A0A093H7I6_STRCA Loading...

Eukaryotic peptide chain release factor subunit 1

AlphaFold DB , UniProt , Accession A0A093H7I6, Species STRCA (Struthio camelus australis), Gene n/a, Length 408 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
1N46.7Very low83.7Confident228 Ų22833.5 Ų33.5100%1.21920%0.197SC*.  055.40-63.7-3.8000112.5
2G62.3Low84Confident24 Ų2432.9 Ų32.925%0.24720%0.195CC..  trans-144.4145.9174.200000109.7S4G2-S4 PolarHBondContact O-N 3.05Å; G2-S4 VanDerWaalsContact O-N 3.14Å
3T75.4Confident84.3Confident59 Ų5946.3 Ų46.336%0.36225%0.249SC..  trans-8662.7176.453.20000109N38 V42 D99T3-N38 PolarHBondContact N-OD1 2.95Å; T3-N38 PolarHBondContact OG1-ND2 3.22Å; T3-V42 VanDerWaalsContact O-CG2 3.31Å; T3-V42 WeakPolarHBondContact O-CG2 3.4Å; T3-D99 CarbonylContact C-O 3.57Å; T3-D99 WeakPolarHBondContact CA-O 3.47Å
4S81.4Confident84.9Confident12 Ų1245 Ų458%0.08424%0.242CC..  trans-111.57.5-170.758.90000114G2 G69 T70 D99G2-S4 PolarHBondContact O-N 3.05Å; G2-S4 VanDerWaalsContact O-N 3.14Å; S4-G69 WeakPolarHBondContact O-CA 3.15Å; S4-T70 PolarHBondContact OG-OG1 3.46Å; S4-D99 PolarHBondContact N-O 2.9Å
5M90.2Very high85.4Confident18 Ų1850.7 Ų50.79%0.08927%0.267CS..EExtended strand (participates in β ladder)trans-98.7117.8177.6-53.5-57.6-17500109.5T70 I71 C98 D99 F102M5-T70 WeakPolarHBondContact CE-O 3.45Å; M5-I71 HydrophobicContact CE-CB 4.31Å; M5-I71 HydrophobicContact CE-CG2 3.6Å; M5-I71 HydrophobicContact SD-CG2 4.16Å; M5-C98 CarbonylContact O-C 3.57Å; M5-C98 VanDerWaalsContact O-CA 3.27Å; M5-C98 WeakPolarHBondContact O-CA 3.27Å; M5-D99 VanDerWaalsContact CB-O 3.27Å; M5-D99 WeakPolarHBondContact CB-O 3.3Å; M5-D99 PolarHBondContact N-O 3.15Å; M5-D99 PolarHBondContact O-N 2.7Å; M5-F102 HydrophobicContact CB-CD1 3.92Å; M5-F102 HydrophobicContact CB-CE1 3.76Å; M5-F102 HydrophobicContact CB-CZ 4.26Å; M5-F102 HydrophobicContact CG-CE1 4.39Å; M5-F102 HydrophobicContact CG-CZ 4.41Å; M5-F102 HydrophobicContact SD-CE1 4.18Å; M5-F102 HydrophobicContact SD-CE2 4.11Å; M5-F102 HydrophobicContact SD-CZ 3.71Å
6I93.7Very high85.9Confident1 Ų148.8 Ų48.81%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-96.1123.7176.5-54.2-176.9000108.6L8 A45 I46 V49 Y67 C68 Y96 L97I6-L8 HydrophobicContact CG2-CB 4.41Å; I6-A45 HydrophobicContact CD1-CB 3.58Å; I6-A45 HydrophobicContact CG1-CB 3.95Å; I6-I46 HydrophobicContact CD1-CB 4.31Å; I6-I46 HydrophobicContact CD1-CG1 3.56Å; I6-V49 HydrophobicContact CD1-CG2 4.33Å; I6-V49 HydrophobicContact CG2-CG2 4.43Å; I6-Y67 WeakPolarHBondContact O-CA 3.49Å; I6-C68 PolarHBondContact N-O 3.21Å; I6-C68 PolarHBondContact O-N 3.37Å; I6-Y96 HydrophobicContact CG2-CD2 4.26Å; I6-Y96 HydrophobicContact CG2-CE2 3.89Å; I6-L97 WeakPolarHBondContact CA-O 3.18Å
7S94.9Very high86.3Confident0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-110.3110.1168.3-56.10000108.2Y96 L97 H103S7-Y96 WeakPolarHBondContact O-CA 3.31Å; S7-L97 PolarHBondContact N-O 2.93Å; S7-L97 PolarHBondContact O-N 2.87Å; S7-H103 PolarHBondContact OG-N 3.28Å
8L94.9Very high86.7Confident3 Ų356.8 Ų56.82%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-120.6123.9-178.9176.568.3000109.9I6 I10 V19 L23 V49 L53 V66 L95 Y96I6-L8 HydrophobicContact CG2-CB 4.41Å; L8-I10 HydrophobicContact CD1-CG1 4.27Å; L8-I10 HydrophobicContact CD2-CD1 4.16Å; L8-I10 HydrophobicContact CD2-CG1 4.41Å; L8-I10 HydrophobicContact CG-CD1 4.37Å; L8-I10 HydrophobicContact CG-CG1 4.08Å; L8-V19 HydrophobicContact CD1-CG1 4.13Å; L8-V19 HydrophobicContact CD2-CG1 3.97Å; L8-L23 HydrophobicContact CD2-CD1 4.34Å; L8-V49 HydrophobicContact CD2-CG1 3.69Å; L8-L53 HydrophobicContact CD2-CD1 4.3Å; L8-V66 HydrophobicContact CB-CB 4.29Å; L8-V66 HydrophobicContact CD2-CB 4.45Å; L8-V66 PolarHBondContact N-O 3.42Å; L8-V66 PolarHBondContact O-N 2.95Å; L8-L95 CarbonylContact C-O 3.6Å; L8-L95 WeakPolarHBondContact CA-O 3.12Å; L8-Y96 HydrophobicContact CD1-CD2 4.06Å
9I94.8Very high87.1Confident2 Ų253.9 Ų53.91%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-126.3122.6179.2-58.9-176.2000107.7V65 I91 T93 S94 L95 A106I9-V65 HydrophobicContact CG1-CG1 4.3Å; I9-V65 HydrophobicContact CG1-CG2 4.36Å; I9-V65 HydrophobicContact CG2-CG2 4.35Å; I9-I91 HydrophobicContact CG2-CD1 3.24Å; I9-T93 WeakPolarHBondContact CG2-O 3.43Å; I9-S94 WeakPolarHBondContact O-CA 3.46Å; I9-L95 HydrophobicContact CB-CB 3.81Å; I9-L95 HydrophobicContact CD1-CB 4.02Å; I9-L95 HydrophobicContact CD1-CD2 3.85Å; I9-L95 HydrophobicContact CG1-CB 3.99Å; I9-L95 HydrophobicContact CG1-CD2 4.33Å; I9-L95 PolarHBondContact N-O 3.28Å; I9-L95 PolarHBondContact O-N 3.38Å; I9-A106 HydrophobicContact CD1-CB 3.59Å
10I94.4Very high87.5Confident2 Ų253.2 Ų53.21%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-116.8119.9-176-51.2171.7000108.8L8 D14 V19 L53 V59 G63 L64L8-I10 HydrophobicContact CD1-CG1 4.27Å; L8-I10 HydrophobicContact CD2-CD1 4.16Å; L8-I10 HydrophobicContact CD2-CG1 4.41Å; L8-I10 HydrophobicContact CG-CD1 4.37Å; L8-I10 HydrophobicContact CG-CG1 4.08Å; I10-D14 HydrophobicContact CG2-CB 4Å; I10-V19 HydrophobicContact CD1-CB 4.29Å; I10-V19 HydrophobicContact CD1-CG1 3.85Å; I10-V19 HydrophobicContact CD1-CG2 4.05Å; I10-V19 HydrophobicContact CG1-CG1 4.31Å; I10-V19 HydrophobicContact CG1-CG2 4.2Å; I10-V19 HydrophobicContact CG2-CG2 4.07Å; I10-L53 HydrophobicContact CD1-CD2 3.82Å; I10-V59 HydrophobicContact CG2-CG1 4.06Å; I10-V59 HydrophobicContact CG2-CG2 3.73Å; I10-G63 CarbonylContact O-C 3.55Å; I10-G63 VanDerWaalsContact O-CA 3.23Å; I10-G63 WeakPolarHBondContact O-CA 3.48Å; I10-L64 HydrophobicContact CB-CB 4.34Å; I10-L64 HydrophobicContact CD1-CB 4.39Å; I10-L64 HydrophobicContact CD1-CD2 4.21Å; I10-L64 PolarHBondContact N-O 3.17Å; I10-L64 PolarHBondContact O-N 3.04Å
