-L336 HydrophobicContact CE1-CG 4.34Å; Y332-L336 HydrophobicContact CE2-CD1 4.22Å; Y332-L336 HydrophobicContact CE2-CD2 3.9Å; Y332-L336 HydrophobicContact CE2-CG 4.09Å; Y332-L336 WeakPolarHBondContact O-CG 3.4Å; Y332-L336 PolarHBondContact O-N 2.9Å
333P95.5Very high94.3Very high4 Ų430.4 Ų30.43%0.02614%0.144CC..Hα-helixtrans-58.4-37.8176.7-23.432.5000113E198 F199 W329 G337E198-P333 HydrophobicContact CB-CG 4.39Å; E198-P333 HydrophobicContact CG-CG 4.04Å; E198-P333 WeakPolarHBondContact O-CB 3.49Å; F199-P333 HydrophobicContact CD1-CB 3.94Å; F199-P333 HydrophobicContact CD1-CG 4.29Å; F199-P333 HydrophobicContact CD2-CG 4.37Å; F199-P333 HydrophobicContact CE1-CB 4.07Å; F199-P333 HydrophobicContact CE1-CG 4Å; F199-P333 HydrophobicContact CE2-CG 4.1Å; F199-P333 HydrophobicContact CG-CB 4.19Å; F199-P333 HydrophobicContact CG-CG 4.47Å; F199-P333 HydrophobicContact CZ-CB 4.45Å; F199-P333 HydrophobicContact CZ-CG 3.92Å; W329-P333 WeakPolarHBondContact O-CD 3.22Å; P333-G337 PolarHBondContact O-N 2.92Å; P333-G337 VanDerWaalsContact O-N 3.11Å
334V97Very high94.3Very high34 Ų3429.9 Ų29.921%0.20614%0.141CC..Hα-helixtrans-65.4-48.9178.6-1790000110.3T202 V206 L210 D331 Y332 L336 G337 C338T202-V334 HydrophobicContact CG2-CG1 3.58Å; T202-V334 WeakPolarHBondContact OG1-CA 3.46Å; T202-V334 PolarHBondContact OG1-O 3.25Å; V206-V334 HydrophobicContact CG1-CG1 3.6Å; V206-V334 HydrophobicContact CG1-CG2 4.45Å; L210-V334 HydrophobicContact CB-CG1 4.31Å; L210-V334 HydrophobicContact CD2-CB 3.95Å; L210-V334 HydrophobicContact CD2-CG1 3.61Å; D331-V334 PolarHBondContact O-N 2.89Å; Y332-V334 VanDerWaalsContact C-N 3.25Å; Y332-V334 PolarHBondContact O-N 3.43Å; V334-L336 VanDerWaalsContact C-N 3.33Å; V334-L336 PolarHBondContact O-N 3.35Å; V334-G337 PolarHBondContact O-N 2.81Å; V334-G337 VanDerWaalsContact O-N 3.11Å; V334-C338 PolarHBondContact O-N 2.84Å; V334-C338 VanDerWaalsContact O-N 3.16Å; V334-C338 PolarHBondContact O-SG 3.19Å
335F97.6Very high94.2Very high0 Ų028 Ų280%013%0.131CC..Hα-helixtrans-61.1-42178.7-171.2-101.5000112.1L210 F211 L214 F221 L257 V259 A297 T299 L325 L327 D331 Y332 G337 C338L210-F335 HydrophobicContact CD2-CB 3.81Å; L210-F335 HydrophobicContact CD2-CD2 4.12Å; L210-F335 HydrophobicContact CD2-CG 4.49Å; F211-F335 HydrophobicContact CE1-CE2 4.24Å; L214-F335 HydrophobicContact CD1-CD2 3.61Å; L214-F335 HydrophobicContact CD1-CE2 3.76Å; F221-F335 AromaticContact CE1-CE2 3.86Å; F221-F335 HydrophobicContact CE1-CE2 3.86Å; F221-F335 HydrophobicContact CE1-CZ 4.13Å; F221-F335 AromaticContact CZ-CE2 3.73Å; F221-F335 HydrophobicContact CZ-CE2 3.73Å; F221-F335 AromaticContact CZ-CZ 3.85Å; F221-F335 HydrophobicContact CZ-CZ 3.85Å; L257-F335 HydrophobicContact CD1-CZ 4.25Å; L257-F335 HydrophobicContact CD2-CZ 4.4Å; V259-F335 HydrophobicContact CG1-CD1 4.39Å; V259-F335 HydrophobicContact CG1-CE1 4.15Å; V259-F335 HydrophobicContact CG2-CD1 4.24Å; V259-F335 HydrophobicContact CG2-CE1 3.64Å; V259-F335 HydrophobicContact CG2-CZ 4.36Å; A297-F335 HydrophobicContact CB-CE1 3.73Å; A297-F335 HydrophobicContact CB-CZ 3.63Å; T299-F335 HydrophobicContact CG2-CE1 4.47Å; L325-F335 HydrophobicContact CD1-CE1 4.41Å; L325-F335 HydrophobicContact CD2-CE1 4.23Å; L325-F335 HydrophobicContact CD2-CE2 4.33Å; L325-F335 HydrophobicContact CD2-CZ 3.79Å; L327-F335 HydrophobicContact CD1-CB 3.51Å; L327-F335 HydrophobicContact CD1-CD1 3.62Å; L327-F335 HydrophobicContact CD1-CD2 4.47Å; L327-F335 HydrophobicContact CD1-CE1 4.48Å; L327-F335 HydrophobicContact CD1-CG 3.61Å; D331-F335 WeakPolarHBondContact O-CB 3.47Å; D331-F335 PolarHBondContact O-N 3.03Å; Y332-F335 PolarHBondContact O-N 3.22Å; F335-G337 VanDerWaalsContact C-N 3.3Å; F335-G337 PolarHBondContact O-N 2.81Å; F335-C338 VanDerWaalsContact O-CB 3.31Å; F335-C338 WeakPolarHBondContact O-CB 3.25Å; F335-C338 PolarHBondContact O-N 3.49Å; F335-C338 VanDerWaalsContact O-N 3.14Å
336L97.4Very high94Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-58.1-45.3174.5-66.7-166.4000110.6F199 V259 Y332 V334 C338 A339 D360 L361 V364 V366F199-L336 HydrophobicContact CD1-CD1 4.29Å; F199-L336 HydrophobicContact CE1-CD1 3.89Å; V259-L336 HydrophobicContact CG1-CD2 3.65Å; Y332-L336 HydrophobicContact CD1-CD1 4.45Å; Y332-L336 HydrophobicContact CD2-CD2 4.47Å; Y332-L336 HydrophobicContact CD2-CG 4.42Å; Y332-L336 HydrophobicContact CE1-CD1 3.8Å; Y332-L336 HydrophobicContact CE1-CG 4.34Å; Y332-L336 HydrophobicContact CE2-CD1 4.22Å; Y332-L336 HydrophobicContact CE2-CD2 3.9Å; Y332-L336 HydrophobicContact CE2-CG 4.09Å; Y332-L336 WeakPolarHBondContact O-CG 3.4Å; Y332-L336 PolarHBondContact O-N 2.9Å; V334-L336 VanDerWaalsContact C-N 3.33Å; V334-L336 PolarHBondContact O-N 3.35Å; L336-C338 PolarHBondContact O-N 3.44Å; L336-A339 VanDerWaalsContact O-CB 3.29Å; L336-A339 WeakPolarHBondContact O-CB 3.37Å; L336-A339 PolarHBondContact O-N 3.11Å; L336-D360 HydrophobicContact CD1-CB 3.74Å; L336-L361 HydrophobicContact CB-CD2 4.44Å; L336-L361 HydrophobicContact CD1-CD2 4.42Å; L336-L361 HydrophobicContact CD1-CG 4.48Å; L336-L361 HydrophobicContact CD2-CD2 4.12Å; L336-V364 HydrophobicContact CB-CG1 4.5Å; L336-V364 HydrophobicContact CB-CG2 3.86Å; L336-V366 VanDerWaalsContact O-CG2 3.29Å; L336-V366 WeakPolarHBondContact O-CG2 3.29Å
337G96.3Very high93.9Very high1 Ų130.8 Ų30.81%0.0114%0.143CC..Hα-helixtrans-65.6-18179.100000114.7T202 P333 V334 F335T202-G337 WeakPolarHBondContact OG1-CA 3.23Å; P333-G337 PolarHBondContact O-N 2.92Å; P333-G337 VanDerWaalsContact O-N 3.11Å; V334-G337 PolarHBondContact O-N 2.81Å; V334-G337 VanDerWaalsContact O-N 3.11Å; F335-G337 VanDerWaalsContact C-N 3.3Å; F335-G337 PolarHBondContact O-N 2.81Å
338C96.7Very high93.9Very high0 Ų030.5 Ų30.50%014%0.142CC..Hα-helixtrans-73.1-28.7172.1-62.60000113.1A207 F211 W250 L257 V334 F335 L336 R419A207-C338 WeakPolarHBondContact CB-SG 3.41Å; F211-C338 HydrophobicContact CE1-CB 4.41Å; F211-C338 HydrophobicContact CE2-CB 4.33Å; F211-C338 HydrophobicContact CZ-CB 3.7Å; W250-C338 HydrophobicContact CH2-CB 4.16Å; W250-C338 WeakPolarHBondContact CH2-O 3.28Å; L257-C338 HydrophobicContact CD2-CB 3.97Å; V334-C338 PolarHBondContact O-N 2.84Å; V334-C338 VanDerWaalsContact O-N 3.16Å; V334-C338 PolarHBondContact O-SG 3.19Å; F335-C338 VanDerWaalsContact O-CB 3.31Å; F335-C338 WeakPolarHBondContact O-CB 3.25Å; F335-C338 PolarHBondContact O-N 3.49Å; F335-C338 VanDerWaalsContact O-N 3.14Å; L336-C338 PolarHBondContact O-N 3.44Å; C338-R419 PolarHBondContact O-NH1 3.19Å
339A97.5Very high94Very high0 Ų026.3 Ų26.30%013%0.125CC..  trans-64.8145-171.100000113.3L257 V259 L336 V366 R432L257-A339 HydrophobicContact CG-CB 4.39Å; V259-A339 HydrophobicContact CB-CB 3.94Å; V259-A339 HydrophobicContact CG2-CB 3.43Å; V259-A339 VanDerWaalsContact CG2-CB 3.43Å; L336-A339 VanDerWaalsContact O-CB 3.29Å; L336-A339 WeakPolarHBondContact O-CB 3.37Å; L336-A339 PolarHBondContact O-N 3.11Å; A339-V366 HydrophobicContact CB-CG1 4.16Å; A339-V366 HydrophobicContact CB-CG2 4.34Å; A339-V366 VanDerWaalsContact O-CG2 3.3Å; A339-V366 WeakPolarHBondContact O-CG2 3.48Å; A339-R432 PolarHBondContact O-NH2 2.81Å
340D96.8Very high94.3Very high1 Ų120.6 Ų20.61%0.00511%0.107CC..SBendtrans-78.1-38.7172.6-63.4-53000111.8R254 A256 L257 L403 V423R254-D340 IonicContact CZ-OD1 2.63Å; R254-D340 IonicContact CZ-OD2 2.72Å; R254-D340 IonicContact NH1-OD1 2.76Å; R254-D340 IonicContact NH1-OD2 2.76Å; R254-D340 PolarHBondContact NH1-OD2 2.82Å; R254-D340 VanDerWaalsContact NH2-CG 3.31Å; R254-D340 IonicContact NH2-OD1 3.77Å; R254-D340 PolarHBondContact NH2-OD1 2.83Å; R254-D340 IonicContact NH2-OD2 3.87Å; R254-D340 PolarHBondContact NH2-OD2 3.49Å; A256-D340 WeakPolarHBondContact CA-OD2 3.01Å; L257-D340 PolarHBondContact N-OD2 2.85Å; L257-D340 PolarHBondContact O-N 2.98Å; D340-L403 HydrophobicContact CB-CD2 4.42Å; D340-V423 HydrophobicContact CB-CG1 4.08Å
341L97.5Very high94.5Very high1 Ų117.8 Ų17.81%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-143.7136.2-176.1-171.167.6000110.2L257 V258 V259 P367 L369 M399 L402 L403 L428L257-L341 PolarHBondContact O-N 2.77Å; V258-L341 CarbonylContact C-O 3.58Å; V258-L341 VanDerWaalsContact CA-O 3.3Å; V258-L341 WeakPolarHBondContact CA-O 3.14Å; V258-L341 HydrophobicContact CG1-CB 4.49Å; V258-L341 HydrophobicContact CG2-CB 4.31Å; V259-L341 PolarHBondContact N-O 3.43Å; L341-P367 HydrophobicContact CD1-CB 4.34Å; L341-L369 HydrophobicContact CD1-CG 4.16Å; L341-L369 HydrophobicContact CD2-CD1 3.77Å; L341-L369 HydrophobicContact CD2-CG 4.02Å; L341-L369 HydrophobicContact CG-CG 4.32Å; L341-M399 HydrophobicContact CD2-CG 4.29Å; L341-L402 HydrophobicContact CD1-CD1 3.86Å; L341-L402 HydrophobicContact CD2-CD1 4.47Å; L341-L403 HydrophobicContact CB-CD2 4.24Å; L341-L403 HydrophobicContact CD2-CD2 4.35Å; L341-L403 HydrophobicContact CD2-CG 4.47Å; L341-L428 HydrophobicContact CD1-CD1 3.9Å
342G97.9Very high94.6Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-97.2148.2172.600000111.7V259 P367 V368 L369V259-G342 CarbonylContact O-C 3.57Å; V259-G342 WeakPolarHBondContact O-CA 3.34Å; G342-P367 PolarHBondContact N-O 3.17Å; G342-V368 CarbonylContact O-C 3.58Å; G342-V368 WeakPolarHBondContact O-CA 3.26Å; G342-L369 PolarHBondContact O-N 3.4Å
343L97.2Very high94.6Very high5 Ų517.6 Ų17.63%0.0269%0.092CC..EExtended strand (participates in β ladder)trans-126.1124.8175.7-178.165.2000111V259 S260 A273 F296 I345 L369 F389 L395V259-L343 PolarHBondContact O-N 3.08Å; S260-L343 WeakPolarHBondContact CA-O 3.41Å; S260-L343 WeakPolarHBondContact CB-O 3.49Å; S260-L343 PolarHBondContact OG-O 3.29Å; A273-L343 HydrophobicContact CB-CD2 4.08Å; F296-L343 HydrophobicContact CE2-CB 4.35Å; F296-L343 HydrophobicContact CE2-CD2 3.83Å; F296-L343 HydrophobicContact CZ-CD2 3.7Å; L343-I345 HydrophobicContact CD1-CG1 4.44Å; L343-I345 HydrophobicContact CD2-CD1 3.97Å; L343-I345 HydrophobicContact CD2-CG1 3.97Å; L343-I345 HydrophobicContact CG-CD1 4.44Å; L343-I345 HydrophobicContact CG-CG1 3.92Å; L343-L369 WeakPolarHBondContact CA-O 3.27Å; L343-L369 HydrophobicContact CD1-CB 3.97Å; L343-L369 WeakPolarHBondContact CD1-O 3.46Å; L343-F389 HydrophobicContact CD1-CE1 3.54Å; L343-F389 HydrophobicContact CD1-CZ 3.75Å; L343-L395 HydrophobicContact CD1-CD1 3.57Å; L343-L395 HydrophobicContact CD1-CD2 3.94Å; L343-L395 HydrophobicContact CD1-CG 4.44Å; L343-L395 HydrophobicContact CD2-CD2 4.21Å
344S95.1Very high94.5Very high2 Ų218.1 Ų18.11%0.01410%0.095CC..EExtended strand (participates in β ladder)trans-118.3104.5173.5176.20000110.9V358 L369 A370 L371S344-V358 VanDerWaalsContact CB-CG2 3.46Å; S344-L369 PolarHBondContact N-O 3.02Å; S344-A370 CarbonylContact O-C 3.5Å; S344-A370 WeakPolarHBondContact O-CA 3.33Å; S344-L371 PolarHBondContact O-N 3.25Å
345I92.2Very high94.3Very high2 Ų216.8 Ų16.81%0.019%0.087CC..  trans-90.18.2176-44168.2000111.1D269 F270 L272 A273 L343 R347 L371D269-I345 WeakPolarHBondContact O-CG2 3.15Å; F270-I345 HydrophobicContact CD2-CD1 3.62Å; F270-I345 HydrophobicContact CE2-CD1 3.78Å; F270-I345 HydrophobicContact CG-CD1 4.38Å; L272-I345 HydrophobicContact CD1-CG2 4.34Å; A273-I345 HydrophobicContact CB-CD1 3.45Å; A273-I345 VanDerWaalsContact CB-CD1 3.45Å; L343-I345 HydrophobicContact CD1-CG1 4.44Å; L343-I345 HydrophobicContact CD2-CD1 3.97Å; L343-I345 HydrophobicContact CD2-CG1 3.97Å; L343-I345 HydrophobicContact CG-CD1 4.44Å; L343-I345 HydrophobicContact CG-CG1 3.92Å; I345-R347 PolarHBondContact O-N 2.97Å; I345-L371 WeakPolarHBondContact O-CD2 3.25Å