11P92.3Very high87.9Confident19 Ų1957.4 Ų57.412%0.12330%0.296CS..  trans-72.8156.2-17929.9-34.6000112D14 I91P11-D14 HydrophobicContact CG-CB 4.28Å; P11-D14 PolarHBondContact O-N 2.78Å; P11-I91 VanDerWaalsContact CA-O 3.23Å; P11-I91 WeakPolarHBondContact CA-O 3.38Å; P11-I91 VanDerWaalsContact CB-O 3.31Å; P11-I91 WeakPolarHBondContact CB-O 3.35Å
12P87.5Confident90.2Very high27 Ų2749.4 Ų49.418%0.17525%0.253CS..THydrogen-bonded Turntrans-65.3141174.430.9-33.3000108.9P61 P90 I91P12-P61 WeakPolarHBondContact CB-O 3.42Å; P12-P90 HydrophobicContact CG-CB 4.33Å; P12-I91 WeakPolarHBondContact CD-O 3.43Å
13K87.7Confident91.7Very high207 Ų20748.3 Ų48.390%0.924%0.241SC*.THydrogen-bonded Turntrans86.7-10-172.9-49.5164.5-176.8175.10116.2
14D91.9Very high92.6Very high28 Ų2847.9 Ų47.915%0.1524%0.243CC..  trans-73.7161.5171-154.36.4000111.3I10 P11 R18 V59I10-D14 HydrophobicContact CG2-CB 4Å; P11-D14 HydrophobicContact CG-CB 4.28Å; P11-D14 PolarHBondContact O-N 2.78Å; D14-R18 WeakPolarHBondContact OD1-CD 3.49Å; D14-R18 IonicContact OD1-NH1 3.72Å; D14-R18 PolarHBondContact OD1-NH1 3.43Å; D14-R18 IonicContact OD2-NH1 3.3Å; D14-V59 WeakPolarHBondContact O-CG2 3.48Å
15Q92.7Very high93.3Very high130 Ų13051.9 Ų51.961%0.60726%0.264SS*.  trans-100.4130.2-179.4-63.3-177.48.100111S17 R18 V19Q15-S17 PolarHBondContact O-N 3.32Å; Q15-R18 HydrophobicContact CB-CB 4.44Å; Q15-R18 WeakPolarHBondContact O-CB 3.36Å; Q15-R18 PolarHBondContact O-N 3.35Å; Q15-V19 PolarHBondContact O-N 3.39Å
16I93.3Very high93.4Very high21 Ų2154.4 Ų54.411%0.10828%0.275CS..Hα-helixtrans-58.4-35.4176.6-64.6-176.4000111.4R18 V19 A20 L53 Y56 V59I16-R18 VanDerWaalsContact C-N 3.29Å; I16-R18 PolarHBondContact O-N 3.43Å; I16-V19 PolarHBondContact O-N 3.44Å; I16-A20 WeakPolarHBondContact O-CB 3.5Å; I16-A20 PolarHBondContact O-N 3.25Å; I16-L53 HydrophobicContact CG2-CB 4.27Å; I16-Y56 WeakPolarHBondContact CD1-O 3.04Å; I16-V59 HydrophobicContact CD1-CG2 4.35Å; I16-V59 HydrophobicContact CG1-CG2 3.58Å
17S93.4Very high93.4Very high79 Ų7957.7 Ų57.755%0.55229%0.29SS*.Hα-helixtrans-58.1-39.8176.954.70000112.8Q15 K21Q15-S17 PolarHBondContact O-N 3.32Å; S17-K21 PolarHBondContact O-N 3.17Å
18R93.8Very high93.4Very high162 Ų16259.6 Ų59.661%0.61131%0.309SS*.Hα-helixtrans-65.9-45.1176.9-177.4-171.4176-167.2-1.1111D14 Q15 I16 K21 M22D14-R18 WeakPolarHBondContact OD1-CD 3.49Å; D14-R18 IonicContact OD1-NH1 3.72Å; D14-R18 PolarHBondContact OD1-NH1 3.43Å; D14-R18 IonicContact OD2-NH1 3.3Å; Q15-R18 HydrophobicContact CB-CB 4.44Å; Q15-R18 WeakPolarHBondContact O-CB 3.36Å; Q15-R18 PolarHBondContact O-N 3.35Å; I16-R18 VanDerWaalsContact C-N 3.29Å; I16-R18 PolarHBondContact O-N 3.43Å; R18-K21 PolarHBondContact O-N 3.36Å; R18-M22 PolarHBondContact O-N 3.26Å
19V94.3Very high93.2Very high2 Ų263.2 Ų63.21%0.01233%0.332CS..Hα-helixtrans-66.8-40.3178.5-176.80000111.2L8 I10 Q15 I16 K21 M22 L23 L53L8-V19 HydrophobicContact CD1-CG1 4.13Å; L8-V19 HydrophobicContact CD2-CG1 3.97Å; I10-V19 HydrophobicContact CD1-CB 4.29Å; I10-V19 HydrophobicContact CD1-CG1 3.85Å; I10-V19 HydrophobicContact CD1-CG2 4.05Å; I10-V19 HydrophobicContact CG1-CG1 4.31Å; I10-V19 HydrophobicContact CG1-CG2 4.2Å; I10-V19 HydrophobicContact CG2-CG2 4.07Å; Q15-V19 PolarHBondContact O-N 3.39Å; I16-V19 PolarHBondContact O-N 3.44Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 3.48Å; V19-M22 WeakPolarHBondContact O-CB 3.45Å; V19-M22 PolarHBondContact O-N 3.16Å; V19-L23 HydrophobicContact CG1-CD1 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.21Å; V19-L23 PolarHBondContact O-N 3.31Å; V19-L53 HydrophobicContact CG1-CD1 3.91Å
20A94.2Very high93Very high39 Ų3963.4 Ų63.432%0.32233%0.333SS..Hα-helixtrans-61.2-39.3174.600000112I16 A24I16-A20 WeakPolarHBondContact O-CB 3.5Å; I16-A20 PolarHBondContact O-N 3.25Å; A20-A24 PolarHBondContact O-N 3.37Å; A20-A24 VanDerWaalsContact O-N 3.08Å
21K95.5Very high92.9Very high142 Ų14265.5 Ų65.562%0.61735%0.349SS*.Hα-helixtrans-65-47174-175.3-179.5176-176.50111.7S17 R18 V19 L23 A24 D25S17-K21 PolarHBondContact O-N 3.17Å; R18-K21 PolarHBondContact O-N 3.36Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 3.48Å; K21-L23 VanDerWaalsContact C-N 3.3Å; K21-L23 PolarHBondContact O-N 3.44Å; K21-A24 WeakPolarHBondContact O-CA 3.4Å; K21-A24 WeakPolarHBondContact O-CB 3.32Å; K21-A24 PolarHBondContact O-N 3Å; K21-D25 PolarHBondContact O-N 2.96Å
22M95Very high92.9Very high61 Ų6171 Ų7130%0.338%0.377SS..Hα-helixtrans-54.4-47.3175.8-173.8-156.5-46.100111.3R18 V19 A24 D25 E26 Y96R18-M22 PolarHBondContact O-N 3.26Å; V19-M22 WeakPolarHBondContact O-CB 3.45Å; V19-M22 PolarHBondContact O-N 3.16Å; M22-A24 VanDerWaalsContact C-N 3.28Å; M22-A24 PolarHBondContact O-N 3.22Å; M22-D25 PolarHBondContact O-N 3.41Å; M22-E26 WeakPolarHBondContact O-CG 3.44Å; M22-E26 PolarHBondContact O-N 3.16Å; M22-Y96 HydrophobicContact SD-CG 4.3Å