346H88.7Confident94Very high26 Ų2619.7 Ų19.712%0.1210%0.101CC..BIsolated β-bridgetrans-64.3123.5-174.6179.567.2000111.6D267 D268 D353 P355 K357D267-H346 IonicContact OD2-CE1 3.77Å; D267-H346 PolarHBondContact OD2-CE1 3.16Å; D267-H346 IonicContact OD2-ND1 3.78Å; D267-H346 PolarHBondContact OD2-ND1 3.21Å; D268-H346 VanDerWaalsContact OD1-CA 3.3Å; D268-H346 WeakPolarHBondContact OD1-CA 3.2Å; D268-H346 PolarHBondContact OD1-N 3.47Å; H346-D353 IonicContact NE2-OD2 2.8Å; H346-P355 HydrophobicContact CB-CB 4.17Å; H346-K357 HydrophobicContact CB-CD 4.28Å
347R87.1Confident93.7Very high164 Ų16421 Ų2162%0.61911%0.107SC*.PPolyproline II helixtrans-102117170.2-171.8175.8-179.4174.62111.1D267 I345 S349 L371D267-R347 WeakPolarHBondContact O-CB 2.82Å; D267-R347 PolarHBondContact O-N 3.44Å; D267-R347 VanDerWaalsContact O-N 3.14Å; I345-R347 PolarHBondContact O-N 2.97Å; R347-S349 PolarHBondContact O-N 2.66Å; R347-L371 HydrophobicContact CB-CD2 4Å
348S90.8Very high93.7Very high8 Ų821 Ų216%0.05611%0.106CC..PPolyproline II helixtrans-59.8123.7171179.50000111.7S350 G351 L352 D353S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 3.28Å; S348-G351 PolarHBondContact O-N 2.95Å; S348-G351 VanDerWaalsContact OG-CA 3.23Å; S348-G351 WeakPolarHBondContact OG-CA 3.48Å; S348-G351 PolarHBondContact OG-N 3.27Å; S348-L352 PolarHBondContact OG-N 3.25Å; S348-D353 WeakPolarHBondContact CA-OD1 3.31Å; S348-D353 WeakPolarHBondContact CB-OD1 3.45Å; S348-D353 PolarHBondContact OG-OD1 3.33Å
349S89.6Confident93.6Very high25 Ų2521.2 Ų21.218%0.17511%0.108CC..SBendtrans-63.5-33176.770.90000113.4N129 T133 R347N129-S349 PolarHBondContact ND2-OG 2.6Å; N129-S349 PolarHBondContact OD1-OG 2.94Å; T133-S349 WeakPolarHBondContact CB-OG 3.38Å; T133-S349 PolarHBondContact OG1-OG 3.27Å; R347-S349 PolarHBondContact O-N 2.66Å
350S92.1Very high93.5Very high28 Ų2822.3 Ų22.320%0.19611%0.113CC..SBendtrans-98.9-15.2178.257.30000113.3N129 S348 L352N129-S350 WeakPolarHBondContact OD1-CB 3.37Å; N129-S350 PolarHBondContact OD1-OG 3.32Å; S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 3.28Å; S350-L352 PolarHBondContact O-N 3.47Å; S350-L352 PolarHBondContact OG-N 3.33Å
351G94Very high93.5Very high20 Ų2022.3 Ų22.321%0.20611%0.113CC..SBendtrans74.84.6-166.600000114S348 T375S348-G351 PolarHBondContact O-N 2.95Å; S348-G351 VanDerWaalsContact OG-CA 3.23Å; S348-G351 WeakPolarHBondContact OG-CA 3.48Å; S348-G351 PolarHBondContact OG-N 3.27Å; G351-T375 VanDerWaalsContact O-CB 3.24Å; G351-T375 WeakPolarHBondContact O-CB 3.43Å; G351-T375 PolarHBondContact O-OG1 3.22Å
352L95.4Very high93.5Very high28 Ų2822.2 Ų22.215%0.14711%0.113CC..  trans-115-10.6-167.5-59.1171.6000114.7Y130 S174 A176 L177 D180 S348 S350Y130-L352 HydrophobicContact CD2-CD1 4.37Å; Y130-L352 HydrophobicContact CE2-CD1 3.78Å; S174-L352 WeakPolarHBondContact CB-O 3.28Å; S174-L352 PolarHBondContact OG-O 3.28Å; A176-L352 HydrophobicContact CB-CD2 3.88Å; L177-L352 HydrophobicContact CB-CB 4.14Å; L177-L352 HydrophobicContact CD1-CB 4.17Å; L177-L352 HydrophobicContact CD1-CD1 4.03Å; D180-L352 HydrophobicContact CB-CD1 3.77Å; D180-L352 HydrophobicContact CB-CD2 4.41Å; S348-L352 PolarHBondContact OG-N 3.25Å; S350-L352 PolarHBondContact O-N 3.47Å; S350-L352 PolarHBondContact OG-N 3.33Å
353D94Very high93.4Very high20 Ų2022.2 Ų22.211%0.10711%0.113CC..  trans-97.3175.317972.1-22.5000112.7H128 N129 V173 H346 S348 Y373H128-D353 WeakPolarHBondContact O-CB 3.38Å; N129-D353 HydrophobicContact CB-CB 4.4Å; N129-D353 PolarHBondContact ND2-OD1 2.88Å; N129-D353 PolarHBondContact ND2-OD2 2.79Å; V173-D353 HydrophobicContact CG2-CB 4.11Å; H346-D353 IonicContact NE2-OD2 2.8Å; S348-D353 WeakPolarHBondContact CA-OD1 3.31Å; S348-D353 WeakPolarHBondContact CB-OD1 3.45Å; S348-D353 PolarHBondContact OG-OD1 3.33Å; D353-Y373 VanDerWaalsContact O-CE2 3.23Å; D353-Y373 WeakPolarHBondContact O-CE2 3.36Å; D353-Y373 PolarHBondContact O-OH 3.37Å
354L93.6Very high93.4Very high16 Ų1622 Ų228%0.08411%0.112CC..  trans-127.8132.2-176-68.9174000110.6Y192 M356 T375 E378 L379Y192-L354 HydrophobicContact CD1-CD1 3.75Å; Y192-L354 HydrophobicContact CE1-CD1 3.86Å; L354-M356 PolarHBondContact O-N 3.32Å; L354-T375 HydrophobicContact CD2-CG2 3.99Å; L354-T375 WeakPolarHBondContact CD2-O 3.48Å; L354-T375 HydrophobicContact CG-CG2 4.37Å; L354-E378 HydrophobicContact CD1-CB 4.26Å; L354-E378 HydrophobicContact CD2-CB 4.39Å; L354-L379 HydrophobicContact CB-CD2 4.39Å; L354-L379 HydrophobicContact CD1-CB 4.29Å; L354-L379 HydrophobicContact CD2-CB 3.81Å
355P92.4Very high93.4Very high6 Ų623 Ų234%0.03912%0.117CC..  trans-72.2113.8-177.126.1-36.5000111.4H346 K357 V358 V359 Y373 L376 L379H346-P355 HydrophobicContact CB-CB 4.17Å; P355-K357 HydrophobicContact CB-CG 3.95Å; P355-K357 PolarHBondContact O-N 2.92Å; P355-K357 VanDerWaalsContact O-N 3.17Å; P355-V358 HydrophobicContact CB-CB 4.46Å; P355-V358 HydrophobicContact CB-CG2 3.95Å; P355-V358 HydrophobicContact CG-CB 3.93Å; P355-V358 HydrophobicContact CG-CG2 3.42Å; P355-V358 VanDerWaalsContact CG-CG2 3.42Å; P355-V358 WeakPolarHBondContact O-CB 3.29Å; P355-V358 PolarHBondContact O-N 3.43Å; P355-V359 PolarHBondContact O-N 3.33Å; P355-Y373 WeakPolarHBondContact CD-OH 3.46Å; P355-L376 HydrophobicContact CG-CD1 4.21Å; P355-L379 HydrophobicContact CG-CD2 4.34Å
356M91.8Very high93.7Very high61 Ų6122.9 Ų22.930%0.312%0.117SC..Hα-helixtrans-55-33.8173.4-68.3-176.76900112.6P19 R20 D193 L354 V358 V359 D360P19-M356 HydrophobicContact CB-CE 4.29Å; P19-M356 HydrophobicContact CG-CE 3.9Å; P19-M356 HydrophobicContact CG-SD 4.19Å; R20-M356 HydrophobicContact CB-CE 4.24Å; R20-M356 HydrophobicContact CB-SD 4.26Å; D193-M356 HydrophobicContact CB-CG 4.27Å; L354-M356 PolarHBondContact O-N 3.32Å; M356-V358 PolarHBondContact O-N 2.78Å; M356-V359 WeakPolarHBondContact O-CA 3.39Å; M356-V359 VanDerWaalsContact O-CB 3.26Å; M356-V359 WeakPolarHBondContact O-CB 3.28Å; M356-V359 PolarHBondContact O-N 3.06Å; M356-D360 PolarHBondContact O-N 3.45Å
357K91.6Very high94.1Very high28 Ų2821.7 Ų21.712%0.12211%0.111CC..Hα-helixtrans-56.8-34.1176.262.2-178.481.8174.50113S261 D268 H346 P355 L361S261-K357 VanDerWaalsContact O-CD 3.28Å; S261-K357 WeakPolarHBondContact O-CD 3.44Å; S261-K357 WeakPolarHBondContact O-CE 3.44Å; S261-K357 PolarHBondContact O-NZ 2.77Å; D268-K357 IonicContact OD1-NZ 2.82Å; D268-K357 PolarHBondContact OD1-NZ 2.8Å; D268-K357 IonicContact OD2-NZ 3.94Å; D268-K357 PolarHBondContact OD2-NZ 3.25Å; H346-K357 HydrophobicContact CB-CD 4.28Å; P355-K357 HydrophobicContact CB-CG 3.95Å; P355-K357 PolarHBondContact O-N 2.92Å; P355-K357 VanDerWaalsContact O-N 3.17Å; K357-L361 WeakPolarHBondContact O-CD1 3.3Å; K357-L361 WeakPolarHBondContact O-CG 3.48Å; K357-L361 PolarHBondContact O-N 2.9Å
358V95.4Very high94.6Very high0 Ų013.9 Ų13.90%08%0.081CC..Hα-helixtrans-72.6-42.7174.8175.80000109.9S344 P355 M356 D360 L361 L362 V368 L379 M380S344-V358 VanDerWaalsContact CB-CG2 3.46Å; P355-V358 HydrophobicContact CB-CB 4.46Å; P355-V358 HydrophobicContact CB-CG2 3.95Å; P355-V358 HydrophobicContact CG-CB 3.93Å; P355-V358 HydrophobicContact CG-CG2 3.42Å; P355-V358 VanDerWaalsContact CG-CG2 3.42Å; P355-V358 WeakPolarHBondContact O-CB 3.29Å; P355-V358 PolarHBondContact O-N 3.43Å; M356-V358 PolarHBondContact O-N 2.78Å; V358-D360 PolarHBondContact O-N 2.94Å; V358-L361 PolarHBondContact O-N 3.3Å; V358-L362 HydrophobicContact CG1-CD1 4.15Å; V358-L362 HydrophobicContact CG1-CG 4.02Å; V358-L362 WeakPolarHBondContact O-CB 3.42Å; V358-L362 VanDerWaalsContact O-CG 3.25Å; V358-L362 WeakPolarHBondContact O-CG 3.06Å; V358-L362 PolarHBondContact O-N 2.82Å; V358-V368 HydrophobicContact CG1-CG1 4.48Å; V358-V368 HydrophobicContact CG1-CG2 4.48Å; V358-V368 HydrophobicContact CG2-CG1 4.14Å; V358-L379 HydrophobicContact CB-CD2 3.69Å; V358-L379 HydrophobicContact CG1-CD2 3.62Å; V358-L379 HydrophobicContact CG1-CG 3.99Å; V358-M380 HydrophobicContact CG1-CG 3.69Å; V358-M380 HydrophobicContact CG1-SD 3.48Å; V358-M380 WeakPolarHBondContact CG1-SD 3.17Å
359V95.4Very high94.9Very high5 Ų513.5 Ų13.53%0.038%0.079CC..Hα-helixtrans-54-44.3175.7-177.90000111.2D193 P195 P355 M356 G363 L379D193-V359 HydrophobicContact CB-CG2 4.09Å; P195-V359 HydrophobicContact CB-CG1 4.35Å; P195-V359 HydrophobicContact CG-CG1 4.46Å; P355-V359 PolarHBondContact O-N 3.33Å; M356-V359 WeakPolarHBondContact O-CA 3.39Å; M356-V359 VanDerWaalsContact O-CB 3.26Å; M356-V359 WeakPolarHBondContact O-CB 3.28Å; M356-V359 PolarHBondContact O-N 3.06Å; V359-G363 PolarHBondContact O-N 2.94Å; V359-L379 HydrophobicContact CG2-CD1 3.76Å; V359-L379 HydrophobicContact CG2-CD2 3.81Å; V359-L379 HydrophobicContact CG2-CG 4.48Å
360D95.4Very high95.2Very high22 Ų2212.4 Ų12.412%0.1187%0.071CC..Hα-helixtrans-62.6-52.5178.7-67-10.4000111.9F199 L336 M356 V358 L362 G363 V364F199-D360 HydrophobicContact CD1-CB 3.7Å; F199-D360 HydrophobicContact CE1-CB 3.46Å; F199-D360 VanDerWaalsContact CE1-CB 3.46Å; F199-D360 VanDerWaalsContact CE1-CG 3.44Å; F199-D360 HydrophobicContact CZ-CB 4.2Å; L336-D360 HydrophobicContact CD1-CB 3.74Å; M356-D360 PolarHBondContact O-N 3.45Å; V358-D360 PolarHBondContact O-N 2.94Å; D360-L362 PolarHBondContact O-N 3.25Å; D360-G363 WeakPolarHBondContact O-CA 3.43Å; D360-G363 PolarHBondContact O-N 3.36Å; D360-G363 VanDerWaalsContact O-N 3.08Å; D360-V364 PolarHBondContact O-N 3.02Å
361L97.2Very high95.3Very high1 Ų112.1 Ų12.11%0.0057%0.067CC..Hα-helixtrans-59.8-45.7179-75161.5000112L336 K357 V358 G363 V364 V366 V368L336-L361 HydrophobicContact CB-CD2 4.44Å; L336-L361 HydrophobicContact CD1-CD2 4.42Å; L336-L361 HydrophobicContact CD1-CG 4.48Å; L336-L361 HydrophobicContact CD2-CD2 4.12Å; K357-L361 WeakPolarHBondContact O-CD1 3.3Å; K357-L361 WeakPolarHBondContact O-CG 3.48Å; K357-L361 PolarHBondContact O-N 2.9Å; V358-L361 PolarHBondContact O-N 3.3Å; L361-G363 VanDerWaalsContact C-N 3.26Å; L361-G363 PolarHBondContact O-N 2.82Å; L361-V364 WeakPolarHBondContact O-CG2 3.49Å; L361-V364 PolarHBondContact O-N 3.43Å; L361-V366 CarbonylContact C-O 3.53Å; L361-V366 HydrophobicContact CD2-CB 4.18Å; L361-V366 HydrophobicContact CD2-CG1 3.93Å; L361-V366 PolarHBondContact O-N 3.49Å; L361-V368 HydrophobicContact CB-CG2 3.53Å; L361-V368 HydrophobicContact CD1-CG2 3.86Å; L361-V368 HydrophobicContact CG-CG2 4.29Å