23L94.4Very high93Very high0 Ų072 Ų720%038%0.38CS..Hα-helixtrans-64.8-30.1177.1-70.3169.9000113.1L8 V19 K21 F27 I46 V49 Q50 L53 Y96L8-L23 HydrophobicContact CD2-CD1 4.34Å; V19-L23 HydrophobicContact CG1-CD1 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.21Å; V19-L23 PolarHBondContact O-N 3.31Å; K21-L23 VanDerWaalsContact C-N 3.3Å; K21-L23 PolarHBondContact O-N 3.44Å; L23-F27 WeakPolarHBondContact O-CB 3.31Å; L23-F27 PolarHBondContact O-N 2.97Å; L23-I46 HydrophobicContact CB-CG2 4.26Å; L23-I46 HydrophobicContact CD2-CG2 4.44Å; L23-I46 WeakPolarHBondContact O-CG2 3.47Å; L23-V49 HydrophobicContact CD1-CB 4.37Å; L23-V49 HydrophobicContact CD1-CG1 3.6Å; L23-V49 HydrophobicContact CD2-CG1 4.44Å; L23-Q50 HydrophobicContact CB-CG 3.91Å; L23-Q50 HydrophobicContact CD1-CG 4.15Å; L23-Q50 PolarHBondContact O-NE2 3.29Å; L23-L53 HydrophobicContact CD1-CD1 3.33Å; L23-Y96 HydrophobicContact CD2-CD2 4.28Å; L23-Y96 HydrophobicContact CD2-CE2 3.63Å
24A94.6Very high93.2Very high50 Ų5072.1 Ų72.141%0.41338%0.381SS..Hα-helixtrans-70.9-39.6175.200000111.8A20 K21 M22 F27 G28A20-A24 PolarHBondContact O-N 3.37Å; A20-A24 VanDerWaalsContact O-N 3.08Å; K21-A24 WeakPolarHBondContact O-CA 3.4Å; K21-A24 WeakPolarHBondContact O-CB 3.32Å; K21-A24 PolarHBondContact O-N 3Å; M22-A24 VanDerWaalsContact C-N 3.28Å; M22-A24 PolarHBondContact O-N 3.22Å; A24-F27 WeakPolarHBondContact O-CB 3.18Å; A24-F27 PolarHBondContact O-N 2.89Å; A24-G28 PolarHBondContact O-N 3.46Å; A24-G28 VanDerWaalsContact O-N 3.16Å
25D94.8Very high93.1Very high97 Ų9773.9 Ų73.952%0.51940%0.395SS..Hα-helixtrans-64.6-43.7174.3-63.8-25.4000110.3K21 M22 F27 G28 T29K21-D25 PolarHBondContact O-N 2.96Å; M22-D25 PolarHBondContact O-N 3.41Å; D25-F27 VanDerWaalsContact C-N 3.35Å; D25-F27 PolarHBondContact O-N 3.39Å; D25-G28 WeakPolarHBondContact O-CA 3.26Å; D25-G28 PolarHBondContact O-N 3.45Å; D25-G28 VanDerWaalsContact O-N 3.09Å; D25-T29 PolarHBondContact O-N 3.24Å
26E93Very high92.9Very high70 Ų7076.5 Ų76.533%0.32740%0.4SS..Hα-helixtrans-65.2-33.1175.4-71.1-64.3144.600113.4M22 G28 T29 A30 I46 Y96M22-E26 WeakPolarHBondContact O-CG 3.44Å; M22-E26 PolarHBondContact O-N 3.16Å; E26-G28 VanDerWaalsContact C-N 3.29Å; E26-G28 PolarHBondContact O-N 3.24Å; E26-T29 WeakPolarHBondContact CA-OG1 3.41Å; E26-T29 PolarHBondContact O-N 3.5Å; E26-T29 PolarHBondContact O-OG1 3.27Å; E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 3.35Å; E26-I46 HydrophobicContact CB-CD1 4.31Å; E26-Y96 HydrophobicContact CB-CE1 4.44Å; E26-Y96 WeakPolarHBondContact CB-OH 3.24Å; E26-Y96 HydrophobicContact CG-CE1 3.61Å; E26-Y96 WeakPolarHBondContact CG-OH 3.21Å
27F94.3Very high92.6Very high71 Ų7180.6 Ų80.631%0.31143%0.425SS..Hα-helixtrans-63.6-38.6171.4-171.7-88.4000111.6L23 A24 D25 S31 L43 I46 T47L23-F27 WeakPolarHBondContact O-CB 3.31Å; L23-F27 PolarHBondContact O-N 2.97Å; A24-F27 WeakPolarHBondContact O-CB 3.18Å; A24-F27 PolarHBondContact O-N 2.89Å; D25-F27 VanDerWaalsContact C-N 3.35Å; D25-F27 PolarHBondContact O-N 3.39Å; F27-S31 PolarHBondContact O-N 3.21Å; F27-S31 PolarHBondContact O-OG 3.32Å; F27-L43 HydrophobicContact CD1-CD2 4.13Å; F27-L43 HydrophobicContact CD2-CD2 3.61Å; F27-L43 HydrophobicContact CE1-CD2 4.06Å; F27-L43 HydrophobicContact CE2-CB 3.9Å; F27-L43 HydrophobicContact CE2-CD2 3.53Å; F27-L43 HydrophobicContact CE2-CG 4.27Å; F27-L43 HydrophobicContact CG-CD2 3.92Å; F27-L43 HydrophobicContact CZ-CB 4.41Å; F27-L43 HydrophobicContact CZ-CD2 3.77Å; F27-L43 WeakPolarHBondContact O-CD2 3.3Å; F27-I46 HydrophobicContact CB-CG2 4.02Å; F27-I46 HydrophobicContact CD2-CB 4.2Å; F27-I46 HydrophobicContact CD2-CG2 3.95Å; F27-I46 HydrophobicContact CG-CG2 4.5Å; F27-T47 WeakPolarHBondContact CE2-OG1 3.48Å
28G93.8Very high92.2Very high40 Ų4078.3 Ų78.341%0.41241%0.407SS..Hα-helixtrans-64.9-45.8175.400000112.5A24 D25 E26 S31A24-G28 PolarHBondContact O-N 3.46Å; A24-G28 VanDerWaalsContact O-N 3.16Å; D25-G28 WeakPolarHBondContact O-CA 3.26Å; D25-G28 PolarHBondContact O-N 3.45Å; D25-G28 VanDerWaalsContact O-N 3.09Å; E26-G28 VanDerWaalsContact C-N 3.29Å; E26-G28 PolarHBondContact O-N 3.24Å; G28-S31 WeakPolarHBondContact O-CB 3.38Å; G28-S31 PolarHBondContact O-N 3.24Å
29T91.7Very high92.1Very high78 Ų7874.7 Ų74.748%0.47939%0.393SS..Hα-helixtrans-66.6-41.3177.659.60000111.8D25 E26 S31 N32D25-T29 PolarHBondContact O-N 3.24Å; E26-T29 WeakPolarHBondContact CA-OG1 3.41Å; E26-T29 PolarHBondContact O-N 3.5Å; E26-T29 PolarHBondContact O-OG1 3.27Å; T29-S31 PolarHBondContact O-N 3.26Å; T29-N32 WeakPolarHBondContact O-CB 3.46Å; T29-N32 PolarHBondContact O-N 3.36Å
30A90.8Very high91.9Very high6 Ų679.5 Ų79.55%0.0542%0.418CS..Hα-helixtrans-61.2-25.417800000113.1E26 N32 I33 R39 V42 L43 I46E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 3.35Å; A30-N32 PolarHBondContact O-N 2.89Å; A30-I33 HydrophobicContact CB-CD1 4.11Å; A30-I33 WeakPolarHBondContact O-CB 3.29Å; A30-I33 WeakPolarHBondContact O-CD1 3.31Å; A30-I33 VanDerWaalsContact O-CG1 3.23Å; A30-I33 WeakPolarHBondContact O-CG1 3.35Å; A30-I33 PolarHBondContact O-N 3.22Å; A30-R39 WeakPolarHBondContact O-CG 3.48Å; A30-V42 HydrophobicContact CB-CG1 3.75Å; A30-L43 HydrophobicContact CB-CD2 3.86Å; A30-I46 HydrophobicContact CB-CD1 4.18Å