362L96.8Very high95.3Very high0 Ų012.4 Ų12.40%07%0.071CC..Hα-helixtrans-63.3-36.1175.6-61.5-164.8000111V358 D360 V364 N365 V368 L379 M380 Y385 L435 N439V358-L362 HydrophobicContact CG1-CD1 4.15Å; V358-L362 HydrophobicContact CG1-CG 4.02Å; V358-L362 WeakPolarHBondContact O-CB 3.42Å; V358-L362 VanDerWaalsContact O-CG 3.25Å; V358-L362 WeakPolarHBondContact O-CG 3.06Å; V358-L362 PolarHBondContact O-N 2.82Å; D360-L362 PolarHBondContact O-N 3.25Å; L362-V364 VanDerWaalsContact C-N 3.26Å; L362-V364 PolarHBondContact O-N 2.99Å; L362-N365 PolarHBondContact O-N 3.06Å; L362-V368 HydrophobicContact CD2-CB 4.4Å; L362-V368 HydrophobicContact CD2-CG2 3.73Å; L362-L379 HydrophobicContact CD1-CD1 4.49Å; L362-M380 HydrophobicContact CD1-CG 4.21Å; L362-Y385 HydrophobicContact CD1-CD2 4.3Å; L362-Y385 HydrophobicContact CD1-CG 4.49Å; L362-L435 HydrophobicContact CB-CD2 3.97Å; L362-L435 HydrophobicContact CD1-CD2 4.49Å; L362-L435 HydrophobicContact CD2-CD1 4.16Å; L362-L435 HydrophobicContact CD2-CD2 3.81Å; L362-L435 HydrophobicContact CG-CD2 4.27Å; L362-N439 PolarHBondContact O-ND2 2.91Å
363G96.4Very high95.2Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-61.6-30.8178.800000114.2F199 V359 D360 L361 N439 R444F199-G363 CarbonylContact O-C 3.59Å; F199-G363 VanDerWaalsContact O-C 3.25Å; V359-G363 PolarHBondContact O-N 2.94Å; D360-G363 WeakPolarHBondContact O-CA 3.43Å; D360-G363 PolarHBondContact O-N 3.36Å; D360-G363 VanDerWaalsContact O-N 3.08Å; L361-G363 VanDerWaalsContact C-N 3.26Å; L361-G363 PolarHBondContact O-N 2.82Å; G363-N439 PolarHBondContact O-ND2 2.72Å; G363-R444 PolarHBondContact O-NH2 2.82Å
364V96.6Very high95.1Very high1 Ų116.3 Ų16.31%0.00610%0.101CC..THydrogen-bonded Turntrans-96.614.4179.2-59.30000113.9F199 K200 L336 D360 L361 L362 V366F199-V364 HydrophobicContact CB-CG1 3.93Å; F199-V364 HydrophobicContact CD1-CG1 4.02Å; F199-V364 HydrophobicContact CG-CG1 4.46Å; K200-V364 WeakPolarHBondContact O-CG1 3.45Å; L336-V364 HydrophobicContact CB-CG1 4.5Å; L336-V364 HydrophobicContact CB-CG2 3.86Å; D360-V364 PolarHBondContact O-N 3.02Å; L361-V364 WeakPolarHBondContact O-CG2 3.49Å; L361-V364 PolarHBondContact O-N 3.43Å; L362-V364 VanDerWaalsContact C-N 3.26Å; L362-V364 PolarHBondContact O-N 2.99Å; V364-V366 HydrophobicContact CG2-CB 4.19Å; V364-V366 HydrophobicContact CG2-CG2 3.89Å
365N96Very high95.1Very high22 Ų2215.9 Ų15.912%0.11810%0.099CC..THydrogen-bonded Turntrans62.333.7-176.2-62.9-2.8000114.7P201 L362 L435 A436 N439P201-N365 HydrophobicContact CG-CB 4.07Å; P201-N365 VanDerWaalsContact CG-CG 3.47Å; P201-N365 WeakPolarHBondContact CG-ND2 3.47Å; L362-N365 PolarHBondContact O-N 3.06Å; N365-L435 HydrophobicContact CB-CB 4.37Å; N365-A436 WeakPolarHBondContact ND2-CA 3.41Å; N365-N439 PolarHBondContact OD1-ND2 2.81Å
366V97.1Very high95.2Very high0 Ų015.8 Ų15.80%010%0.098CC..  trans-103.4120.4174.6174.60000110.3L336 A339 L361 V364L336-V366 VanDerWaalsContact O-CG2 3.29Å; L336-V366 WeakPolarHBondContact O-CG2 3.29Å; A339-V366 HydrophobicContact CB-CG1 4.16Å; A339-V366 HydrophobicContact CB-CG2 4.34Å; A339-V366 VanDerWaalsContact O-CG2 3.3Å; A339-V366 WeakPolarHBondContact O-CG2 3.48Å; L361-V366 CarbonylContact C-O 3.53Å; L361-V366 HydrophobicContact CD2-CB 4.18Å; L361-V366 HydrophobicContact CD2-CG1 3.93Å; L361-V366 PolarHBondContact O-N 3.49Å; V364-V366 HydrophobicContact CG2-CB 4.19Å; V364-V366 HydrophobicContact CG2-CG2 3.89Å
367P97.2Very high95.3Very high0 Ų016.6 Ų16.60%011%0.11CC..  trans-63.2151174.2-22.435.3000111.4L341 G342 Y385 L428 F431 R432 L435L341-P367 HydrophobicContact CD1-CB 4.34Å; G342-P367 PolarHBondContact N-O 3.17Å; P367-Y385 VanDerWaalsContact CA-O 3.28Å; P367-Y385 WeakPolarHBondContact CA-O 3.35Å; P367-L428 HydrophobicContact CB-CD1 3.99Å; P367-L428 HydrophobicContact CG-CD1 3.8Å; P367-F431 HydrophobicContact CB-CB 3.77Å; P367-F431 HydrophobicContact CB-CD2 4.05Å; P367-F431 HydrophobicContact CB-CG 4.4Å; P367-F431 HydrophobicContact CG-CB 3.62Å; P367-R432 HydrophobicContact CG-CG 3.54Å; P367-L435 HydrophobicContact CB-CD1 4.5Å; P367-L435 HydrophobicContact CG-CD1 4.18Å
368V97.6Very high95.5Very high0 Ų018 Ų180%012%0.117CC..EExtended strand (participates in β ladder)trans-124.1135.1-172.2-1790000111.8G342 V358 L361 L362 A370 M380 Y385 G386 L387G342-V368 CarbonylContact O-C 3.58Å; G342-V368 WeakPolarHBondContact O-CA 3.26Å; V358-V368 HydrophobicContact CG1-CG1 4.48Å; V358-V368 HydrophobicContact CG1-CG2 4.48Å; V358-V368 HydrophobicContact CG2-CG1 4.14Å; L361-V368 HydrophobicContact CB-CG2 3.53Å; L361-V368 HydrophobicContact CD1-CG2 3.86Å; L361-V368 HydrophobicContact CG-CG2 4.29Å; L362-V368 HydrophobicContact CD2-CB 4.4Å; L362-V368 HydrophobicContact CD2-CG2 3.73Å; V368-A370 HydrophobicContact CG1-CB 4.12Å; V368-M380 HydrophobicContact CB-CE 3.85Å; V368-M380 HydrophobicContact CB-SD 4.19Å; V368-M380 HydrophobicContact CG1-CE 4.3Å; V368-M380 HydrophobicContact CG1-SD 4.21Å; V368-M380 VanDerWaalsContact O-CE 3.3Å; V368-M380 WeakPolarHBondContact O-CE 3.41Å; V368-Y385 PolarHBondContact N-O 2.87Å; V368-G386 CarbonylContact O-C 3.6Å; V368-G386 WeakPolarHBondContact O-CA 3.44Å; V368-L387 PolarHBondContact O-N 3.27Å
369L97.6Very high95.4Very high1 Ų119 Ų191%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-92.1122.3156.8-62.5-173.5000107.9L341 G342 L343 S344 L387 F389 L395 Q398 M399 L402L341-L369 HydrophobicContact CD1-CG 4.16Å; L341-L369 HydrophobicContact CD2-CD1 3.77Å; L341-L369 HydrophobicContact CD2-CG 4.02Å; L341-L369 HydrophobicContact CG-CG 4.32Å; G342-L369 PolarHBondContact O-N 3.4Å; L343-L369 WeakPolarHBondContact CA-O 3.27Å; L343-L369 HydrophobicContact CD1-CB 3.97Å; L343-L369 WeakPolarHBondContact CD1-O 3.46Å; S344-L369 PolarHBondContact N-O 3.02Å; L369-L387 WeakPolarHBondContact CA-O 3.22Å; L369-L387 HydrophobicContact CD2-CB 3.66Å; L369-L387 HydrophobicContact CD2-CD1 4.3Å; L369-L387 HydrophobicContact CD2-CG 4.28Å; L369-F389 HydrophobicContact CB-CD1 4.06Å; L369-F389 HydrophobicContact CB-CE1 4.1Å; L369-L395 HydrophobicContact CB-CD1 3.97Å; L369-L395 HydrophobicContact CD1-CD1 3.55Å; L369-L395 HydrophobicContact CG-CD1 4.41Å; L369-Q398 HydrophobicContact CD1-CB 3.91Å; L369-Q398 HydrophobicContact CD2-CB 4.09Å; L369-M399 HydrophobicContact CD1-CG 3.65Å; L369-L402 HydrophobicContact CD1-CD1 4.41Å; L369-L402 HydrophobicContact CD2-CD1 3.63Å; L369-L402 HydrophobicContact CG-CD1 4.21Å
370A96.2Very high95.3Very high1 Ų119 Ų191%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-126.1139.8-17600000112S344 V368 G372 L376 M380 L387 C388 F389S344-A370 CarbonylContact O-C 3.5Å; S344-A370 WeakPolarHBondContact O-CA 3.33Å; V368-A370 HydrophobicContact CG1-CB 4.12Å; A370-G372 PolarHBondContact O-N 3.25Å; A370-L376 HydrophobicContact CB-CD1 4.5Å; A370-L376 HydrophobicContact CB-CD2 3.68Å; A370-M380 HydrophobicContact CB-CE 4.32Å; A370-M380 HydrophobicContact CB-SD 3.71Å; A370-L387 PolarHBondContact N-O 3.04Å; A370-C388 CarbonylContact O-C 3.59Å; A370-C388 VanDerWaalsContact O-CA 3.23Å; A370-C388 WeakPolarHBondContact O-CA 3.44Å; A370-F389 WeakPolarHBondContact O-CD1 3.42Å; A370-F389 PolarHBondContact O-N 2.92Å
371L94.9Very high95Very high22 Ų2222.4 Ų22.412%0.11514%0.137CC..EExtended strand (participates in β ladder)trans-62.3119.9172.6-178.166.3000109L272 S344 I345 R347 Y373 F389L272-L371 HydrophobicContact CD1-CD1 4.08Å; S344-L371 PolarHBondContact O-N 3.25Å; I345-L371 WeakPolarHBondContact O-CD2 3.25Å; R347-L371 HydrophobicContact CB-CD2 4Å; L371-Y373 WeakPolarHBondContact O-CD1 3.29Å; L371-F389 CarbonylContact C-O 3.59Å; L371-F389 WeakPolarHBondContact CA-O 3.43Å; L371-F389 HydrophobicContact CB-CE2 4.17Å; L371-F389 HydrophobicContact CB-CZ 4.05Å; L371-F389 HydrophobicContact CD1-CD2 4.22Å; L371-F389 HydrophobicContact CD1-CE2 3.92Å
372G93.6Very high94.5Very high27 Ų2727.8 Ų27.828%0.27817%0.166SC..  trans-69.1134.6-172.800000113.1A370 F389A370-G372 PolarHBondContact O-N 3.25Å; G372-F389 PolarHBondContact N-O 2.77Å
373Y93.2Very high94.3Very high40 Ų4032 Ų3216%0.15719%0.189CC..  trans-156.5160.6166.366.2-83.4000109.9D353 P355 L371 T375 L376D353-Y373 VanDerWaalsContact O-CE2 3.23Å; D353-Y373 WeakPolarHBondContact O-CE2 3.36Å; D353-Y373 PolarHBondContact O-OH 3.37Å; P355-Y373 WeakPolarHBondContact CD-OH 3.46Å; L371-Y373 WeakPolarHBondContact O-CD1 3.29Å; Y373-T375 VanDerWaalsContact C-N 3.33Å; Y373-T375 PolarHBondContact O-N 3.09Å; Y373-T375 VanDerWaalsContact O-N 3.09Å; Y373-L376 HydrophobicContact CD1-CB 4.11Å; Y373-L376 HydrophobicContact CE1-CB 3.86Å; Y373-L376 HydrophobicContact CE1-CD1 4.12Å; Y373-L376 HydrophobicContact CE1-CD2 4.4Å; Y373-L376 HydrophobicContact CE1-CG 4.35Å; Y373-L376 HydrophobicContact CE2-CB 4.41Å; Y373-L376 HydrophobicContact CG-CB 4.47Å; Y373-L376 VanDerWaalsContact O-CB 3.27Å; Y373-L376 WeakPolarHBondContact O-CB 3.47Å; Y373-L376 PolarHBondContact O-N 3.41Å
374A91.2Very high94.1Very high90 Ų9035.4 Ų35.474%0.74420%0.204SC*.G310 helixtrans-51.2-42.6-163.400000115.5S377A374-S377 PolarHBondContact O-OG 2.98Å
375T94.5Very high94Very high7 Ų736.9 Ų36.94%0.04321%0.209CC..G310 helixtrans-82.7-13.5-175.1-56.40000113.5A176 G351 L354 Y373 S377 E378A176-T375 HydrophobicContact CB-CG2 3.65Å; A176-T375 VanDerWaalsContact CB-OG1 3.24Å; A176-T375 WeakPolarHBondContact CB-OG1 3.43Å; G351-T375 VanDerWaalsContact O-CB 3.24Å; G351-T375 WeakPolarHBondContact O-CB 3.43Å; G351-T375 PolarHBondContact O-OG1 3.22Å; L354-T375 HydrophobicContact CD2-CG2 3.99Å; L354-T375 WeakPolarHBondContact CD2-O 3.48Å; L354-T375 HydrophobicContact CG-CG2 4.37Å; Y373-T375 VanDerWaalsContact C-N 3.33Å; Y373-T375 PolarHBondContact O-N 3.09Å; Y373-T375 VanDerWaalsContact O-N 3.09Å; T375-S377 PolarHBondContact O-N 2.85Å; T375-S377 VanDerWaalsContact O-N 3.09Å; T375-E378 HydrophobicContact CG2-CG 4.26Å; T375-E378 WeakPolarHBondContact O-CB 3.44Å; T375-E378 PolarHBondContact O-N 3.22Å
376L94.1Very high94Very high3 Ų336 Ų362%0.01621%0.205CC..G310 helixtrans-58.1-30.2-176.2-176.760.8000113.1P355 A370 Y373 E378 L379 M380P355-L376 HydrophobicContact CG-CD1 4.21Å; A370-L376 HydrophobicContact CB-CD1 4.5Å; A370-L376 HydrophobicContact CB-CD2 3.68Å; Y373-L376 HydrophobicContact CD1-CB 4.11Å; Y373-L376 HydrophobicContact CE1-CB 3.86Å; Y373-L376 HydrophobicContact CE1-CD1 4.12Å; Y373-L376 HydrophobicContact CE1-CD2 4.4Å; Y373-L376 HydrophobicContact CE1-CG 4.35Å; Y373-L376 HydrophobicContact CE2-CB 4.41Å; Y373-L376 HydrophobicContact CG-CB 4.47Å; Y373-L376 VanDerWaalsContact O-CB 3.27Å; Y373-L376 WeakPolarHBondContact O-CB 3.47Å; Y373-L376 PolarHBondContact O-N 3.41Å; L376-E378 PolarHBondContact O-N 2.92Å; L376-E378 VanDerWaalsContact O-N 3.12Å; L376-L379 PolarHBondContact O-N 2.84Å; L376-M380 HydrophobicContact CD1-CG 4.49Å; L376-M380 HydrophobicContact CD1-SD 4.27Å; L376-M380 PolarHBondContact O-N 3.37Å
377S94.2Very high94Very high79 Ų7936.8 Ų36.855%0.55221%0.209SC*.G310 helixtrans-58.3-20.5175.360.20000114.1A374 T375 L379 M380A374-S377 PolarHBondContact O-OG 2.98Å; T375-S377 PolarHBondContact O-N 2.85Å; T375-S377 VanDerWaalsContact O-N 3.09Å; S377-L379 VanDerWaalsContact C-N 3.28Å; S377-L379 PolarHBondContact O-N 3.41Å; S377-M380 WeakPolarHBondContact CA-O 3.47Å
378E94.8Very high93.9Very high58 Ų5838.9 Ų38.927%0.27122%0.223SC..G310 helixtrans-70.8-23.4172.5-67.5-165.1-14500113.3K175 A176 Y192 L354 T375 L376K175-E378 WeakPolarHBondContact CB-OE1 3.24Å; K175-E378 WeakPolarHBondContact CB-OE2 3.47Å; K175-E378 PolarHBondContact N-OE1 3.5Å; K175-E378 PolarHBondContact N-OE2 3.32Å; A176-E378 WeakPolarHBondContact CB-OE1 3.21Å; A176-E378 PolarHBondContact N-OE1 2.85Å; Y192-E378 HydrophobicContact CE1-CB 4.42Å; Y192-E378 WeakPolarHBondContact CE1-OE2 3.17Å; Y192-E378 PolarHBondContact OH-OE2 3.45Å; L354-E378 HydrophobicContact CD1-CB 4.26Å; L354-E378 HydrophobicContact CD2-CB 4.39Å; T375-E378 HydrophobicContact CG2-CG 4.26Å; T375-E378 WeakPolarHBondContact O-CB 3.44Å; T375-E378 PolarHBondContact O-N 3.22Å; L376-E378 PolarHBondContact O-N 2.92Å; L376-E378 VanDerWaalsContact O-N 3.12Å
379L94.4Very high93.8Very high20 Ų2038.9 Ų38.911%0.10522%0.223CC..THydrogen-bonded Turntrans-105.6-41-178.9177.458000112.5L354 P355 V358 V359 L362 L376 S377L354-L379 HydrophobicContact CB-CD2 4.39Å; L354-L379 HydrophobicContact CD1-CB 4.29Å; L354-L379 HydrophobicContact CD2-CB 3.81Å; P355-L379 HydrophobicContact CG-CD2 4.34Å; V358-L379 HydrophobicContact CB-CD2 3.69Å; V358-L379 HydrophobicContact CG1-CD2 3.62Å; V358-L379 HydrophobicContact CG1-CG 3.99Å; V359-L379 HydrophobicContact CG2-CD1 3.76Å; V359-L379 HydrophobicContact CG2-CD2 3.81Å; V359-L379 HydrophobicContact CG2-CG 4.48Å; L362-L379 HydrophobicContact CD1-CD1 4.49Å; L376-L379 PolarHBondContact O-N 2.84Å; S377-L379 VanDerWaalsContact C-N 3.28Å; S377-L379 PolarHBondContact O-N 3.41Å
380M92.8Very high93.7Very high5 Ų545.9 Ų45.93%0.02526%0.256CS..SBendtrans-115.9112-178.4-71.6-178.565.700110.2V358 L362 V368 A370 L376 S377V358-M380 HydrophobicContact CG1-CG 3.69Å; V358-M380 HydrophobicContact CG1-SD 3.48Å; V358-M380 WeakPolarHBondContact CG1-SD 3.17Å; L362-M380 HydrophobicContact CD1-CG 4.21Å; V368-M380 HydrophobicContact CB-CE 3.85Å; V368-M380 HydrophobicContact CB-SD 4.19Å; V368-M380 HydrophobicContact CG1-CE 4.3Å; V368-M380 HydrophobicContact CG1-SD 4.21Å; V368-M380 VanDerWaalsContact O-CE 3.3Å; V368-M380 WeakPolarHBondContact O-CE 3.41Å; A370-M380 HydrophobicContact CB-CE 4.32Å; A370-M380 HydrophobicContact CB-SD 3.71Å; L376-M380 HydrophobicContact CD1-CG 4.49Å; L376-M380 HydrophobicContact CD1-SD 4.27Å; L376-M380 PolarHBondContact O-N 3.37Å; S377-M380 WeakPolarHBondContact CA-O 3.47Å
381E89.6Confident93.7Very high94 Ų9448.7 Ų48.744%0.43927%0.273SS..  trans-75.1130.9170.3-167.6177.6168.500109.7N383 K384 Y385E381-N383 PolarHBondContact O-N 3.49Å; E381-K384 HydrophobicContact CB-CB 4.41Å; E381-K384 HydrophobicContact CB-CD 4.38Å; E381-K384 VanDerWaalsContact CD-CE 3.43Å; E381-K384 HydrophobicContact CG-CD 4.14Å; E381-K384 HydrophobicContact CG-CG 4.47Å; E381-K384 PolarHBondContact O-N 3.09Å; E381-K384 WeakPolarHBondContact OE1-CE 3.29Å; E381-K384 IonicContact OE1-NZ 3.06Å; E381-K384 PolarHBondContact OE1-NZ 3.24Å; E381-K384 WeakPolarHBondContact OE2-CD 3.42Å; E381-K384 WeakPolarHBondContact OE2-CE 3.23Å; E381-K384 IonicContact OE2-NZ 3.6Å; E381-K384 PolarHBondContact OE2-NZ 2.85Å; E381-Y385 HydrophobicContact CB-CD2 4.37Å; E381-Y385 HydrophobicContact CB-CE2 4.03Å
382D85.7Confident93.8Very high113 Ų11347.7 Ų47.760%0.60427%0.268SS*.THydrogen-bonded Turntrans-54.5134.1-176.7-73.2-12.2000111.7K384D382-K384 PolarHBondContact O-N 2.93Å; D382-K384 VanDerWaalsContact O-N 3.14Å
383N91.8Very high94Very high90 Ų9050.3 Ų50.348%0.48127%0.273SS..THydrogen-bonded Turntrans54.526.6179.7-65.7-64.2000115E381 L387 Y430 F431E381-N383 PolarHBondContact O-N 3.49Å; N383-L387 WeakPolarHBondContact OD1-CD2 3.23Å; N383-Y430 WeakPolarHBondContact O-CE1 3.3Å; N383-F431 VanDerWaalsContact C-CE1 3.44Å; N383-F431 VanDerWaalsContact O-CE1 3.31Å; N383-F431 WeakPolarHBondContact O-CE1 3.33Å
384K92.9Very high94.2Very high71 Ų7151.8 Ų51.831%0.30928%0.281SS..THydrogen-bonded Turntrans-118.4-40.6170.3-69.6-165.4-173.6165.70114.3E381 D382 F431 C434E381-K384 HydrophobicContact CB-CB 4.41Å; E381-K384 HydrophobicContact CB-CD 4.38Å; E381-K384 VanDerWaalsContact CD-CE 3.43Å; E381-K384 HydrophobicContact CG-CD 4.14Å; E381-K384 HydrophobicContact CG-CG 4.47Å; E381-K384 PolarHBondContact O-N 3.09Å; E381-K384 WeakPolarHBondContact OE1-CE 3.29Å; E381-K384 IonicContact OE1-NZ 3.06Å; E381-K384 PolarHBondContact OE1-NZ 3.24Å; E381-K384 WeakPolarHBondContact OE2-CD 3.42Å; E381-K384 WeakPolarHBondContact OE2-CE 3.23Å; E381-K384 IonicContact OE2-NZ 3.6Å; E381-K384 PolarHBondContact OE2-NZ 2.85Å; D382-K384 PolarHBondContact O-N 2.93Å; D382-K384 VanDerWaalsContact O-N 3.14Å; K384-F431 WeakPolarHBondContact O-CA 3.31Å; K384-F431 WeakPolarHBondContact O-CD1 3.28Å; K384-C434 WeakPolarHBondContact O-CB 3.38Å
385Y94.3Very high94.5Very high32 Ų3247.6 Ų47.613%0.12525%0.246CC..SBendtrans-115.32.4-172.5-53.6-35.2000112.7L362 P367 V368 E381 C434 L435 R438L362-Y385 HydrophobicContact CD1-CD2 4.3Å; L362-Y385 HydrophobicContact CD1-CG 4.49Å; P367-Y385 VanDerWaalsContact CA-O 3.28Å; P367-Y385 WeakPolarHBondContact CA-O 3.35Å; V368-Y385 PolarHBondContact N-O 2.87Å; E381-Y385 HydrophobicContact CB-CD2 4.37Å; E381-Y385 HydrophobicContact CB-CE2 4.03Å; Y385-C434 HydrophobicContact CD1-CB 4.32Å; Y385-C434 HydrophobicContact CE1-CB 4.19Å; Y385-L435 HydrophobicContact CD1-CD2 3.48Å; Y385-L435 VanDerWaalsContact CD1-CD2 3.48Å; Y385-L435 HydrophobicContact CD1-CG 3.85Å; Y385-L435 HydrophobicContact CE1-CD2 4.24Å; Y385-L435 HydrophobicContact CG-CD2 3.77Å; Y385-L435 HydrophobicContact CG-CG 4.41Å; Y385-R438 HydrophobicContact CE1-CB 4.27Å
386G96.1Very high94.7Very high2 Ų247.2 Ų47.22%0.02124%0.244CC..EExtended strand (participates in β ladder)trans148.5-166.1-165.700000112.7V368V368-G386 CarbonylContact O-C 3.6Å; V368-G386 WeakPolarHBondContact O-CA 3.44Å
387L97Very high94.8Very high18 Ų1852.2 Ų52.29%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-135.7152178.8-58.5169.5000110.5V368 L369 A370 N383 Q398 L402 F431V368-L387 PolarHBondContact O-N 3.27Å; L369-L387 WeakPolarHBondContact CA-O 3.22Å; L369-L387 HydrophobicContact CD2-CB 3.66Å; L369-L387 HydrophobicContact CD2-CD1 4.3Å; L369-L387 HydrophobicContact CD2-CG 4.28Å; A370-L387 PolarHBondContact N-O 3.04Å; N383-L387 WeakPolarHBondContact OD1-CD2 3.23Å; L387-Q398 HydrophobicContact CD1-CB 4.23Å; L387-Q398 HydrophobicContact CD1-CG 3.84Å; L387-L402 HydrophobicContact CD1-CD1 4.2Å; L387-L402 HydrophobicContact CD1-CG 4.47Å; L387-F431 HydrophobicContact CD2-CE2 4.42Å; L387-F431 HydrophobicContact CD2-CZ 3.94Å; L387-F431 HydrophobicContact CG-CE2 4.01Å; L387-F431 HydrophobicContact CG-CZ 4.05Å
388C96.1Very high95Very high43 Ų4349.5 Ų49.529%0.29125%0.25SC..EExtended strand (participates in β ladder)trans-92.7145.3170-62.40000110.2A370 Q398A370-C388 CarbonylContact O-C 3.59Å; A370-C388 VanDerWaalsContact O-CA 3.23Å; A370-C388 WeakPolarHBondContact O-CA 3.44Å; C388-Q398 PolarHBondContact O-NE2 3.19Å
389F95.7Very high95.1Very high0 Ų046.9 Ų46.90%024%0.237CC..EExtended strand (participates in β ladder)trans-131.8157.6171.567-89.4000111.2L343 L369 A370 L371 G372 Q394 L395L343-F389 HydrophobicContact CD1-CE1 3.54Å; L343-F389 HydrophobicContact CD1-CZ 3.75Å; L369-F389 HydrophobicContact CB-CD1 4.06Å; L369-F389 HydrophobicContact CB-CE1 4.1Å; A370-F389 WeakPolarHBondContact O-CD1 3.42Å; A370-F389 PolarHBondContact O-N 2.92Å; L371-F389 CarbonylContact C-O 3.59Å; L371-F389 WeakPolarHBondContact CA-O 3.43Å; L371-F389 HydrophobicContact CB-CE2 4.17Å; L371-F389 HydrophobicContact CB-CZ 4.05Å; L371-F389 HydrophobicContact CD1-CD2 4.22Å; L371-F389 HydrophobicContact CD1-CE2 3.92Å; G372-F389 PolarHBondContact N-O 2.77Å; F389-Q394 VanDerWaalsContact CA-OE1 3.27Å; F389-Q394 HydrophobicContact CB-CB 4.35Å; F389-Q394 HydrophobicContact CB-CG 4.16Å; F389-L395 HydrophobicContact CB-CB 4.32Å; F389-L395 HydrophobicContact CD1-CB 4.42Å; F389-L395 HydrophobicContact CD1-CD1 3.87Å; F389-L395 HydrophobicContact CD2-CB 3.84Å; F389-L395 HydrophobicContact CD2-CD2 4.39Å; F389-L395 HydrophobicContact CD2-CG 4.5Å; F389-L395 HydrophobicContact CE1-CD1 3.88Å; F389-L395 HydrophobicContact CE1-CD2 4.41Å; F389-L395 HydrophobicContact CE2-CB 4.27Å; F389-L395 HydrophobicContact CE2-CD2 3.96Å; F389-L395 HydrophobicContact CG-CB 3.94Å; F389-L395 HydrophobicContact CG-CD1 4.25Å; F389-L395 HydrophobicContact CZ-CD1 4.27Å; F389-L395 HydrophobicContact CZ-CD2 3.97Å
390E94.8Very high95.2Very high148 Ų14847.1 Ų47.169%0.69224%0.24SC*.SBendtrans-120.2-25.1177.4-63-177-176.200112.4
391T96.2Very high95.4Very high61 Ų6150.8 Ų50.837%0.37426%0.26SS..SBendtrans-128.1160.8-175.968.80000112E393 Q394 L395T391-E393 VanDerWaalsContact C-N 3.27Å; T391-E393 PolarHBondContact O-N 2.85Å; T391-Q394 PolarHBondContact O-N 2.92Å; T391-Q394 WeakPolarHBondContact OG1-CB 3.17Å; T391-Q394 PolarHBondContact OG1-N 2.98Å; T391-Q394 VanDerWaalsContact OG1-N 3.11Å; T391-L395 WeakPolarHBondContact O-CB 3.32Å; T391-L395 PolarHBondContact O-N 3.48Å
392G96.4Very high95.7Very high1 Ų146.3 Ų46.31%0.0124%0.239CC..Hα-helixtrans-63.6-33.4173.900000112.7A276 A396A276-G392 WeakPolarHBondContact CA-O 3.37Å; A276-G392 VanDerWaalsContact CB-O 3.25Å; A276-G392 WeakPolarHBondContact CB-O 3.21Å; G392-A396 WeakPolarHBondContact O-CB 3.2Å; G392-A396 PolarHBondContact O-N 3.49Å
393E97.8Very high96.2Very high81 Ų8141 Ų4138%0.37921%0.21SC..Hα-helixtrans-63.2-50.4174-68.487.1160.700111.7K275 I279 T391 L395 A396 D397K275-E393 VanDerWaalsContact CE-CD 3.42Å; K275-E393 WeakPolarHBondContact CE-OE1 3.23Å; K275-E393 WeakPolarHBondContact CE-OE2 3.37Å; K275-E393 IonicContact NZ-OE1 3.4Å; K275-E393 PolarHBondContact NZ-OE1 2.89Å; K275-E393 IonicContact NZ-OE2 3.33Å; K275-E393 PolarHBondContact NZ-OE2 3.4Å; I279-E393 HydrophobicContact CD1-CB 4.45Å; I279-E393 HydrophobicContact CD1-CG 3.94Å; T391-E393 VanDerWaalsContact C-N 3.27Å; T391-E393 PolarHBondContact O-N 2.85Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.47Å; E393-A396 WeakPolarHBondContact O-CB 3.31Å; E393-A396 PolarHBondContact O-N 2.83Å; E393-A396 VanDerWaalsContact O-N 3.13Å; E393-D397 PolarHBondContact O-N 2.86Å
394Q97.4Very high96.2Very high72 Ų7240.2 Ų40.234%0.33620%0.203SC..Hα-helixtrans-63.2-39.3179.2-172.4-177.824.100111.2F389 T391 D397 Q398F389-Q394 VanDerWaalsContact CA-OE1 3.27Å; F389-Q394 HydrophobicContact CB-CB 4.35Å; F389-Q394 HydrophobicContact CB-CG 4.16Å; T391-Q394 PolarHBondContact O-N 2.92Å; T391-Q394 WeakPolarHBondContact OG1-CB 3.17Å; T391-Q394 PolarHBondContact OG1-N 2.98Å; T391-Q394 VanDerWaalsContact OG1-N 3.11Å; Q394-D397 PolarHBondContact O-N 2.8Å; Q394-Q398 WeakPolarHBondContact O-CB 3.35Å; Q394-Q398 WeakPolarHBondContact O-CG 3.48Å; Q394-Q398 PolarHBondContact O-N 2.91Å
395L97.8Very high95.9Very high1 Ų138.4 Ų38.41%0.00520%0.198CC..Hα-helixtrans-60-45.7173.6175.156.6000111.2A276 L343 L369 F389 T391 E393 Q398 M399A276-L395 HydrophobicContact CB-CB 3.84Å; A276-L395 HydrophobicContact CB-CD2 3.55Å; A276-L395 HydrophobicContact CB-CG 3.53Å; L343-L395 HydrophobicContact CD1-CD1 3.57Å; L343-L395 HydrophobicContact CD1-CD2 3.94Å; L343-L395 HydrophobicContact CD1-CG 4.44Å; L343-L395 HydrophobicContact CD2-CD2 4.21Å; L369-L395 HydrophobicContact CB-CD1 3.97Å; L369-L395 HydrophobicContact CD1-CD1 3.55Å; L369-L395 HydrophobicContact CG-CD1 4.41Å; F389-L395 HydrophobicContact CB-CB 4.32Å; F389-L395 HydrophobicContact CD1-CB 4.42Å; F389-L395 HydrophobicContact CD1-CD1 3.87Å; F389-L395 HydrophobicContact CD2-CB 3.84Å; F389-L395 HydrophobicContact CD2-CD2 4.39Å; F389-L395 HydrophobicContact CD2-CG 4.5Å; F389-L395 HydrophobicContact CE1-CD1 3.88Å; F389-L395 HydrophobicContact CE1-CD2 4.41Å; F389-L395 HydrophobicContact CE2-CB 4.27Å; F389-L395 HydrophobicContact CE2-CD2 3.96Å; F389-L395 HydrophobicContact CG-CB 3.94Å; F389-L395 HydrophobicContact CG-CD1 4.25Å; F389-L395 HydrophobicContact CZ-CD1 4.27Å; F389-L395 HydrophobicContact CZ-CD2 3.97Å; T391-L395 WeakPolarHBondContact O-CB 3.32Å; T391-L395 PolarHBondContact O-N 3.48Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.47Å; L395-Q398 PolarHBondContact O-N 3.44Å; L395-M399 HydrophobicContact CD1-CG 4.07Å; L395-M399 HydrophobicContact CD1-SD 3.98Å; L395-M399 HydrophobicContact CG-SD 4.03Å; L395-M399 WeakPolarHBondContact O-CB 3.48Å; L395-M399 VanDerWaalsContact O-CG 3.25Å; L395-M399 WeakPolarHBondContact O-CG 3.33Å; L395-M399 PolarHBondContact O-N 2.89Å