31S91.8Very high91.6Very high47 Ų4779.1 Ų79.133%0.32941%0.413SS..THydrogen-bonded Turntrans-63.8-24.3176.3-64.10000112.9F27 G28 T29 I33 R39F27-S31 PolarHBondContact O-N 3.21Å; F27-S31 PolarHBondContact O-OG 3.32Å; G28-S31 WeakPolarHBondContact O-CB 3.38Å; G28-S31 PolarHBondContact O-N 3.24Å; T29-S31 PolarHBondContact O-N 3.26Å; S31-I33 VanDerWaalsContact C-N 3.31Å; S31-I33 PolarHBondContact O-N 3.35Å; S31-R39 WeakPolarHBondContact O-CD 3.12Å
32N91.9Very high91.3Very high135 Ų13572.9 Ų72.972%0.72239%0.387SS*.THydrogen-bonded Turntrans-83.7-0.1178.6-64-37.5000114T29 A30 K34T29-N32 WeakPolarHBondContact O-CB 3.46Å; T29-N32 PolarHBondContact O-N 3.36Å; A30-N32 PolarHBondContact O-N 2.89Å; N32-K34 PolarHBondContact O-N 3.15Å
33I90.1Very high91.2Very high47 Ų4771.2 Ų71.224%0.24138%0.379CS..  trans-63.5128.7177.6-66.1169.3000110A30 S31 N38 R39 V42A30-I33 HydrophobicContact CB-CD1 4.11Å; A30-I33 WeakPolarHBondContact O-CB 3.29Å; A30-I33 WeakPolarHBondContact O-CD1 3.31Å; A30-I33 VanDerWaalsContact O-CG1 3.23Å; A30-I33 WeakPolarHBondContact O-CG1 3.35Å; A30-I33 PolarHBondContact O-N 3.22Å; S31-I33 VanDerWaalsContact C-N 3.31Å; S31-I33 PolarHBondContact O-N 3.35Å; I33-N38 HydrophobicContact CG2-CB 4.4Å; I33-R39 HydrophobicContact CB-CB 3.92Å; I33-R39 HydrophobicContact CB-CG 4.27Å; I33-R39 HydrophobicContact CG2-CB 4.02Å; I33-R39 WeakPolarHBondContact O-CD 3.39Å; I33-R39 PolarHBondContact O-NH1 3.39Å; I33-V42 HydrophobicContact CD1-CB 4.41Å; I33-V42 HydrophobicContact CD1-CG1 4.47Å; I33-V42 HydrophobicContact CD1-CG2 4.36Å
34K91.3Very high91Very high209 Ų20972.3 Ų72.391%0.90939%0.39SS*.SBendtrans-70-39.7-177.7-64.4-178.8-178.91780113.1N32 R36N32-K34 PolarHBondContact O-N 3.15Å; K34-R36 PolarHBondContact O-N 3.02Å
35S90.1Very high90.9Very high65 Ų6570.1 Ų70.146%0.45537%0.372SS..  trans-72.6115.1178.91770000110.5V37 N38 R39S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 PolarHBondContact O-N 3.27Å; S35-N38 PolarHBondContact O-N 3.32Å; S35-R39 WeakPolarHBondContact O-CB 3.14Å; S35-R39 PolarHBondContact O-N 3.31Å
36R88.4Confident90.8Very high186 Ų18665.5 Ų65.570%0.70235%0.348SS*.Hα-helixtrans-57.9-43.4-178.5-179.3-178.6174.3-175.5-1.1112.4K34 L40K34-R36 PolarHBondContact O-N 3.02Å; R36-L40 HydrophobicContact CG-CD1 4.14Å; R36-L40 WeakPolarHBondContact O-CG 3.49Å; R36-L40 PolarHBondContact O-N 3.29Å; R36-L40 VanDerWaalsContact O-N 3.13Å
37V87.3Confident90.8Very high106 Ų10664.5 Ų64.564%0.64235%0.346SS*.Hα-helixtrans-67.2-52.5-177.9-179.20000110.1S35 R39 L40 S41S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 PolarHBondContact O-N 3.27Å; V37-R39 VanDerWaalsContact C-N 3.3Å; V37-R39 PolarHBondContact O-N 2.97Å; V37-L40 PolarHBondContact O-N 3.03Å; V37-S41 PolarHBondContact O-N 3.31Å; V37-S41 VanDerWaalsContact O-N 3.09Å; V37-S41 PolarHBondContact O-OG 3.05Å
38N86.3Confident90.8Very high32 Ų3262.4 Ų62.417%0.17134%0.34CS..Hα-helixtrans-61-41.1-179.9-162.634000111.5T3 I33 S35 L40 S41 V42T3-N38 PolarHBondContact N-OD1 2.95Å; T3-N38 PolarHBondContact OG1-ND2 3.22Å; I33-N38 HydrophobicContact CG2-CB 4.4Å; S35-N38 PolarHBondContact O-N 3.32Å; N38-L40 PolarHBondContact O-N 3.47Å; N38-S41 PolarHBondContact O-N 2.85Å; N38-V42 VanDerWaalsContact O-CG2 3.28Å; N38-V42 WeakPolarHBondContact O-CG2 3.3Å; N38-V42 PolarHBondContact O-N 2.95Å
39R89.8Confident90.8Very high86 Ų8660.5 Ų60.533%0.32532%0.321SS..Hα-helixtrans-57.9-50.2176.6-178170.865.3-165.38.9112.2A30 S31 I33 S35 V37 S41 V42 L43A30-R39 WeakPolarHBondContact O-CG 3.48Å; S31-R39 WeakPolarHBondContact O-CD 3.12Å; I33-R39 HydrophobicContact CB-CB 3.92Å; I33-R39 HydrophobicContact CB-CG 4.27Å; I33-R39 HydrophobicContact CG2-CB 4.02Å; I33-R39 WeakPolarHBondContact O-CD 3.39Å; I33-R39 PolarHBondContact O-NH1 3.39Å; S35-R39 WeakPolarHBondContact O-CB 3.14Å; S35-R39 PolarHBondContact O-N 3.31Å; V37-R39 VanDerWaalsContact C-N 3.3Å; V37-R39 PolarHBondContact O-N 2.97Å; R39-S41 VanDerWaalsContact C-N 3.32Å; R39-S41 PolarHBondContact O-N 3.36Å; R39-V42 PolarHBondContact O-N 3.39Å; R39-L43 HydrophobicContact CG-CD1 3.76Å; R39-L43 HydrophobicContact CG-CG 4.28Å; R39-L43 WeakPolarHBondContact O-CB 3.35Å; R39-L43 VanDerWaalsContact O-CG 3.22Å; R39-L43 WeakPolarHBondContact O-CG 3.3Å; R39-L43 PolarHBondContact O-N 3.47Å
40L89.9Confident90.8Very high102 Ų10259 Ų5953%0.53431%0.309SS..Hα-helixtrans-64.1-39.2-178.8-73.4170.5000111.7R36 V37 N38 G44R36-L40 HydrophobicContact CG-CD1 4.14Å; R36-L40 WeakPolarHBondContact O-CG 3.49Å; R36-L40 PolarHBondContact O-N 3.29Å; R36-L40 VanDerWaalsContact O-N 3.13Å; V37-L40 PolarHBondContact O-N 3.03Å; N38-L40 PolarHBondContact O-N 3.47Å; L40-G44 PolarHBondContact O-N 2.98Å
41S88.3Confident91Very high32 Ų3264.2 Ų64.222%0.22433%0.332CS..Hα-helixtrans-65.1-46.5177-58.20000112.1V37 N38 R39 G44 A45V37-S41 PolarHBondContact O-N 3.31Å; V37-S41 VanDerWaalsContact O-N 3.09Å; V37-S41 PolarHBondContact O-OG 3.05Å; N38-S41 PolarHBondContact O-N 2.85Å; R39-S41 VanDerWaalsContact C-N 3.32Å; R39-S41 PolarHBondContact O-N 3.36Å; S41-G44 PolarHBondContact O-N 3.48Å; S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 3.4Å