396A97.9Very high95.1Very high0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-62.3-45.2178.400000112.6A276 I279 G392 E393 Q398 M399 C400A276-A396 HydrophobicContact CB-CB 4.2Å; A276-A396 WeakPolarHBondContact O-CB 3.27Å; I279-A396 HydrophobicContact CB-CB 3.63Å; I279-A396 HydrophobicContact CD1-CB 4.27Å; I279-A396 HydrophobicContact CG2-CB 3.52Å; G392-A396 WeakPolarHBondContact O-CB 3.2Å; G392-A396 PolarHBondContact O-N 3.49Å; E393-A396 WeakPolarHBondContact O-CB 3.31Å; E393-A396 PolarHBondContact O-N 2.83Å; E393-A396 VanDerWaalsContact O-N 3.13Å; A396-Q398 VanDerWaalsContact C-N 3.34Å; A396-Q398 PolarHBondContact O-N 2.9Å; A396-M399 PolarHBondContact O-N 3.47Å; A396-C400 PolarHBondContact O-N 2.9Å; A396-C400 PolarHBondContact O-SG 3.35Å
397D97.6Very high93.7Very high107 Ų10749.8 Ų49.857%0.57224%0.24SC*.Hα-helixtrans-60.6-45.1178.3-73.1-19.7000111E393 Q394 C400 D401E393-D397 PolarHBondContact O-N 2.86Å; Q394-D397 PolarHBondContact O-N 2.8Å; D397-C400 PolarHBondContact O-N 3.06Å; D397-D401 WeakPolarHBondContact O-CB 3.34Å; D397-D401 PolarHBondContact O-N 2.97Å
398Q97.7Very high91.9Very high23 Ų2354.5 Ų54.511%0.10727%0.266CS..Hα-helixtrans-65-39.9176.7-70.9175.51.800112.1L369 L387 C388 Q394 L395 A396 C400 D401 L402L369-Q398 HydrophobicContact CD1-CB 3.91Å; L369-Q398 HydrophobicContact CD2-CB 4.09Å; L387-Q398 HydrophobicContact CD1-CB 4.23Å; L387-Q398 HydrophobicContact CD1-CG 3.84Å; C388-Q398 PolarHBondContact O-NE2 3.19Å; Q394-Q398 WeakPolarHBondContact O-CB 3.35Å; Q394-Q398 WeakPolarHBondContact O-CG 3.48Å; Q394-Q398 PolarHBondContact O-N 2.91Å; L395-Q398 PolarHBondContact O-N 3.44Å; A396-Q398 VanDerWaalsContact C-N 3.34Å; A396-Q398 PolarHBondContact O-N 2.9Å; Q398-C400 VanDerWaalsContact C-N 3.35Å; Q398-D401 PolarHBondContact O-N 3.05Å; Q398-L402 VanDerWaalsContact O-CB 3.31Å; Q398-L402 WeakPolarHBondContact O-CB 3.1Å; Q398-L402 VanDerWaalsContact O-CG 3.25Å; Q398-L402 WeakPolarHBondContact O-CG 3.48Å; Q398-L402 PolarHBondContact O-N 2.83Å
399M97.7Very high90Very high3 Ų358 Ų582%0.01529%0.291CS..Hα-helixtrans-62.8-42.1174.2-73.8177.364.500111.5V258 L277 Y280 I294 L341 L369 L395 A396 L403V258-M399 HydrophobicContact CG2-CE 4.45Å; L277-M399 HydrophobicContact CD2-CE 3.9Å; Y280-M399 HydrophobicContact CD2-CB 3.97Å; Y280-M399 HydrophobicContact CE2-CB 4.3Å; I294-M399 HydrophobicContact CD1-CE 3.41Å; I294-M399 VanDerWaalsContact CD1-CE 3.41Å; L341-M399 HydrophobicContact CD2-CG 4.29Å; L369-M399 HydrophobicContact CD1-CG 3.65Å; L395-M399 HydrophobicContact CD1-CG 4.07Å; L395-M399 HydrophobicContact CD1-SD 3.98Å; L395-M399 HydrophobicContact CG-SD 4.03Å; L395-M399 WeakPolarHBondContact O-CB 3.48Å; L395-M399 VanDerWaalsContact O-CG 3.25Å; L395-M399 WeakPolarHBondContact O-CG 3.33Å; L395-M399 PolarHBondContact O-N 2.89Å; A396-M399 PolarHBondContact O-N 3.47Å; M399-L403 VanDerWaalsContact O-CB 3.26Å; M399-L403 WeakPolarHBondContact O-CB 3.39Å; M399-L403 VanDerWaalsContact O-CG 3.27Å; M399-L403 WeakPolarHBondContact O-CG 3.34Å; M399-L403 PolarHBondContact O-N 3.32Å
400C96.8Very high88Confident24 Ų2463.9 Ų63.916%0.16233%0.327CS..Hα-helixtrans-62.6-47.5175.8-67.60000111.6Y280 L291 A396 D397 Q398 K404Y280-C400 VanDerWaalsContact CD2-SG 3.58Å; L291-C400 HydrophobicContact CD1-CB 4.4Å; L291-C400 HydrophobicContact CD2-CB 4.24Å; L291-C400 WeakPolarHBondContact CD2-O 3.29Å; A396-C400 PolarHBondContact O-N 2.9Å; A396-C400 PolarHBondContact O-SG 3.35Å; D397-C400 PolarHBondContact O-N 3.06Å; Q398-C400 VanDerWaalsContact C-N 3.35Å; C400-K404 VanDerWaalsContact O-CB 3.27Å; C400-K404 WeakPolarHBondContact O-CB 3.36Å; C400-K404 PolarHBondContact O-N 3.27Å
401D95.4Very high86Confident83 Ų8360.4 Ų60.444%0.44431%0.312SS..Hα-helixtrans-63-43.2179.3-177.940.7000112.3D397 Q398 S425D397-D401 WeakPolarHBondContact O-CB 3.34Å; D397-D401 PolarHBondContact O-N 2.97Å; Q398-D401 PolarHBondContact O-N 3.05Å; D401-S425 WeakPolarHBondContact O-CB 3.26Å; D401-S425 PolarHBondContact O-OG 3.29Å
402L96.2Very high84Confident0 Ų066.2 Ų66.20%034%0.335CS..Hα-helixtrans-77.6-37.3-175.8-69179.7000113.6L341 L369 L387 Q398 G424 S425 K427 L428 F431L341-L402 HydrophobicContact CD1-CD1 3.86Å; L341-L402 HydrophobicContact CD2-CD1 4.47Å; L369-L402 HydrophobicContact CD1-CD1 4.41Å; L369-L402 HydrophobicContact CD2-CD1 3.63Å; L369-L402 HydrophobicContact CG-CD1 4.21Å; L387-L402 HydrophobicContact CD1-CD1 4.2Å; L387-L402 HydrophobicContact CD1-CG 4.47Å; Q398-L402 VanDerWaalsContact O-CB 3.31Å; Q398-L402 WeakPolarHBondContact O-CB 3.1Å; Q398-L402 VanDerWaalsContact O-CG 3.25Å; Q398-L402 WeakPolarHBondContact O-CG 3.48Å; Q398-L402 PolarHBondContact O-N 2.83Å; L402-G424 CarbonylContact O-C 3.28Å; L402-G424 WeakPolarHBondContact O-CA 3.48Å; L402-S425 WeakPolarHBondContact CA-OG 3.49Å; L402-S425 PolarHBondContact O-N 2.93Å; L402-S425 PolarHBondContact O-OG 3.44Å; L402-K427 HydrophobicContact CD2-CB 4.02Å; L402-K427 HydrophobicContact CD2-CD 4.05Å; L402-K427 HydrophobicContact CD2-CG 3.89Å; L402-L428 HydrophobicContact CB-CB 4.45Å; L402-L428 HydrophobicContact CB-CD1 4.37Å; L402-L428 HydrophobicContact CD2-CB 4.31Å; L402-L428 WeakPolarHBondContact O-CB 3.38Å; L402-F431 HydrophobicContact CD1-CE2 4.4Å; L402-F431 HydrophobicContact CD2-CD2 4.21Å; L402-F431 HydrophobicContact CD2-CE2 3.8Å
403L96.2Very high82.2Confident0 Ų069.3 Ų69.30%035%0.347CS..Hα-helixtrans-87.1-17.7-173.3-63.1176.6000113.5A256 V258 Y280 P292 I294 D340 L341 M399 P405 V423 G424 L428A256-L403 HydrophobicContact CB-CD1 4.1Å; A256-L403 HydrophobicContact CB-CD2 3.96Å; A256-L403 HydrophobicContact CB-CG 4.47Å; V258-L403 HydrophobicContact CG2-CD1 3.96Å; Y280-L403 HydrophobicContact CE2-CD1 4.09Å; P292-L403 HydrophobicContact CG-CB 4.26Å; I294-L403 HydrophobicContact CD1-CD1 3.57Å; I294-L403 HydrophobicContact CG1-CD1 3.96Å; D340-L403 HydrophobicContact CB-CD2 4.42Å; L341-L403 HydrophobicContact CB-CD2 4.24Å; L341-L403 HydrophobicContact CD2-CD2 4.35Å; L341-L403 HydrophobicContact CD2-CG 4.47Å; M399-L403 VanDerWaalsContact O-CB 3.26Å; M399-L403 WeakPolarHBondContact O-CB 3.39Å; M399-L403 VanDerWaalsContact O-CG 3.27Å; M399-L403 WeakPolarHBondContact O-CG 3.34Å; M399-L403 PolarHBondContact O-N 3.32Å; L403-P405 WeakPolarHBondContact O-CD 3.49Å; L403-V423 HydrophobicContact CD2-CG1 3.96Å; L403-G424 PolarHBondContact O-N 3.46Å; L403-L428 HydrophobicContact CD2-CD2 4.49Å
404K92.9Very high80.3Confident75 Ų7571 Ų7133%0.32636%0.363SS..PPolyproline II helixtrans-64.2121-178.7-173.5163.2178.5156.10111.6S289 L291 C400 G424 S425S289-K404 WeakPolarHBondContact O-CE 3.19Å; S289-K404 PolarHBondContact O-NZ 2.97Å; L291-K404 HydrophobicContact CD2-CB 3.91Å; L291-K404 HydrophobicContact CD2-CD 4.5Å; L291-K404 HydrophobicContact CD2-CG 4.41Å; C400-K404 VanDerWaalsContact O-CB 3.27Å; C400-K404 WeakPolarHBondContact O-CB 3.36Å; C400-K404 PolarHBondContact O-N 3.27Å; K404-G424 CarbonylContact O-C 3.56Å; K404-G424 VanDerWaalsContact O-C 3.28Å; K404-S425 VanDerWaalsContact O-CA 3.32Å; K404-S425 WeakPolarHBondContact O-CA 3.45Å; K404-S425 WeakPolarHBondContact O-CB 3.32Å; K404-S425 PolarHBondContact O-N 3.48Å
405P86Confident78.4Confident32 Ų3272.2 Ų72.221%0.20838%0.378CS..PPolyproline II helixtrans-65.8154.7177.8-19.534.9000111.5G290 L403 S422G290-P405 WeakPolarHBondContact O-CD 3.23Å; L403-P405 WeakPolarHBondContact O-CD 3.49Å; P405-S422 WeakPolarHBondContact CG-O 3.46Å
406R77.3Confident77Confident72 Ų7275.3 Ų75.327%0.27239%0.393SS..PPolyproline II helixtrans-71.7142.5173.2-65-17780.5-175.69.7110.9I411 E426R406-I411 VanDerWaalsContact NH1-CB 3.29Å; R406-E426 HydrophobicContact CG-CG 4.03Å; R406-E426 IonicContact CZ-OE1 2.61Å; R406-E426 VanDerWaalsContact NE-CD 3.33Å; R406-E426 IonicContact NE-OE1 2.89Å; R406-E426 PolarHBondContact NE-OE1 2.99Å; R406-E426 IonicContact NH2-OE1 2.74Å; R406-E426 PolarHBondContact NH2-OE1 3.48Å; R406-E426 IonicContact NH2-OE2 3.97Å
407R66.9Low75.6Confident201 Ų20178.5 Ų78.576%0.75841%0.414SS*.SBendtrans-77.1-21.5171.3-68.4-177.4176.4173-3.1113.1
408N59.5Low74.5Confident118 Ų11874.5 Ų74.563%0.63139%0.394SS*.  trans-122.4129.7-175.6-73.9-11.3000112.4T410N408-T410 VanDerWaalsContact C-N 3.35Å; N408-T410 PolarHBondContact O-N 3.47Å
409S56.4Low73.9Confident117 Ų11773.7 Ų73.782%0.81839%0.39SS*.  trans-85.517.9-170.451.60000115.7I411S409-I411 PolarHBondContact O-N 2.8Å
410T52.8Low73.1Confident123 Ų12374.4 Ų74.476%0.75539%0.393SS*.  trans-77.2-15.8-166.5-38.10000114.8N408 Q412N408-T410 VanDerWaalsContact C-N 3.35Å; N408-T410 PolarHBondContact O-N 3.47Å; T410-Q412 PolarHBondContact O-N 3.4Å
411I53.7Low72Confident75 Ų7578 Ų7839%0.38541%0.41SS..SBendtrans-85.5117.4175.3-69.9-175000109.9R406 S409 Y413R406-I411 VanDerWaalsContact NH1-CB 3.29Å; S409-I411 PolarHBondContact O-N 2.8Å; I411-Y413 PolarHBondContact O-N 2.92Å
412Q53Low71.2Confident182 Ų18274.6 Ų74.685%0.8539%0.393SS*.PPolyproline II helixtrans-71.1117.7166-76.3179.8-19.300109.2T410T410-Q412 PolarHBondContact O-N 3.4Å
413Y59.7Low70.7Confident66 Ų6674.6 Ų74.626%0.25939%0.393SS..PPolyproline II helixtrans-68.5133.9175.5-50.2-87.5000110.3I411 P417 F420 I429I411-Y413 PolarHBondContact O-N 2.92Å; Y413-P417 HydrophobicContact CD2-CB 3.34Å; Y413-P417 HydrophobicContact CE2-CB 4.12Å; Y413-P417 HydrophobicContact CG-CB 3.75Å; Y413-F420 HydrophobicContact CD1-CB 4.12Å; Y413-F420 AromaticContact CD1-CD2 3.79Å; Y413-F420 HydrophobicContact CD1-CD2 3.79Å; Y413-F420 HydrophobicContact CD1-CG 4.35Å; Y413-F420 HydrophobicContact CE1-CB 3.38Å; Y413-F420 AromaticContact CE1-CD2 3.94Å; Y413-F420 HydrophobicContact CE1-CD2 3.94Å; Y413-F420 HydrophobicContact CE1-CG 4.03Å; Y413-F420 PolarHBondContact OH-O 3.49Å; Y413-I429 HydrophobicContact CE1-CD1 4.09Å
414T57.5Low70.4Confident117 Ų11774.7 Ų74.772%0.71839%0.394SS*.SBendtrans-82.7-24.5176.554.90000112.7
415C57.4Low70.3Confident98 Ų9871.8 Ų71.866%0.66238%0.383SS*.SBendtrans-143.9134.9178.1-81.20000111.2
416E69.2Low70.5Confident65 Ų6575.5 Ų75.530%0.30440%0.398SS..  trans4562177.1-65.2-173.4177.500115.2V204 W250 S418 R419V204-E416 HydrophobicContact CG2-CG 4.27Å; W250-E416 PolarHBondContact NE1-OE2 3.31Å; E416-S418 PolarHBondContact O-N 3.38Å; E416-R419 HydrophobicContact CB-CB 4.41Å; E416-R419 WeakPolarHBondContact O-CB 3.16Å; E416-R419 PolarHBondContact O-N 2.97Å; E416-R419 IonicContact OE2-CZ 3.45Å; E416-R419 IonicContact OE2-NE 2.88Å; E416-R419 PolarHBondContact OE2-NE 2.9Å; E416-R419 IonicContact OE2-NH2 3.17Å; E416-R419 PolarHBondContact OE2-NH2 3.49Å
417P68.1Low71.2Confident68 Ų6875.2 Ų75.244%0.44240%0.398SS..G310 helixtrans-50.8-36179.618.4-32.2000114Y413 R419 F420Y413-P417 HydrophobicContact CD2-CB 3.34Å; Y413-P417 HydrophobicContact CE2-CB 4.12Å; Y413-P417 HydrophobicContact CG-CB 3.75Å; P417-R419 PolarHBondContact O-N 2.86Å; P417-F420 PolarHBondContact O-N 3.08Å
418S73.1Confident72.5Confident23 Ų2365.7 Ų65.716%0.16136%0.362CS..G310 helixtrans-61-28.8-177.957.60000113.5E416 F420 L421E416-S418 PolarHBondContact O-N 3.38Å; S418-F420 PolarHBondContact O-N 2.89Å; S418-L421 PolarHBondContact O-N 3.05Å
419R85.9Confident74Confident5 Ų560.7 Ų60.72%0.01934%0.335CS..G310 helixtrans-60.9-35-177.7-177178-70.4-95.66.7112.7W250 R254 C338 E416 P417W250-R419 HydrophobicContact CG-CB 4.13Å; W250-R419 VanDerWaalsContact CZ2-NH1 3.35Å; R254-R419 PolarHBondContact NH2-O 3.32Å; C338-R419 PolarHBondContact O-NH1 3.19Å; E416-R419 HydrophobicContact CB-CB 4.41Å; E416-R419 WeakPolarHBondContact O-CB 3.16Å; E416-R419 PolarHBondContact O-N 2.97Å; E416-R419 IonicContact OE2-CZ 3.45Å; E416-R419 IonicContact OE2-NE 2.88Å; E416-R419 PolarHBondContact OE2-NE 2.9Å; E416-R419 IonicContact OE2-NH2 3.17Å; E416-R419 PolarHBondContact OE2-NH2 3.49Å; P417-R419 PolarHBondContact O-N 2.86Å
420F81.2Confident75.8Confident18 Ų1860.4 Ų60.48%0.07932%0.317CS..G310 helixtrans-106.310.9-170-58.5-71.5000113.9Y413 P417 S418 S422 V423 I429 R432Y413-F420 HydrophobicContact CD1-CB 4.12Å; Y413-F420 AromaticContact CD1-CD2 3.79Å; Y413-F420 HydrophobicContact CD1-CD2 3.79Å; Y413-F420 HydrophobicContact CD1-CG 4.35Å; Y413-F420 HydrophobicContact CE1-CB 3.38Å; Y413-F420 AromaticContact CE1-CD2 3.94Å; Y413-F420 HydrophobicContact CE1-CD2 3.94Å; Y413-F420 HydrophobicContact CE1-CG 4.03Å; Y413-F420 PolarHBondContact OH-O 3.49Å; P417-F420 PolarHBondContact O-N 3.08Å; S418-F420 PolarHBondContact O-N 2.89Å; F420-S422 VanDerWaalsContact C-N 3.25Å; F420-S422 PolarHBondContact O-N 3.27Å; F420-V423 VanDerWaalsContact CA-O 3.32Å; F420-V423 WeakPolarHBondContact CA-O 3.13Å; F420-I429 HydrophobicContact CB-CD1 4.25Å; F420-I429 HydrophobicContact CB-CG1 4.48Å; F420-I429 HydrophobicContact CD1-CD1 4.22Å; F420-I429 HydrophobicContact CD1-CG1 3.57Å; F420-I429 HydrophobicContact CD2-CG1 4.29Å; F420-I429 HydrophobicContact CE1-CG1 3.64Å; F420-I429 HydrophobicContact CE2-CG1 4.35Å; F420-I429 HydrophobicContact CG-CD1 4.17Å; F420-I429 HydrophobicContact CG-CG1 3.88Å; F420-I429 HydrophobicContact CZ-CG1 4.01Å; F420-R432 HydrophobicContact CZ-CB 4.45Å; F420-R432 VanDerWaalsContact CZ-CD 3.41Å; F420-R432 HydrophobicContact CZ-CG 4.5Å
421L73.9Confident77.8Confident99 Ų9954.6 Ų54.652%0.51828%0.282SS..SBendtrans-66.4-32.4175.1-70176.6000111.8S418S418-L421 PolarHBondContact O-N 3.05Å
422S77.8Confident79.7Confident13 Ų1352.3 Ų52.39%0.09127%0.268CS..SBendtrans-123.8-13.2-167.258.70000114.5R251 P252 R254 P405 F420R251-S422 PolarHBondContact O-OG 3.19Å; P252-S422 WeakPolarHBondContact O-CB 3.48Å; R254-S422 WeakPolarHBondContact CG-OG 3.24Å; P405-S422 WeakPolarHBondContact CG-O 3.46Å; F420-S422 VanDerWaalsContact C-N 3.25Å; F420-S422 PolarHBondContact O-N 3.27Å
423V87.1Confident81.5Confident0 Ų047.8 Ų47.80%025%0.247CC..SBendtrans-145.9135.7-176-179.20000108.9A256 P292 D340 L403 F420A256-V423 HydrophobicContact CB-CG1 3.65Å; A256-V423 HydrophobicContact CB-CG2 4Å; P292-V423 HydrophobicContact CB-CG2 4.13Å; P292-V423 HydrophobicContact CG-CG1 4.49Å; P292-V423 HydrophobicContact CG-CG2 4.18Å; D340-V423 HydrophobicContact CB-CG1 4.08Å; L403-V423 HydrophobicContact CD2-CG1 3.96Å; F420-V423 VanDerWaalsContact CA-O 3.32Å; F420-V423 WeakPolarHBondContact CA-O 3.13Å
424G88.2Confident83.2Confident1 Ų145.8 Ų45.81%0.0124%0.242CC..  trans110.8131.816700000114.9L402 L403 K404L402-G424 CarbonylContact O-C 3.28Å; L402-G424 WeakPolarHBondContact O-CA 3.48Å; L403-G424 PolarHBondContact O-N 3.46Å; K404-G424 CarbonylContact O-C 3.56Å; K404-G424 VanDerWaalsContact O-C 3.28Å
425S91.7Very high84.9Confident14 Ų1440.2 Ų40.210%0.09821%0.208CC..  trans-85.7172.817370.10000112.1D401 L402 K404 K427 L428 I429D401-S425 WeakPolarHBondContact O-CB 3.26Å; D401-S425 PolarHBondContact O-OG 3.29Å; L402-S425 WeakPolarHBondContact CA-OG 3.49Å; L402-S425 PolarHBondContact O-N 2.93Å; L402-S425 PolarHBondContact O-OG 3.44Å; K404-S425 VanDerWaalsContact O-CA 3.32Å; K404-S425 WeakPolarHBondContact O-CA 3.45Å; K404-S425 WeakPolarHBondContact O-CB 3.32Å; K404-S425 PolarHBondContact O-N 3.48Å; S425-K427 PolarHBondContact O-N 2.9Å; S425-K427 PolarHBondContact OG-N 2.97Å; S425-L428 PolarHBondContact O-N 3.4Å; S425-L428 VanDerWaalsContact O-N 3.16Å; S425-L428 PolarHBondContact OG-N 3.47Å; S425-I429 WeakPolarHBondContact O-CG1 3.44Å; S425-I429 PolarHBondContact O-N 3.45Å; S425-I429 VanDerWaalsContact O-N 3.08Å
426E89.4Confident86.7Confident111 Ų11137.1 Ų37.152%0.51919%0.189SC..Hα-helixtrans-52.7-39.4172.4-67.6176.6-15400112R406 I429 Y430R406-E426 HydrophobicContact CG-CG 4.03Å; R406-E426 IonicContact CZ-OE1 2.61Å; R406-E426 VanDerWaalsContact NE-CD 3.33Å; R406-E426 IonicContact NE-OE1 2.89Å; R406-E426 PolarHBondContact NE-OE1 2.99Å; R406-E426 IonicContact NH2-OE1 2.74Å; R406-E426 PolarHBondContact NH2-OE1 3.48Å; R406-E426 IonicContact NH2-OE2 3.97Å; E426-I429 PolarHBondContact O-N 3.06Å; E426-Y430 WeakPolarHBondContact O-CB 3.43Å; E426-Y430 PolarHBondContact O-N 3.23Å
427K93.1Very high87.8Confident66 Ų6638.6 Ų38.629%0.28720%0.196SC..Hα-helixtrans-68.9-40.3-179.1-169.6172.9-178.8178.70112L402 S425 Y430 F431L402-K427 HydrophobicContact CD2-CB 4.02Å; L402-K427 HydrophobicContact CD2-CD 4.05Å; L402-K427 HydrophobicContact CD2-CG 3.89Å; S425-K427 PolarHBondContact O-N 2.9Å; S425-K427 PolarHBondContact OG-N 2.97Å; K427-Y430 PolarHBondContact O-N 3.42Å; K427-F431 HydrophobicContact CD-CZ 4.15Å; K427-F431 VanDerWaalsContact CE-CZ 3.49Å; K427-F431 HydrophobicContact CG-CE1 4.03Å; K427-F431 HydrophobicContact CG-CE2 3.95Å; K427-F431 HydrophobicContact CG-CZ 3.66Å; K427-F431 VanDerWaalsContact O-CG 3.26Å; K427-F431 WeakPolarHBondContact O-CG 3.33Å; K427-F431 PolarHBondContact O-N 2.64Å
428L94.1Very high89.1Confident0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-64.8-41.9175.8-17469.4000111.6L341 P367 L402 L403 S425 F431 R432L341-L428 HydrophobicContact CD1-CD1 3.9Å; P367-L428 HydrophobicContact CB-CD1 3.99Å; P367-L428 HydrophobicContact CG-CD1 3.8Å; L402-L428 HydrophobicContact CB-CB 4.45Å; L402-L428 HydrophobicContact CB-CD1 4.37Å; L402-L428 HydrophobicContact CD2-CB 4.31Å; L402-L428 WeakPolarHBondContact O-CB 3.38Å; L403-L428 HydrophobicContact CD2-CD2 4.49Å; S425-L428 PolarHBondContact O-N 3.4Å; S425-L428 VanDerWaalsContact O-N 3.16Å; S425-L428 PolarHBondContact OG-N 3.47Å; L428-F431 PolarHBondContact O-N 2.55Å; L428-R432 PolarHBondContact O-N 3.46Å; L428-R432 VanDerWaalsContact O-N 3.13Å
429I91.3Very high90.1Very high14 Ų1437.1 Ų37.17%0.07218%0.18CC..Hα-helixtrans-62-48.9176-65.2164.4000109.8Y413 F420 S425 E426 F431 R432 E433Y413-I429 HydrophobicContact CE1-CD1 4.09Å; F420-I429 HydrophobicContact CB-CD1 4.25Å; F420-I429 HydrophobicContact CB-CG1 4.48Å; F420-I429 HydrophobicContact CD1-CD1 4.22Å; F420-I429 HydrophobicContact CD1-CG1 3.57Å; F420-I429 HydrophobicContact CD2-CG1 4.29Å; F420-I429 HydrophobicContact CE1-CG1 3.64Å; F420-I429 HydrophobicContact CE2-CG1 4.35Å; F420-I429 HydrophobicContact CG-CD1 4.17Å; F420-I429 HydrophobicContact CG-CG1 3.88Å; F420-I429 HydrophobicContact CZ-CG1 4.01Å; S425-I429 WeakPolarHBondContact O-CG1 3.44Å; S425-I429 PolarHBondContact O-N 3.45Å; S425-I429 VanDerWaalsContact O-N 3.08Å; E426-I429 PolarHBondContact O-N 3.06Å; I429-F431 VanDerWaalsContact C-N 3.29Å; I429-F431 PolarHBondContact O-N 3.4Å; I429-R432 WeakPolarHBondContact O-CB 3.3Å; I429-R432 PolarHBondContact O-N 2.9Å; I429-E433 HydrophobicContact CG2-CG 4.44Å; I429-E433 PolarHBondContact O-N 3.24Å
430Y92.6Very high90.4Very high110 Ų11044 Ų4443%0.43121%0.21SC..Hα-helixtrans-54.7-43.8176.9171.3-105000112.4N383 E426 K427 R432 E433 C434N383-Y430 WeakPolarHBondContact O-CE1 3.3Å; E426-Y430 WeakPolarHBondContact O-CB 3.43Å; E426-Y430 PolarHBondContact O-N 3.23Å; K427-Y430 PolarHBondContact O-N 3.42Å; Y430-R432 VanDerWaalsContact C-N 3.35Å; Y430-R432 PolarHBondContact O-N 2.94Å; Y430-E433 PolarHBondContact O-N 2.91Å; Y430-C434 VanDerWaalsContact CE2-SG 3.56Å; Y430-C434 PolarHBondContact O-N 3.01Å; Y430-C434 PolarHBondContact O-SG 3.19Å
431F95.1Very high90.9Very high2 Ų249 Ų491%0.00924%0.238CC..Hα-helixtrans-62.4-40.6176.1-65.2-20.1000112.8P367 N383 K384 L387 L402 K427 L428 I429 C434 L435P367-F431 HydrophobicContact CB-CB 3.77Å; P367-F431 HydrophobicContact CB-CD2 4.05Å; P367-F431 HydrophobicContact CB-CG 4.4Å; P367-F431 HydrophobicContact CG-CB 3.62Å; N383-F431 VanDerWaalsContact C-CE1 3.44Å; N383-F431 VanDerWaalsContact O-CE1 3.31Å; N383-F431 WeakPolarHBondContact O-CE1 3.33Å; K384-F431 WeakPolarHBondContact O-CA 3.31Å; K384-F431 WeakPolarHBondContact O-CD1 3.28Å; L387-F431 HydrophobicContact CD2-CE2 4.42Å; L387-F431 HydrophobicContact CD2-CZ 3.94Å; L387-F431 HydrophobicContact CG-CE2 4.01Å; L387-F431 HydrophobicContact CG-CZ 4.05Å; L402-F431 HydrophobicContact CD1-CE2 4.4Å; L402-F431 HydrophobicContact CD2-CD2 4.21Å; L402-F431 HydrophobicContact CD2-CE2 3.8Å; K427-F431 HydrophobicContact CD-CZ 4.15Å; K427-F431 VanDerWaalsContact CE-CZ 3.49Å; K427-F431 HydrophobicContact CG-CE1 4.03Å; K427-F431 HydrophobicContact CG-CE2 3.95Å; K427-F431 HydrophobicContact CG-CZ 3.66Å; K427-F431 VanDerWaalsContact O-CG 3.26Å; K427-F431 WeakPolarHBondContact O-CG 3.33Å; K427-F431 PolarHBondContact O-N 2.64Å; L428-F431 PolarHBondContact O-N 2.55Å; I429-F431 VanDerWaalsContact C-N 3.29Å; I429-F431 PolarHBondContact O-N 3.4Å; F431-C434 PolarHBondContact O-N 3.23Å; F431-L435 WeakPolarHBondContact O-CB 3.3Å; F431-L435 WeakPolarHBondContact O-CG 3.48Å; F431-L435 PolarHBondContact O-N 2.94Å
432R93.8Very high91.8Very high27 Ų2745.5 Ų45.510%0.10222%0.219CC..Hα-helixtrans-64.8-39.8176.5-78.9-177.3153.8-1053.6112.2A339 P367 F420 L428 I429 Y430 L435 A436A339-R432 PolarHBondContact O-NH2 2.81Å; P367-R432 HydrophobicContact CG-CG 3.54Å; F420-R432 HydrophobicContact CZ-CB 4.45Å; F420-R432 VanDerWaalsContact CZ-CD 3.41Å; F420-R432 HydrophobicContact CZ-CG 4.5Å; L428-R432 PolarHBondContact O-N 3.46Å; L428-R432 VanDerWaalsContact O-N 3.13Å; I429-R432 WeakPolarHBondContact O-CB 3.3Å; I429-R432 PolarHBondContact O-N 2.9Å; Y430-R432 VanDerWaalsContact C-N 3.35Å; Y430-R432 PolarHBondContact O-N 2.94Å; R432-L435 PolarHBondContact O-N 3.29Å; R432-A436 WeakPolarHBondContact O-CB 3.15Å; R432-A436 PolarHBondContact O-N 3.3Å
433E91.8Very high92.6Very high86 Ų8648.7 Ų48.740%0.40223%0.234SC..Hα-helixtrans-65-44.7175.6-69.2-179.6158.300111.6I429 Y430 L435 A436 E437I429-E433 HydrophobicContact CG2-CG 4.44Å; I429-E433 PolarHBondContact O-N 3.24Å; Y430-E433 PolarHBondContact O-N 2.91Å; E433-L435 VanDerWaalsContact C-N 3.29Å; E433-L435 PolarHBondContact O-N 2.89Å; E433-A436 PolarHBondContact O-N 3.09Å; E433-E437 PolarHBondContact O-N 3.21Å