42V90.2Very high90.9Very high10 Ų1066.5 Ų66.56%0.06133%0.333CS..Hα-helixtrans-63.6-48.3178.11740000111.2T3 A30 I33 N38 R39 G44 A45 I46T3-V42 VanDerWaalsContact O-CG2 3.31Å; T3-V42 WeakPolarHBondContact O-CG2 3.4Å; A30-V42 HydrophobicContact CB-CG1 3.75Å; I33-V42 HydrophobicContact CD1-CB 4.41Å; I33-V42 HydrophobicContact CD1-CG1 4.47Å; I33-V42 HydrophobicContact CD1-CG2 4.36Å; N38-V42 VanDerWaalsContact O-CG2 3.28Å; N38-V42 WeakPolarHBondContact O-CG2 3.3Å; N38-V42 PolarHBondContact O-N 2.95Å; R39-V42 PolarHBondContact O-N 3.39Å; V42-G44 VanDerWaalsContact C-N 3.29Å; V42-G44 PolarHBondContact O-N 2.86Å; V42-A45 PolarHBondContact O-N 2.95Å; V42-A45 VanDerWaalsContact O-N 3.16Å; V42-I46 HydrophobicContact CG1-CD1 3.84Å; V42-I46 HydrophobicContact CG1-CG1 4.37Å; V42-I46 WeakPolarHBondContact O-CG1 3.45Å; V42-I46 PolarHBondContact O-N 2.88Å
43L91.8Very high91Very high27 Ų2760.2 Ų60.214%0.14130%0.299CS..Hα-helixtrans-60.6-39.3177.7-67.8173.9000111.8F27 A30 R39 T47F27-L43 HydrophobicContact CD1-CD2 4.13Å; F27-L43 HydrophobicContact CD2-CD2 3.61Å; F27-L43 HydrophobicContact CE1-CD2 4.06Å; F27-L43 HydrophobicContact CE2-CB 3.9Å; F27-L43 HydrophobicContact CE2-CD2 3.53Å; F27-L43 HydrophobicContact CE2-CG 4.27Å; F27-L43 HydrophobicContact CG-CD2 3.92Å; F27-L43 HydrophobicContact CZ-CB 4.41Å; F27-L43 HydrophobicContact CZ-CD2 3.77Å; F27-L43 WeakPolarHBondContact O-CD2 3.3Å; A30-L43 HydrophobicContact CB-CD2 3.86Å; R39-L43 HydrophobicContact CG-CD1 3.76Å; R39-L43 HydrophobicContact CG-CG 4.28Å; R39-L43 WeakPolarHBondContact O-CB 3.35Å; R39-L43 VanDerWaalsContact O-CG 3.22Å; R39-L43 WeakPolarHBondContact O-CG 3.3Å; R39-L43 PolarHBondContact O-N 3.47Å; L43-T47 WeakPolarHBondContact O-CB 3.4Å; L43-T47 PolarHBondContact O-N 2.83Å; L43-T47 PolarHBondContact O-OG1 3.36Å
44G91.1Very high91.1Very high22 Ų2266.1 Ų66.123%0.22732%0.324CS..Hα-helixtrans-64.2-41175.100000113L40 S41 V42 S48L40-G44 PolarHBondContact O-N 2.98Å; S41-G44 PolarHBondContact O-N 3.48Å; V42-G44 VanDerWaalsContact C-N 3.29Å; V42-G44 PolarHBondContact O-N 2.86Å; G44-S48 WeakPolarHBondContact O-CB 3.3Å; G44-S48 PolarHBondContact O-N 2.98Å; G44-S48 VanDerWaalsContact O-N 3.12Å; G44-S48 PolarHBondContact O-OG 3.32Å
45A92.1Very high91.2Very high5 Ų561.6 Ų61.64%0.04131%0.309CS..Hα-helixtrans-66.3-49.1176.900000111.4I6 S41 V42 T47 S48 V49I6-A45 HydrophobicContact CD1-CB 3.58Å; I6-A45 HydrophobicContact CG1-CB 3.95Å; S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 3.4Å; V42-A45 PolarHBondContact O-N 2.95Å; V42-A45 VanDerWaalsContact O-N 3.16Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 2.87Å; A45-S48 WeakPolarHBondContact O-CB 3.22Å; A45-S48 PolarHBondContact O-N 2.71Å; A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 2.99Å
46I93.4Very high91.4Very high0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-58.5-44.6177.9-64.9172.7000110.9I6 L23 E26 F27 A30 V42 S48 V49 Q50I6-I46 HydrophobicContact CD1-CB 4.31Å; I6-I46 HydrophobicContact CD1-CG1 3.56Å; L23-I46 HydrophobicContact CB-CG2 4.26Å; L23-I46 HydrophobicContact CD2-CG2 4.44Å; L23-I46 WeakPolarHBondContact O-CG2 3.47Å; E26-I46 HydrophobicContact CB-CD1 4.31Å; F27-I46 HydrophobicContact CB-CG2 4.02Å; F27-I46 HydrophobicContact CD2-CB 4.2Å; F27-I46 HydrophobicContact CD2-CG2 3.95Å; F27-I46 HydrophobicContact CG-CG2 4.5Å; A30-I46 HydrophobicContact CB-CD1 4.18Å; V42-I46 HydrophobicContact CG1-CD1 3.84Å; V42-I46 HydrophobicContact CG1-CG1 4.37Å; V42-I46 WeakPolarHBondContact O-CG1 3.45Å; V42-I46 PolarHBondContact O-N 2.88Å; I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.31Å; I46-V49 PolarHBondContact O-N 2.62Å; I46-Q50 HydrophobicContact CG2-CG 4.36Å; I46-Q50 WeakPolarHBondContact O-CG 3.45Å; I46-Q50 PolarHBondContact O-N 3.43Å
47T93.6Very high91.5Very high48 Ų4860.2 Ų60.229%0.29431%0.306SS..Hα-helixtrans-59.3-40.2177.2-55.90000111.6F27 L43 A45 Q50 Q51F27-T47 WeakPolarHBondContact CE2-OG1 3.48Å; L43-T47 WeakPolarHBondContact O-CB 3.4Å; L43-T47 PolarHBondContact O-N 2.83Å; L43-T47 PolarHBondContact O-OG1 3.36Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 2.87Å; T47-Q50 PolarHBondContact O-N 2.97Å; T47-Q51 WeakPolarHBondContact O-CG 3.4Å; T47-Q51 PolarHBondContact O-N 3.5Å
48S92.8Very high91.8Very high27 Ų2763.4 Ų63.419%0.18931%0.311CS..Hα-helixtrans-67.5-40.4179.5-57.80000111.8G44 A45 I46 Q51 R52 C68 N82G44-S48 WeakPolarHBondContact O-CB 3.3Å; G44-S48 PolarHBondContact O-N 2.98Å; G44-S48 VanDerWaalsContact O-N 3.12Å; G44-S48 PolarHBondContact O-OG 3.32Å; A45-S48 WeakPolarHBondContact O-CB 3.22Å; A45-S48 PolarHBondContact O-N 2.71Å; I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.31Å; S48-Q51 PolarHBondContact O-N 2.54Å; S48-R52 WeakPolarHBondContact O-CG 3.39Å; S48-R52 PolarHBondContact O-N 3.38Å; S48-R52 VanDerWaalsContact O-N 3.08Å; S48-C68 VanDerWaalsContact CB-SG 3.54Å; S48-N82 PolarHBondContact O-ND2 2.83Å
49V93.9Very high92.1Very high0 Ų062.8 Ų62.80%031%0.309CS..Hα-helixtrans-65.1-45.5174177.60000111I6 L8 L23 A45 I46 Q51 R52 L53 V66 C68I6-V49 HydrophobicContact CD1-CG2 4.33Å; I6-V49 HydrophobicContact CG2-CG2 4.43Å; L8-V49 HydrophobicContact CD2-CG1 3.69Å; L23-V49 HydrophobicContact CD1-CB 4.37Å; L23-V49 HydrophobicContact CD1-CG1 3.6Å; L23-V49 HydrophobicContact CD2-CG1 4.44Å; A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 2.99Å; I46-V49 PolarHBondContact O-N 2.62Å; V49-Q51 VanDerWaalsContact C-N 3.28Å; V49-Q51 PolarHBondContact O-N 3.5Å; V49-R52 PolarHBondContact O-N 3.15Å; V49-R52 VanDerWaalsContact O-N 3.13Å; V49-L53 HydrophobicContact CG1-CD1 4.11Å; V49-L53 HydrophobicContact CG1-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.43Å; V49-L53 PolarHBondContact O-N 2.82Å; V49-V66 HydrophobicContact CG1-CG1 4.16Å; V49-V66 HydrophobicContact CG2-CG1 4.15Å; V49-C68 HydrophobicContact CG2-CB 3.36Å
50Q93.1Very high92.3Very high48 Ų4859.6 Ų59.622%0.22430%0.299CS..Hα-helixtrans-59-39176.7-75.4-179.5-15.900112.2L23 I46 T47 K54L23-Q50 HydrophobicContact CB-CG 3.91Å; L23-Q50 HydrophobicContact CD1-CG 4.15Å; L23-Q50 PolarHBondContact O-NE2 3.29Å; I46-Q50 HydrophobicContact CG2-CG 4.36Å; I46-Q50 WeakPolarHBondContact O-CG 3.45Å; I46-Q50 PolarHBondContact O-N 3.43Å; T47-Q50 PolarHBondContact O-N 2.97Å; Q50-K54 WeakPolarHBondContact O-CG 3.43Å; Q50-K54 PolarHBondContact O-N 3.5Å
51Q93.1Very high92.3Very high115 Ų11559.5 Ų59.554%0.53731%0.305SS..Hα-helixtrans-66.8-39.2175.5-74.8177.7-2.400112.4T47 S48 V49 K54T47-Q51 WeakPolarHBondContact O-CG 3.4Å; T47-Q51 PolarHBondContact O-N 3.5Å; S48-Q51 PolarHBondContact O-N 2.54Å; V49-Q51 VanDerWaalsContact C-N 3.28Å; V49-Q51 PolarHBondContact O-N 3.5Å; Q51-K54 PolarHBondContact O-N 2.98Å
52R91.4Very high92.4Very high94 Ų9459.9 Ų59.936%0.35530%0.304SS..Hα-helixtrans-64.5-46.1174.2-73.2-66.5100.2143.71.7112.1S48 V49 K54 L55 N82 D84S48-R52 WeakPolarHBondContact O-CG 3.39Å; S48-R52 PolarHBondContact O-N 3.38Å; S48-R52 VanDerWaalsContact O-N 3.08Å; V49-R52 PolarHBondContact O-N 3.15Å; V49-R52 VanDerWaalsContact O-N 3.13Å; R52-K54 PolarHBondContact O-N 3.35Å; R52-K54 VanDerWaalsContact O-N 3.14Å; R52-L55 VanDerWaalsContact O-CB 3.26Å; R52-L55 WeakPolarHBondContact O-CB 3.49Å; R52-L55 PolarHBondContact O-N 3.32Å; R52-N82 WeakPolarHBondContact CG-ND2 3.45Å; R52-D84 VanDerWaalsContact CD-OD1 3.23Å; R52-D84 WeakPolarHBondContact CD-OD1 3.17Å
53L92.8Very high92.5Very high3 Ų359.4 Ų59.42%0.01630%0.301CS..Hα-helixtrans-60.1-28-179.7-73.2175.4000113L8 I10 I16 V19 L23 V49 L55 Y56 L64L8-L53 HydrophobicContact CD2-CD1 4.3Å; I10-L53 HydrophobicContact CD1-CD2 3.82Å; I16-L53 HydrophobicContact CG2-CB 4.27Å; V19-L53 HydrophobicContact CG1-CD1 3.91Å; L23-L53 HydrophobicContact CD1-CD1 3.33Å; V49-L53 HydrophobicContact CG1-CD1 4.11Å; V49-L53 HydrophobicContact CG1-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.43Å; V49-L53 PolarHBondContact O-N 2.82Å; L53-L55 PolarHBondContact O-N 3.48Å; L53-Y56 PolarHBondContact O-N 2.88Å; L53-Y56 VanDerWaalsContact O-O 3.1Å; L53-L64 HydrophobicContact CD2-CD2 3.78Å
54K93.1Very high92.6Very high172 Ų17258.1 Ų58.175%0.74829%0.294SS*.THydrogen-bonded Turntrans-65.7-21.5173.7-72.6175.8-176.7-1770114Q50 Q51 R52 Y56Q50-K54 WeakPolarHBondContact O-CG 3.43Å; Q50-K54 PolarHBondContact O-N 3.5Å; Q51-K54 PolarHBondContact O-N 2.98Å; R52-K54 PolarHBondContact O-N 3.35Å; R52-K54 VanDerWaalsContact O-N 3.14Å; K54-Y56 VanDerWaalsContact C-N 3.26Å
55L93.3Very high92.8Very high114 Ų11457 Ų5760%0.59728%0.283SS*.THydrogen-bonded Turntrans-72.8-23.7175.5-58.5176000111.7R52 L53R52-L55 VanDerWaalsContact O-CB 3.26Å; R52-L55 WeakPolarHBondContact O-CB 3.49Å; R52-L55 PolarHBondContact O-N 3.32Å; L53-L55 PolarHBondContact O-N 3.48Å
56Y92.9Very high93Very high61 Ų6156.8 Ų56.824%0.23928%0.281CS..  trans-97.6121.8-180-64.7-87.3000110.4I16 L53 K54 P60 L64 D84I16-Y56 WeakPolarHBondContact CD1-O 3.04Å; L53-Y56 PolarHBondContact O-N 2.88Å; L53-Y56 VanDerWaalsContact O-O 3.1Å; K54-Y56 VanDerWaalsContact C-N 3.26Å; Y56-P60 HydrophobicContact CD1-CG 4.29Å; Y56-P60 HydrophobicContact CE1-CG 4.33Å; Y56-L64 HydrophobicContact CD2-CD2 3.95Å; Y56-L64 HydrophobicContact CE1-CD1 4.01Å; Y56-L64 HydrophobicContact CE2-CD1 4.1Å; Y56-L64 HydrophobicContact CE2-CD2 4.11Å; Y56-L64 HydrophobicContact CG-CD2 4.21Å; Y56-D84 VanDerWaalsContact CE2-OD2 3.28Å; Y56-D84 WeakPolarHBondContact CE2-OD2 3.48Å; Y56-D84 PolarHBondContact OH-OD2 3.29Å
57N91.3Very high93Very high160 Ų16057.5 Ų57.586%0.85628%0.284SS*.SBendtrans-77.8-33.4174.7-75.3-35.2000112.5
58K92.9Very high93Very high173 Ų17355.4 Ų55.475%0.75227%0.271SS*.SBendtrans-142.7153.5178.1-67-176.3-178.8177.90109.1
59V93.6Very high92.9Very high20 Ų2054.3 Ų54.312%0.12126%0.264CS..  trans-63.7130172.2-175.50000107.9I10 D14 I16 L64I10-V59 HydrophobicContact CG2-CG1 4.06Å; I10-V59 HydrophobicContact CG2-CG2 3.73Å; D14-V59 WeakPolarHBondContact O-CG2 3.48Å; I16-V59 HydrophobicContact CD1-CG2 4.35Å; I16-V59 HydrophobicContact CG1-CG2 3.58Å; V59-L64 HydrophobicContact CG1-CB 4.3Å
60P94.1Very high92.6Very high18 Ų1855.6 Ų55.612%0.11727%0.272CS..  trans-57160.4175.9-22.733.1000113.1Y56 N62 G63 E86Y56-P60 HydrophobicContact CD1-CG 4.29Å; Y56-P60 HydrophobicContact CE1-CG 4.33Å; P60-N62 PolarHBondContact O-N 3.35Å; P60-G63 PolarHBondContact O-N 3.47Å; P60-E86 HydrophobicContact CB-CB 4.23Å; P60-E86 HydrophobicContact CB-CG 3.85Å; P60-E86 VanDerWaalsContact CB-OE1 3.24Å; P60-E86 WeakPolarHBondContact CB-OE1 3.39Å; P60-E86 WeakPolarHBondContact CB-OE2 3.43Å; P60-E86 HydrophobicContact CG-CB 4.41Å
61P89.8Confident92.3Very high101 Ų10156.1 Ų56.166%0.65628%0.276SS*.THydrogen-bonded Turntrans-62.4-27.4-174.325.5-35.2000113.9P12 E86P12-P61 WeakPolarHBondContact CB-O 3.42Å; P61-E86 WeakPolarHBondContact CD-OE1 3.44Å; P61-E86 VanDerWaalsContact CG-OE1 3.3Å; P61-E86 WeakPolarHBondContact CG-OE1 3.34Å