434C94.1Very high92.9Very high25 Ų2550 Ų5017%0.16924%0.239CC..Hα-helixtrans-58.7-40.9173.9-71.30000112.1K384 Y385 Y430 F431 R438K384-C434 WeakPolarHBondContact O-CB 3.38Å; Y385-C434 HydrophobicContact CD1-CB 4.32Å; Y385-C434 HydrophobicContact CE1-CB 4.19Å; Y430-C434 VanDerWaalsContact CE2-SG 3.56Å; Y430-C434 PolarHBondContact O-N 3.01Å; Y430-C434 PolarHBondContact O-SG 3.19Å; F431-C434 PolarHBondContact O-N 3.23Å; C434-R438 WeakPolarHBondContact O-CB 3.42Å; C434-R438 PolarHBondContact O-N 3.02Å
435L94.9Very high92.9Very high0 Ų050.2 Ų50.20%024%0.241CC..Hα-helixtrans-68-41.5176.7-76.4170.5000112.7L362 N365 P367 Y385 F431 R432 E433 E437 R438 N439L362-L435 HydrophobicContact CB-CD2 3.97Å; L362-L435 HydrophobicContact CD1-CD2 4.49Å; L362-L435 HydrophobicContact CD2-CD1 4.16Å; L362-L435 HydrophobicContact CD2-CD2 3.81Å; L362-L435 HydrophobicContact CG-CD2 4.27Å; N365-L435 HydrophobicContact CB-CB 4.37Å; P367-L435 HydrophobicContact CB-CD1 4.5Å; P367-L435 HydrophobicContact CG-CD1 4.18Å; Y385-L435 HydrophobicContact CD1-CD2 3.48Å; Y385-L435 VanDerWaalsContact CD1-CD2 3.48Å; Y385-L435 HydrophobicContact CD1-CG 3.85Å; Y385-L435 HydrophobicContact CE1-CD2 4.24Å; Y385-L435 HydrophobicContact CG-CD2 3.77Å; Y385-L435 HydrophobicContact CG-CG 4.41Å; F431-L435 WeakPolarHBondContact O-CB 3.3Å; F431-L435 WeakPolarHBondContact O-CG 3.48Å; F431-L435 PolarHBondContact O-N 2.94Å; R432-L435 PolarHBondContact O-N 3.29Å; E433-L435 VanDerWaalsContact C-N 3.29Å; E433-L435 PolarHBondContact O-N 2.89Å; L435-E437 VanDerWaalsContact C-N 3.32Å; L435-E437 PolarHBondContact O-N 3.05Å; L435-R438 PolarHBondContact O-N 2.8Å; L435-N439 VanDerWaalsContact O-CB 3.26Å; L435-N439 WeakPolarHBondContact O-CB 3.34Å; L435-N439 VanDerWaalsContact O-CG 3.27Å; L435-N439 PolarHBondContact O-N 3.2Å
436A93.5Very high93Very high32 Ų3250.5 Ų50.526%0.26424%0.241SC..Hα-helixtrans-59.8-44.9175.500000111N365 R432 E433 N439 K440N365-A436 WeakPolarHBondContact ND2-CA 3.41Å; R432-A436 WeakPolarHBondContact O-CB 3.15Å; R432-A436 PolarHBondContact O-N 3.3Å; E433-A436 PolarHBondContact O-N 3.09Å; A436-N439 PolarHBondContact O-N 3.11Å; A436-K440 WeakPolarHBondContact O-CG 3.31Å; A436-K440 PolarHBondContact O-N 3.48Å; A436-K440 VanDerWaalsContact O-N 3.13Å
437E93.7Very high93.2Very high97 Ų9748.5 Ų48.545%0.45324%0.236SC..Hα-helixtrans-66.4-43.7178.1-169.853.6-144.100112.3E433 L435 N439 K440E433-E437 PolarHBondContact O-N 3.21Å; L435-E437 VanDerWaalsContact C-N 3.32Å; L435-E437 PolarHBondContact O-N 3.05Å; E437-N439 VanDerWaalsContact C-N 3.3Å; E437-N439 PolarHBondContact O-N 3.44Å; E437-K440 PolarHBondContact O-N 3.44Å; E437-K440 IonicContact OE2-NZ 2.77Å; E437-K440 PolarHBondContact OE2-NZ 2.86Å
438R94Very high93.4Very high43 Ų4346.6 Ų46.616%0.16223%0.227CC..Hα-helixtrans-55.6-46.7172.4175-171.1177.6-10213.3111.4Y385 C434 L435 K440 N441 L442Y385-R438 HydrophobicContact CE1-CB 4.27Å; C434-R438 WeakPolarHBondContact O-CB 3.42Å; C434-R438 PolarHBondContact O-N 3.02Å; L435-R438 PolarHBondContact O-N 2.8Å; R438-K440 PolarHBondContact O-N 2.94Å; R438-N441 PolarHBondContact O-N 3.26Å; R438-L442 WeakPolarHBondContact O-CB 3.49Å; R438-L442 PolarHBondContact O-N 2.97Å; R438-L442 VanDerWaalsContact O-N 3.08Å
439N94.3Very high93.5Very high16 Ų1646.6 Ų46.69%0.08623%0.227CC..Hα-helixtrans-76.6-19-171.5-75.2-13.4000114L362 G363 N365 L435 A436 E437 N441 L442L362-N439 PolarHBondContact O-ND2 2.91Å; G363-N439 PolarHBondContact O-ND2 2.72Å; N365-N439 PolarHBondContact OD1-ND2 2.81Å; L435-N439 VanDerWaalsContact O-CB 3.26Å; L435-N439 WeakPolarHBondContact O-CB 3.34Å; L435-N439 VanDerWaalsContact O-CG 3.27Å; L435-N439 PolarHBondContact O-N 3.2Å; A436-N439 PolarHBondContact O-N 3.11Å; E437-N439 VanDerWaalsContact C-N 3.3Å; E437-N439 PolarHBondContact O-N 3.44Å; N439-N441 VanDerWaalsContact C-N 3.28Å; N439-N441 PolarHBondContact O-N 2.92Å; N439-L442 WeakPolarHBondContact OD1-CD2 3.39Å
440K92.9Very high93.7Very high149 Ų14950.5 Ų50.565%0.64824%0.243SC*.Hα-helixtrans-60.9-38.3168.5-73.2172.9-166.7165.40112.1A436 E437 R438A436-K440 WeakPolarHBondContact O-CG 3.31Å; A436-K440 PolarHBondContact O-N 3.48Å; A436-K440 VanDerWaalsContact O-N 3.13Å; E437-K440 PolarHBondContact O-N 3.44Å; E437-K440 IonicContact OE2-NZ 2.77Å; E437-K440 PolarHBondContact OE2-NZ 2.86Å; R438-K440 PolarHBondContact O-N 2.94Å
441N91.7Very high93.8Very high125 Ų12550 Ų5067%0.66825%0.249SC*.Hα-helixtrans-104.7-0.6-174.2-60.3-53000113.3R438 N439 I443R438-N441 PolarHBondContact O-N 3.26Å; N439-N441 VanDerWaalsContact C-N 3.28Å; N439-N441 PolarHBondContact O-N 2.92Å; N441-I443 PolarHBondContact O-N 2.97Å
442L93.2Very high93.8Very high24 Ų2451.5 Ų51.513%0.12626%0.258CS..  trans-72.6119.4-176.4-177.968.6000111P195 R438 N439 R444P195-L442 HydrophobicContact CG-CD2 3.68Å; R438-L442 WeakPolarHBondContact O-CB 3.49Å; R438-L442 PolarHBondContact O-N 2.97Å; R438-L442 VanDerWaalsContact O-N 3.08Å; N439-L442 WeakPolarHBondContact OD1-CD2 3.39Å; L442-R444 HydrophobicContact CD2-CG 4.49Å; L442-R444 PolarHBondContact O-N 3.18Å
443I94.1Very high93.9Very high80 Ų8050.2 Ų50.241%0.4125%0.253SS..  trans-71.2115.5168.2-52.6178.9000108.8N441 T447N441-I443 PolarHBondContact O-N 2.97Å; I443-T447 HydrophobicContact CG2-CG2 3.61Å
444R93.3Very high94.1Very high29 Ų2946.4 Ų46.411%0.10924%0.235CC..  trans-90.4173.6-175.4-71.1177.8175.9-932.2113.3A196 E197 F199 G363 L442 F446 T447 Y448A196-R444 PolarHBondContact O-NH1 2.92Å; E197-R444 WeakPolarHBondContact OE1-CB 3.41Å; E197-R444 WeakPolarHBondContact OE2-CD 3.42Å; F199-R444 PolarHBondContact O-NH1 2.67Å; F199-R444 PolarHBondContact O-NH2 3.2Å; G363-R444 PolarHBondContact O-NH2 2.82Å; L442-R444 HydrophobicContact CD2-CG 4.49Å; L442-R444 PolarHBondContact O-N 3.18Å; R444-F446 PolarHBondContact O-N 2.89Å; R444-T447 PolarHBondContact O-N 2.73Å; R444-Y448 WeakPolarHBondContact O-CB 3.5Å; R444-Y448 PolarHBondContact O-N 2.99Å
445G88.6Confident94.2Very high4 Ų448.3 Ų48.34%0.04125%0.247CC..Hα-helixtrans-23.1-73.6-169.100000117.2P195 W449P195-G445 PolarHBondContact O-N 3.28Å; G445-W449 VanDerWaalsContact O-CB 3.29Å; G445-W449 WeakPolarHBondContact O-CB 3.38Å; G445-W449 PolarHBondContact O-N 3.11Å
446F93.3Very high94.2Very high21 Ų2149.1 Ų49.19%0.09225%0.252CS..Hα-helixtrans-67.6-46.8-171.5178.3-111.6000112.9F27 R30 R444 Y448 W449 K450F27-F446 HydrophobicContact CB-CD2 3.84Å; F27-F446 HydrophobicContact CB-CE2 4.26Å; F27-F446 HydrophobicContact CD1-CB 3.94Å; F27-F446 AromaticContact CD1-CD2 3.67Å; F27-F446 HydrophobicContact CD1-CD2 3.67Å; F27-F446 HydrophobicContact CD1-CG 4.28Å; F27-F446 HydrophobicContact CE1-CB 3.89Å; F27-F446 HydrophobicContact CE1-CD2 4.48Å; F27-F446 AromaticContact CG-CD2 3.89Å; F27-F446 HydrophobicContact CG-CD2 3.89Å; F27-F446 HydrophobicContact CZ-CB 4.49Å; F27-F446 WeakPolarHBondContact O-CE2 3.33Å; R30-F446 HydrophobicContact CB-CD2 4.35Å; R30-F446 HydrophobicContact CB-CE2 3.83Å; R30-F446 HydrophobicContact CB-CZ 4.23Å; R30-F446 HydrophobicContact CG-CD2 4.23Å; R30-F446 HydrophobicContact CG-CE1 4.19Å; R30-F446 HydrophobicContact CG-CE2 3.75Å; R30-F446 HydrophobicContact CG-CZ 3.72Å; R30-F446 VanDerWaalsContact CZ-CD1 3.44Å; R444-F446 PolarHBondContact O-N 2.89Å; F446-Y448 VanDerWaalsContact C-N 3.34Å; F446-Y448 PolarHBondContact O-N 3.41Å; F446-W449 HydrophobicContact CD2-CE3 4.17Å; F446-W449 HydrophobicContact CE2-CE3 4.09Å; F446-W449 HydrophobicContact CE2-CZ3 4Å; F446-W449 PolarHBondContact O-N 3.2Å; F446-K450 HydrophobicContact CE1-CD 4.45Å; F446-K450 HydrophobicContact CZ-CD 4.49Å; F446-K450 WeakPolarHBondContact O-CB 3.48Å; F446-K450 PolarHBondContact O-N 2.9Å
447T94.9Very high94.3Very high68 Ų6847.6 Ų47.642%0.41724%0.24SC..Hα-helixtrans-64.8-40.3-179-540000111I443 R444 K450 N451I443-T447 HydrophobicContact CG2-CG2 3.61Å; R444-T447 PolarHBondContact O-N 2.73Å; T447-K450 PolarHBondContact O-N 3.34Å; T447-N451 VanDerWaalsContact O-CG 3.26Å; T447-N451 PolarHBondContact O-N 2.88Å; T447-N451 VanDerWaalsContact O-N 3.11Å; T447-N451 PolarHBondContact O-ND2 2.8Å
448Y95.8Very high94.3Very high26 Ų2645.3 Ų45.310%0.10223%0.229CC..Hα-helixtrans-66.4-44.3176.7178-107.6000111.8Y191 Y192 R194 R444 F446 K450 N451 T452Y191-Y448 HydrophobicContact CD2-CD1 4.1Å; Y191-Y448 AromaticContact CD2-CE1 3.62Å; Y191-Y448 HydrophobicContact CD2-CE1 3.62Å; Y191-Y448 AromaticContact CE2-CD1 3.81Å; Y191-Y448 HydrophobicContact CE2-CD1 3.81Å; Y191-Y448 AromaticContact CE2-CE1 3.8Å; Y191-Y448 HydrophobicContact CE2-CE1 3.8Å; Y192-Y448 WeakPolarHBondContact CD2-OH 3.49Å; Y192-Y448 PolarHBondContact N-OH 2.8Å; Y192-Y448 VanDerWaalsContact O-CE1 3.31Å; Y192-Y448 WeakPolarHBondContact O-CE1 3.45Å; R194-Y448 HydrophobicContact CB-CD1 4.29Å; R194-Y448 HydrophobicContact CG-CD1 3.25Å; R194-Y448 HydrophobicContact CG-CD2 4.4Å; R194-Y448 HydrophobicContact CG-CE1 3.83Å; R194-Y448 HydrophobicContact CG-CG 3.59Å; R444-Y448 WeakPolarHBondContact O-CB 3.5Å; R444-Y448 PolarHBondContact O-N 2.99Å; F446-Y448 VanDerWaalsContact C-N 3.34Å; F446-Y448 PolarHBondContact O-N 3.41Å; Y448-K450 VanDerWaalsContact C-N 3.34Å; Y448-K450 PolarHBondContact O-N 3.03Å; Y448-N451 PolarHBondContact O-N 3.37Å; Y448-T452 VanDerWaalsContact CE2-OG1 3.31Å; Y448-T452 WeakPolarHBondContact CE2-OG1 3.34Å; Y448-T452 WeakPolarHBondContact O-CB 3.37Å; Y448-T452 PolarHBondContact O-N 3.06Å; Y448-T452 PolarHBondContact O-OG1 3.22Å
449W96Very high94.1Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-58.5-45.6174.3172.987.9000111.5F27 L28 D31 Y191 G445 F446 N451 T452 A453 L454 Y457F27-W449 HydrophobicContact CB-CD2 3.59Å; F27-W449 HydrophobicContact CB-CE3 3.6Å; F27-W449 HydrophobicContact CB-CG 4.1Å; F27-W449 HydrophobicContact CB-CH2 4.23Å; F27-W449 HydrophobicContact CB-CZ2 4.26Å; F27-W449 HydrophobicContact CB-CZ3 3.92Å; F27-W449 HydrophobicContact CD2-CB 3.65Å; F27-W449 AromaticContact CD2-CD1 3.95Å; F27-W449 HydrophobicContact CD2-CD2 4.04Å; F27-W449 AromaticContact CD2-CG 3.58Å; F27-W449 HydrophobicContact CD2-CG 3.58Å; F27-W449 HydrophobicContact CE2-CB 4.09Å; F27-W449 HydrophobicContact CE2-CG 4.44Å; F27-W449 HydrophobicContact CG-CB 4.44Å; F27-W449 HydrophobicContact CG-CD2 4.22Å; F27-W449 HydrophobicContact CG-CE3 4.38Å; F27-W449 HydrophobicContact CG-CG 4.23Å; L28-W449 HydrophobicContact CD2-CH2 4.04Å; L28-W449 HydrophobicContact CD2-CZ2 3.88Å; L28-W449 HydrophobicContact CG-CH2 4.13Å; L28-W449 HydrophobicContact CG-CZ2 3.78Å; D31-W449 HydrophobicContact CB-CH2 4.24Å; D31-W449 HydrophobicContact CB-CZ3 4.06Å; Y191-W449 HydrophobicContact CE2-CB 4.1Å; Y191-W449 AromaticContact CZ-CD1 3.62Å; G445-W449 VanDerWaalsContact O-CB 3.29Å; G445-W449 WeakPolarHBondContact O-CB 3.38Å; G445-W449 PolarHBondContact O-N 3.11Å; F446-W449 HydrophobicContact CD2-CE3 4.17Å; F446-W449 HydrophobicContact CE2-CE3 4.09Å; F446-W449 HydrophobicContact CE2-CZ3 4Å; F446-W449 PolarHBondContact O-N 3.2Å; W449-N451 VanDerWaalsContact C-N 3.27Å; W449-N451 PolarHBondContact O-N 3.35Å; W449-T452 PolarHBondContact O-N 3.41Å; W449-A453 VanDerWaalsContact CD1-CB 3.42Å; W449-A453 HydrophobicContact CG-CB 4.14Å; W449-A453 PolarHBondContact O-N 2.76Å; W449-L454 HydrophobicContact CE3-CB 4.31Å; W449-L454 HydrophobicContact CH2-CB 3.96Å; W449-L454 HydrophobicContact CH2-CD1 3.71Å; W449-L454 HydrophobicContact CH2-CD2 4.48Å; W449-L454 HydrophobicContact CH2-CG 4.25Å; W449-L454 HydrophobicContact CZ2-CB 4.2Å; W449-L454 HydrophobicContact CZ2-CD1 4.26Å; W449-L454 HydrophobicContact CZ3-CB 4.01Å; W449-L454 HydrophobicContact CZ3-CD1 4.3Å; W449-L454 HydrophobicContact CZ3-CD2 4.25Å; W449-L454 HydrophobicContact CZ3-CG 4.41Å; W449-L454 PolarHBondContact O-N 3.09Å; W449-Y457 AromaticContact CZ2-CD2 3.93Å; W449-Y457 HydrophobicContact CZ2-CD2 3.93Å; W449-Y457 AromaticContact CZ2-CE2 3.91Å; W449-Y457 HydrophobicContact CZ2-CE2 3.91Å; W449-Y457 AromaticContact NE1-CE2 3.63Å; W449-Y457 AromaticContact NE1-CZ 3.95Å
450K95.8Very high93.9Very high96 Ų9650 Ų5042%0.41725%0.251SS..Hα-helixtrans-59.8-36.9178.9-173.7171.2-176.5165.90112.4D31 F446 T447 Y448 L454 P455D31-K450 IonicContact OD1-NZ 3.47Å; F446-K450 HydrophobicContact CE1-CD 4.45Å; F446-K450 HydrophobicContact CZ-CD 4.49Å; F446-K450 WeakPolarHBondContact O-CB 3.48Å; F446-K450 PolarHBondContact O-N 2.9Å; T447-K450 PolarHBondContact O-N 3.34Å; Y448-K450 VanDerWaalsContact C-N 3.34Å; Y448-K450 PolarHBondContact O-N 3.03Å; K450-L454 HydrophobicContact CG-CD2 3.91Å; K450-P455 WeakPolarHBondContact O-CD 3.16Å
451N95.9Very high93.6Very high101 Ų10143.1 Ų43.154%0.5422%0.221SC..Hα-helixtrans-82.1-21.2-179.8-66.1-12.3000113.6T447 Y448 W449T447-N451 VanDerWaalsContact O-CG 3.26Å; T447-N451 PolarHBondContact O-N 2.88Å; T447-N451 VanDerWaalsContact O-N 3.11Å; T447-N451 PolarHBondContact O-ND2 2.8Å; Y448-N451 PolarHBondContact O-N 3.37Å; W449-N451 VanDerWaalsContact C-N 3.27Å; W449-N451 PolarHBondContact O-N 3.35Å
452T95.3Very high92.9Very high33 Ų3342.7 Ų42.720%0.20222%0.215CC..Hα-helixtrans-118.1-53.1-167.7-46.50000113V190 Y448 W449V190-T452 WeakPolarHBondContact O-CG2 3.39Å; Y448-T452 VanDerWaalsContact CE2-OG1 3.31Å; Y448-T452 WeakPolarHBondContact CE2-OG1 3.34Å; Y448-T452 WeakPolarHBondContact O-CB 3.37Å; Y448-T452 PolarHBondContact O-N 3.06Å; Y448-T452 PolarHBondContact O-OG1 3.22Å; W449-T452 PolarHBondContact O-N 3.41Å
453A96Very high91.3Very high0 Ų044.5 Ų44.50%023%0.227CC..THydrogen-bonded Turntrans-91.4-41-173.200000112.3Y191 W449 P455 V456 Y457Y191-A453 HydrophobicContact CD1-CB 4Å; Y191-A453 HydrophobicContact CD2-CB 3.98Å; Y191-A453 HydrophobicContact CE1-CB 4.27Å; Y191-A453 HydrophobicContact CE2-CB 4.24Å; Y191-A453 HydrophobicContact CG-CB 3.89Å; W449-A453 VanDerWaalsContact CD1-CB 3.42Å; W449-A453 HydrophobicContact CG-CB 4.14Å; W449-A453 PolarHBondContact O-N 2.76Å; A453-P455 VanDerWaalsContact C-CD 3.49Å; A453-P455 VanDerWaalsContact C-N 3.35Å; A453-V456 VanDerWaalsContact O-CB 3.31Å; A453-V456 WeakPolarHBondContact O-CB 3.47Å; A453-V456 PolarHBondContact O-N 2.96Å; A453-Y457 HydrophobicContact CB-CE1 4.13Å; A453-Y457 WeakPolarHBondContact O-CD1 3.36Å; A453-Y457 WeakPolarHBondContact O-CE1 3.45Å; A453-Y457 PolarHBondContact O-N 3.43Å
454L95.9Very high89.2Confident6 Ų644.3 Ų44.33%0.03123%0.227CC..Hα-helixtrans-53.8-42.8179.3176.765.2000113.3W33 W449 K450 V456 Y457 E458W33-L454 HydrophobicContact CZ2-CD1 4.27Å; W449-L454 HydrophobicContact CE3-CB 4.31Å; W449-L454 HydrophobicContact CH2-CB 3.96Å; W449-L454 HydrophobicContact CH2-CD1 3.71Å; W449-L454 HydrophobicContact CH2-CD2 4.48Å; W449-L454 HydrophobicContact CH2-CG 4.25Å; W449-L454 HydrophobicContact CZ2-CB 4.2Å; W449-L454 HydrophobicContact CZ2-CD1 4.26Å; W449-L454 HydrophobicContact CZ3-CB 4.01Å; W449-L454 HydrophobicContact CZ3-CD1 4.3Å; W449-L454 HydrophobicContact CZ3-CD2 4.25Å; W449-L454 HydrophobicContact CZ3-CG 4.41Å; W449-L454 PolarHBondContact O-N 3.09Å; K450-L454 HydrophobicContact CG-CD2 3.91Å; L454-V456 PolarHBondContact O-N 3.31Å; L454-Y457 WeakPolarHBondContact O-CB 3.48Å; L454-Y457 PolarHBondContact O-N 3.09Å; L454-E458 HydrophobicContact CD1-CG 3.89Å; L454-E458 HydrophobicContact CG-CG 4.14Å; L454-E458 PolarHBondContact O-N 3.41Å
455P95.6Very high86.5Confident64 Ų6448 Ų4842%0.41626%0.255SS..Hα-helixtrans-58.9-32176.4-26.736.2000113.7K450 A453 Y457 K459K450-P455 WeakPolarHBondContact O-CD 3.16Å; A453-P455 VanDerWaalsContact C-CD 3.49Å; A453-P455 VanDerWaalsContact C-N 3.35Å; P455-Y457 VanDerWaalsContact C-N 3.34Å; P455-K459 VanDerWaalsContact O-CB 3.24Å; P455-K459 WeakPolarHBondContact O-CB 3.46Å; P455-K459 PolarHBondContact O-N 2.98Å
456V95.1Very high83.9Confident18 Ų1852.7 Ų52.711%0.10929%0.286CS..Hα-helixtrans-67.4-39.1174.8-177.50000110.3A169 V171 T189 A453 L454 A460A169-V456 HydrophobicContact CB-CG1 3.66Å; V171-V456 HydrophobicContact CG1-CB 4.24Å; V171-V456 HydrophobicContact CG1-CG1 3.97Å; V171-V456 HydrophobicContact CG1-CG2 4.19Å; T189-V456 HydrophobicContact CG2-CG2 3.96Å; A453-V456 VanDerWaalsContact O-CB 3.31Å; A453-V456 WeakPolarHBondContact O-CB 3.47Å; A453-V456 PolarHBondContact O-N 2.96Å; L454-V456 PolarHBondContact O-N 3.31Å; V456-A460 WeakPolarHBondContact O-CB 3.49Å; V456-A460 PolarHBondContact O-N 3.05Å; V456-A460 VanDerWaalsContact O-N 3.09Å
457Y94.8Very high81.2Confident0 Ų061.4 Ų61.40%032%0.324CS..Hα-helixtrans-75-40.2-175.2-61.110000110.1Q24 L28 L97 V124 V171 W449 A453 L454 P455 A460 I461Q24-Y457 PolarHBondContact OE1-OH 2.93Å; L28-Y457 HydrophobicContact CD1-CD2 4.42Å; L28-Y457 HydrophobicContact CD1-CE2 4.38Å; L28-Y457 HydrophobicContact CD2-CD2 3.95Å; L28-Y457 HydrophobicContact CG-CD2 4.36Å; L28-Y457 HydrophobicContact CG-CE2 4.5Å; L97-Y457 HydrophobicContact CD2-CG 4.29Å; V124-Y457 HydrophobicContact CB-CD1 4.43Å; V124-Y457 HydrophobicContact CB-CE1 4.48Å; V124-Y457 HydrophobicContact CG1-CD1 3.98Å; V124-Y457 HydrophobicContact CG1-CE1 3.64Å; V124-Y457 HydrophobicContact CG2-CD1 3.91Å; V124-Y457 HydrophobicContact CG2-CE1 4.41Å; V171-Y457 HydrophobicContact CG1-CE1 4.28Å; W449-Y457 AromaticContact CZ2-CD2 3.93Å; W449-Y457 HydrophobicContact CZ2-CD2 3.93Å; W449-Y457 AromaticContact CZ2-CE2 3.91Å; W449-Y457 HydrophobicContact CZ2-CE2 3.91Å; W449-Y457 AromaticContact NE1-CE2 3.63Å; W449-Y457 AromaticContact NE1-CZ 3.95Å; A453-Y457 HydrophobicContact CB-CE1 4.13Å; A453-Y457 WeakPolarHBondContact O-CD1 3.36Å; A453-Y457 WeakPolarHBondContact O-CE1 3.45Å; A453-Y457 PolarHBondContact O-N 3.43Å; L454-Y457 WeakPolarHBondContact O-CB 3.48Å; L454-Y457 PolarHBondContact O-N 3.09Å; P455-Y457 VanDerWaalsContact C-N 3.34Å; Y457-A460 PolarHBondContact O-N 2.65Å; Y457-I461 PolarHBondContact O-N 2.93Å
458E93.3Very high78.3Confident48 Ų4866.4 Ų66.422%0.22435%0.348CS..Hα-helixtrans-64.8-45.4173-70.3-177.5151.300111.5R5 W33 L454 A460 I461 H462R5-E458 IonicContact CZ-OE1 3.7Å; R5-E458 VanDerWaalsContact CZ-OE1 3.26Å; R5-E458 IonicContact NH1-OE1 3.04Å; R5-E458 PolarHBondContact NH1-OE1 3.26Å; R5-E458 IonicContact NH2-OE1 2.69Å; R5-E458 PolarHBondContact NH2-OE1 3.34Å; W33-E458 HydrophobicContact CZ2-CG 4.32Å; L454-E458 HydrophobicContact CD1-CG 3.89Å; L454-E458 HydrophobicContact CG-CG 4.14Å; L454-E458 PolarHBondContact O-N 3.41Å; E458-A460 VanDerWaalsContact C-N 3.26Å; E458-A460 PolarHBondContact O-N 3.47Å; E458-I461 WeakPolarHBondContact O-CG1 3.04Å; E458-I461 PolarHBondContact O-N 2.69Å; E458-I461 VanDerWaalsContact O-N 3.12Å; E458-H462 PolarHBondContact O-CD2 3.2Å; E458-H462 PolarHBondContact O-N 3.1Å
459K91.1Very high75.4Confident150 Ų15073.2 Ų73.265%0.65238%0.378SS*.Hα-helixtrans-58.2-41.5176.5-175.1178.2178.6-177.70111.6P455 I461 H462 T463P455-K459 VanDerWaalsContact O-CB 3.24Å; P455-K459 WeakPolarHBondContact O-CB 3.46Å; P455-K459 PolarHBondContact O-N 2.98Å; K459-I461 VanDerWaalsContact C-N 3.27Å; K459-I461 PolarHBondContact O-N 3.33Å; K459-H462 PolarHBondContact O-N 3.12Å; K459-T463 PolarHBondContact O-N 3.37Å; K459-T463 PolarHBondContact O-OG1 3.1Å; K459-T463 VanDerWaalsContact O-OG1 3.1Å
460A89.6Confident72.5Confident7 Ų780.3 Ų80.36%0.05842%0.416CS..Hα-helixtrans-61.9-31.817900000113L97 N122 V124 V456 Y457 E458 T463L97-A460 HydrophobicContact CD1-CB 4.05Å; N122-A460 HydrophobicContact CB-CB 4.35Å; N122-A460 WeakPolarHBondContact CB-O 3.24Å; N122-A460 PolarHBondContact ND2-O 2.93Å; N122-A460 PolarHBondContact OD1-O 3.42Å; V124-A460 HydrophobicContact CG2-CB 4.26Å; V456-A460 WeakPolarHBondContact O-CB 3.49Å; V456-A460 PolarHBondContact O-N 3.05Å; V456-A460 VanDerWaalsContact O-N 3.09Å; Y457-A460 PolarHBondContact O-N 2.65Å; E458-A460 VanDerWaalsContact C-N 3.26Å; E458-A460 PolarHBondContact O-N 3.47Å; A460-T463 PolarHBondContact O-OG1 2.92Å
461I87.5Confident69.7Low5 Ų587.4 Ų87.43%0.02646%0.458CS..Hα-helixtrans-84.3-28.8176.461.6165.5000113.2R5 W33 L97 Y457 E458 K459R5-I461 HydrophobicContact CG-CD1 4.37Å; W33-I461 HydrophobicContact CH2-CD1 3.77Å; W33-I461 HydrophobicContact CH2-CG1 4.38Å; W33-I461 HydrophobicContact CH2-CG2 4.15Å; W33-I461 HydrophobicContact CZ2-CD1 4.27Å; W33-I461 HydrophobicContact CZ3-CG2 4.39Å; L97-I461 HydrophobicContact CB-CG2 3.96Å; L97-I461 HydrophobicContact CD1-CG2 4.47Å; Y457-I461 PolarHBondContact O-N 2.93Å; E458-I461 WeakPolarHBondContact O-CG1 3.04Å; E458-I461 PolarHBondContact O-N 2.69Å; E458-I461 VanDerWaalsContact O-N 3.12Å; K459-I461 VanDerWaalsContact C-N 3.27Å; K459-I461 PolarHBondContact O-N 3.33Å
462H75.6Confident68.4Low116 Ų11686.8 Ų86.854%0.53745%0.454SS..Hα-helixtrans-88.3-12.9-173.5-75.2-60000115.1E458 K459 N464 P465E458-H462 PolarHBondContact O-CD2 3.2Å; E458-H462 PolarHBondContact O-N 3.1Å; K459-H462 PolarHBondContact O-N 3.12Å; H462-N464 PolarHBondContact O-N 3.04Å; H462-P465 WeakPolarHBondContact O-CD 3.38Å
463T60.3Low67Low62 Ų6289.6 Ų89.638%0.3847%0.468SS..THydrogen-bonded Turntrans-65.25175.327.60000114.9D166 K459 A460 P465D166-T463 WeakPolarHBondContact O-CB 3.36Å; D166-T463 PolarHBondContact O-OG1 3.14Å; K459-T463 PolarHBondContact O-N 3.37Å; K459-T463 PolarHBondContact O-OG1 3.1Å; K459-T463 VanDerWaalsContact O-OG1 3.1Å; A460-T463 PolarHBondContact O-OG1 2.92Å; T463-P465 VanDerWaalsContact C-CD 3.5Å
464N49.2Very low65.4Low77 Ų7794.6 Ų94.641%0.41249%0.494SS..  trans-115.372.5174.3-90.1-45.3000114.6H462H462-N464 PolarHBondContact O-N 3.04Å
465P37.3Very low63.6Low106 Ų10699.8 Ų99.869%0.68852%0.521SS*.  trans-120.452.9158.536.4-19.2000110.4H462 T463H462-P465 WeakPolarHBondContact O-CD 3.38Å; T463-P465 VanDerWaalsContact C-CD 3.5Å
466C33.1Very low61.6Low103 Ų103102 Ų10270%0.69653%0.527SS*.  trans-165.485.3170-105.40000113.8
467K37.2Very low59.4Low204 Ų204107.6 Ų107.689%0.88756%0.555SS**  trans-157.549.1141.9-97.2-166.8-173.1-1740109.3
468N33.1Very low56.9Low173 Ų173115.3 Ų115.393%0.92560%0.595SS**  trans-112.279.5148.8-94-0.4000105.2
469K36Very low54.1Low169 Ų169120.5 Ų120.574%0.73562%0.623SS**  trans-128.9113.3163.8-82.9-170.9174.1-175.30105.1
470D35.5Very low51Low148 Ų148118 Ų11879%0.79162%0.621SS**  trans61.191.5153.3-46.2-33.1000117.5
471N37.1Very low47.5Very low246 Ų246128.1 Ų128.1100%1.31667%0.672SS**  -153.10126.6-98.6-8.8000109.5

Retrieved 471 of 471 residues in 186.3 ms (Link to these results)

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