62N90.1Very high92Very high39 Ų3955.3 Ų55.321%0.20928%0.279CS..THydrogen-bonded Turntrans-90-5.2175.8-66-17.7000113.5P60 E86 P87 F88 P90 I91P60-N62 PolarHBondContact O-N 3.35Å; N62-E86 HydrophobicContact CB-CG 3.8Å; N62-E86 WeakPolarHBondContact CB-OE1 3.27Å; N62-E86 PolarHBondContact N-OE1 2.76Å; N62-P87 HydrophobicContact CB-CG 4.32Å; N62-P87 WeakPolarHBondContact CB-O 3.46Å; N62-P87 PolarHBondContact ND2-O 3.3Å; N62-F88 PolarHBondContact ND2-O 2.84Å; N62-P90 CarbonylContact O-C 3.6Å; N62-P90 VanDerWaalsContact O-CA 3.29Å; N62-P90 WeakPolarHBondContact O-CA 3.46Å; N62-P90 WeakPolarHBondContact OD1-CG 3.46Å; N62-I91 WeakPolarHBondContact O-CG1 3.38Å; N62-I91 PolarHBondContact O-N 3.39Å
63G92.4Very high91.6Very high0 Ų053.1 Ų53.10%028%0.276CS..  trans100.5-176.9-170.600000112.2I10 P60I10-G63 CarbonylContact O-C 3.55Å; I10-G63 VanDerWaalsContact O-CA 3.23Å; I10-G63 WeakPolarHBondContact O-CA 3.48Å; P60-G63 PolarHBondContact O-N 3.47Å
64L94.7Very high91.1Very high0 Ų062.9 Ų62.90%032%0.322CS..EExtended strand (participates in β ladder)trans-136.6131.6178.9-176.265.3000110I10 L53 Y56 V59 V66I10-L64 HydrophobicContact CB-CB 4.34Å; I10-L64 HydrophobicContact CD1-CB 4.39Å; I10-L64 HydrophobicContact CD1-CD2 4.21Å; I10-L64 PolarHBondContact N-O 3.17Å; I10-L64 PolarHBondContact O-N 3.04Å; L53-L64 HydrophobicContact CD2-CD2 3.78Å; Y56-L64 HydrophobicContact CD2-CD2 3.95Å; Y56-L64 HydrophobicContact CE1-CD1 4.01Å; Y56-L64 HydrophobicContact CE2-CD1 4.1Å; Y56-L64 HydrophobicContact CE2-CD2 4.11Å; Y56-L64 HydrophobicContact CG-CD2 4.21Å; V59-L64 HydrophobicContact CG1-CB 4.3Å; L64-V66 HydrophobicContact CD2-CG2 4.08Å; L64-V66 HydrophobicContact CG-CG2 3.98Å
65V95.1Very high90.6Very high0 Ų061.5 Ų61.50%032%0.318CS..EExtended strand (participates in β ladder)trans-113.6131.8172.4-178.60000109.2I9 Y67 D84 F85 P87 I91 L107I9-V65 HydrophobicContact CG1-CG1 4.3Å; I9-V65 HydrophobicContact CG1-CG2 4.36Å; I9-V65 HydrophobicContact CG2-CG2 4.35Å; V65-Y67 HydrophobicContact CG1-CD2 3.96Å; V65-Y67 HydrophobicContact CG1-CE2 3.46Å; V65-Y67 VanDerWaalsContact CG1-CE2 3.46Å; V65-D84 WeakPolarHBondContact O-CA 3.3Å; V65-F85 HydrophobicContact CB-CE1 4.28Å; V65-F85 HydrophobicContact CB-CZ 4.26Å; V65-F85 HydrophobicContact CG1-CE1 4.23Å; V65-F85 HydrophobicContact CG1-CZ 4.34Å; V65-F85 PolarHBondContact N-O 2.91Å; V65-F85 VanDerWaalsContact N-O 3.09Å; V65-F85 PolarHBondContact O-N 3.43Å; V65-F85 VanDerWaalsContact O-N 3.1Å; V65-P87 HydrophobicContact CG2-CG 4.42Å; V65-I91 HydrophobicContact CG2-CD1 3.91Å; V65-L107 HydrophobicContact CG1-CD1 4.22Å; V65-L107 HydrophobicContact CG2-CD2 4.14Å
66V94.9Very high90.1Very high0 Ų058.7 Ų58.70%032%0.316CS..EExtended strand (participates in β ladder)trans-130.7118.5178.5-171.80000109.4L8 V49 L64 I83 D84L8-V66 HydrophobicContact CB-CB 4.29Å; L8-V66 HydrophobicContact CD2-CB 4.45Å; L8-V66 PolarHBondContact N-O 3.42Å; L8-V66 PolarHBondContact O-N 2.95Å; V49-V66 HydrophobicContact CG1-CG1 4.16Å; V49-V66 HydrophobicContact CG2-CG1 4.15Å; L64-V66 HydrophobicContact CD2-CG2 4.08Å; L64-V66 HydrophobicContact CG-CG2 3.98Å; V66-I83 CarbonylContact C-O 3.59Å; V66-I83 WeakPolarHBondContact CA-O 3.49Å; V66-D84 HydrophobicContact CG1-CB 4.43Å; V66-D84 HydrophobicContact CG2-CB 4.15Å
67Y95.3Very high89.8Confident14 Ų1462.1 Ų62.16%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-109.4119.2170.3-68.8-61.8000109.4I6 V65 N82 I83 F85 F102 H103 T104 L107I6-Y67 WeakPolarHBondContact O-CA 3.49Å; V65-Y67 HydrophobicContact CG1-CD2 3.96Å; V65-Y67 HydrophobicContact CG1-CE2 3.46Å; V65-Y67 VanDerWaalsContact CG1-CE2 3.46Å; Y67-N82 CarbonylContact O-C 3.55Å; Y67-N82 WeakPolarHBondContact O-CA 3.27Å; Y67-I83 PolarHBondContact N-O 2.97Å; Y67-I83 PolarHBondContact O-N 3.01Å; Y67-F85 HydrophobicContact CD2-CE1 4.45Å; Y67-F85 HydrophobicContact CE2-CE1 4.48Å; Y67-F102 HydrophobicContact CD1-CB 3.95Å; Y67-F102 AromaticContact CD1-CD1 3.55Å; Y67-F102 HydrophobicContact CD1-CD1 3.55Å; Y67-F102 HydrophobicContact CD1-CE1 4.33Å; Y67-F102 AromaticContact CD1-CG 3.97Å; Y67-F102 HydrophobicContact CD1-CG 3.97Å; Y67-F102 HydrophobicContact CE1-CB 4.14Å; Y67-F102 HydrophobicContact CE1-CD1 4.46Å; Y67-F102 HydrophobicContact CG-CD1 4.1Å; Y67-F102 HydrophobicContact CG-CG 4.39Å; Y67-H103 VanDerWaalsContact CE1-O 3.32Å; Y67-H103 WeakPolarHBondContact CE1-O 3.32Å; Y67-H103 PolarHBondContact OH-O 3.01Å; Y67-T104 HydrophobicContact CE1-CG2 4.41Å; Y67-T104 HydrophobicContact CE2-CG2 4.18Å; Y67-T104 WeakPolarHBondContact OH-CA 3.39Å; Y67-T104 WeakPolarHBondContact OH-CG2 3.41Å; Y67-L107 HydrophobicContact CE2-CD1 3.9Å
68C93.5Very high89.4Confident4 Ų461.9 Ų61.93%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-137.1134.9179.6-171.70000111.9I6 S48 V49 V81I6-C68 PolarHBondContact N-O 3.21Å; I6-C68 PolarHBondContact O-N 3.37Å; S48-C68 VanDerWaalsContact CB-SG 3.54Å; V49-C68 HydrophobicContact CG2-CB 3.36Å; C68-V81 WeakPolarHBondContact CA-O 3.4Å
69G90.3Very high89Confident4 Ų459.8 Ų59.84%0.04132%0.317CS..EExtended strand (participates in β ladder)trans175.5-176.2177.300000112.5S4 V81S4-G69 WeakPolarHBondContact O-CA 3.15Å; G69-V81 PolarHBondContact N-O 2.8Å; G69-V81 PolarHBondContact O-N 3.46Å
70T87.1Confident88.6Confident28 Ų2866.3 Ų66.317%0.17234%0.343CS..EExtended strand (participates in β ladder)trans-110.5106.5176.144.30000109.4S4 M5 K79 K80S4-T70 PolarHBondContact OG-OG1 3.46Å; M5-T70 WeakPolarHBondContact CE-O 3.45Å; T70-K79 WeakPolarHBondContact CA-O 3.5Å; T70-K80 HydrophobicContact CG2-CG 3.59Å
71I87.4Confident88.4Confident58 Ų5866.6 Ų66.630%0.29735%0.345SS..EExtended strand (participates in β ladder)trans-92147.8175.565168.5000110.2M5 K79 V81 F102M5-I71 HydrophobicContact CE-CB 4.31Å; M5-I71 HydrophobicContact CE-CG2 3.6Å; M5-I71 HydrophobicContact SD-CG2 4.16Å; I71-K79 HydrophobicContact CG1-CB 4.4Å; I71-K79 PolarHBondContact N-O 2.97Å; I71-K79 PolarHBondContact O-N 2.92Å; I71-V81 HydrophobicContact CD1-CG2 3.58Å; I71-V81 HydrophobicContact CG1-CG2 3.61Å; I71-F102 HydrophobicContact CG2-CE2 3.96Å
72V85.4Confident88.5Confident99 Ų9964.2 Ų64.260%0.633%0.326SS*.EExtended strand (participates in β ladder)trans-93123.5169.6-175.40000106.8E78V72-E78 HydrophobicContact CG2-CG 4.41Å
73T83.4Confident88.7Confident47 Ų4766.4 Ų66.429%0.28834%0.338SS..PPolyproline II helixtrans-77164.5174.953.30000110.7E75 G76 K77 K79T73-E75 PolarHBondContact O-N 2.86Å; T73-E75 VanDerWaalsContact O-N 3.15Å; T73-G76 WeakPolarHBondContact O-CA 3.33Å; T73-G76 PolarHBondContact O-N 2.8Å; T73-K77 PolarHBondContact N-O 2.88Å; T73-K77 PolarHBondContact OG1-N 3.39Å; T73-K77 PolarHBondContact OG1-O 2.81Å; T73-K79 HydrophobicContact CG2-CB 4.23Å
74E82.1Confident88.8Confident209 Ų20968.4 Ų68.498%0.97735%0.348SS*.THydrogen-bonded Turntrans-57.2-28.5176.7-67.9-172.6157.800112.8G76E74-G76 PolarHBondContact O-N 3.48Å; E74-G76 VanDerWaalsContact O-N 3.14Å
75E82.8Confident88.7Confident143 Ų14372.1 Ų72.167%0.66836%0.364SS*.THydrogen-bonded Turntrans-72.13.7172.3-60.2-172.2177.800114.3T73 K77T73-E75 PolarHBondContact O-N 2.86Å; T73-E75 VanDerWaalsContact O-N 3.15Å; E75-K77 PolarHBondContact O-N 3.48Å; E75-K77 IonicContact OE2-NZ 3.89Å; E75-K77 PolarHBondContact OE2-NZ 2.93Å
76G82.1Confident88.7Confident54 Ų5476 Ų7656%0.55738%0.383SS*.SBendtrans71.96.2-177.200000114.7T73 E74T73-G76 WeakPolarHBondContact O-CA 3.33Å; T73-G76 PolarHBondContact O-N 2.8Å; E74-G76 PolarHBondContact O-N 3.48Å; E74-G76 VanDerWaalsContact O-N 3.14Å
77K86.8Confident88.4Confident133 Ų13376.2 Ų76.258%0.57838%0.384SS*.  trans-83.8133.6176.9-68.7175.3-172.71460111.1T73 E75 K79T73-K77 PolarHBondContact N-O 2.88Å; T73-K77 PolarHBondContact OG1-N 3.39Å; T73-K77 PolarHBondContact OG1-O 2.81Å; E75-K77 PolarHBondContact O-N 3.48Å; E75-K77 IonicContact OE2-NZ 3.89Å; E75-K77 PolarHBondContact OE2-NZ 2.93Å; K77-K79 PolarHBondContact O-N 3.15Å
78E83.3Confident88Confident155 Ų15581.4 Ų81.472%0.72441%0.407SS*.EExtended strand (participates in β ladder)trans-76.2118.5171.6-64.9-174.4171.400110.6V72V72-E78 HydrophobicContact CG2-CG 4.41Å
79K85.6Confident87.5Confident129 Ų12982.3 Ų82.356%0.56141%0.41SS*.EExtended strand (participates in β ladder)trans-115.5127176.6-172.1176.3179.1-179.20109.8T70 I71 T73 K77 V81T70-K79 WeakPolarHBondContact CA-O 3.5Å; I71-K79 HydrophobicContact CG1-CB 4.4Å; I71-K79 PolarHBondContact N-O 2.97Å; I71-K79 PolarHBondContact O-N 2.92Å; T73-K79 HydrophobicContact CG2-CB 4.23Å; K77-K79 PolarHBondContact O-N 3.15Å; K79-V81 PolarHBondContact O-N 3.39Å
80K85.3Confident87.2Confident157 Ų15783.6 Ų83.668%0.68342%0.418SS*.EExtended strand (participates in β ladder)trans-72.7123168.3-75.2-179.5179.9-177.20109.2T70T70-K80 HydrophobicContact CG2-CG 3.59Å
81V90.1Very high87.2Confident24 Ų2482.3 Ų82.315%0.14541%0.41CS..EExtended strand (participates in β ladder)trans-112.7135.4176.1174.50000108.4C68 G69 I71 K79 I83C68-V81 WeakPolarHBondContact CA-O 3.4Å; G69-V81 PolarHBondContact N-O 2.8Å; G69-V81 PolarHBondContact O-N 3.46Å; I71-V81 HydrophobicContact CD1-CG2 3.58Å; I71-V81 HydrophobicContact CG1-CG2 3.61Å; K79-V81 PolarHBondContact O-N 3.39Å; V81-I83 HydrophobicContact CG1-CD1 3.63Å; V81-I83 HydrophobicContact CG1-CG1 3.73Å
82N90.9Very high87Confident51 Ų5184.7 Ų84.727%0.27342%0.423SS..EExtended strand (participates in β ladder)trans-144.9107.9175.1-163.7-8.2000107S48 R52 Y67S48-N82 PolarHBondContact O-ND2 2.83Å; R52-N82 WeakPolarHBondContact CG-ND2 3.45Å; Y67-N82 CarbonylContact O-C 3.55Å; Y67-N82 WeakPolarHBondContact O-CA 3.27Å
83I94.1Very high87Confident86 Ų8682.4 Ų82.444%0.44141%0.409SS..EExtended strand (participates in β ladder)trans-120.9116.4-176.5-62.6168.3000106.1V66 Y67 V81 F85V66-I83 CarbonylContact C-O 3.59Å; V66-I83 WeakPolarHBondContact CA-O 3.49Å; Y67-I83 PolarHBondContact N-O 2.97Å; Y67-I83 PolarHBondContact O-N 3.01Å; V81-I83 HydrophobicContact CG1-CD1 3.63Å; V81-I83 HydrophobicContact CG1-CG1 3.73Å; I83-F85 HydrophobicContact CG2-CD1 3.88Å; I83-F85 HydrophobicContact CG2-CE1 4.22Å
84D93.9Very high87.3Confident41 Ų4184 Ų8422%0.21942%0.422CS..EExtended strand (participates in β ladder)trans-123.3130.6173.260.5-75.4000109.4R52 Y56 V65 V66R52-D84 VanDerWaalsContact CD-OD1 3.23Å; R52-D84 WeakPolarHBondContact CD-OD1 3.17Å; Y56-D84 VanDerWaalsContact CE2-OD2 3.28Å; Y56-D84 WeakPolarHBondContact CE2-OD2 3.48Å; Y56-D84 PolarHBondContact OH-OD2 3.29Å; V65-D84 WeakPolarHBondContact O-CA 3.3Å; V66-D84 HydrophobicContact CG1-CB 4.43Å; V66-D84 HydrophobicContact CG2-CB 4.15Å
85F94.5Very high87.8Confident78 Ų7876.2 Ų76.234%0.34239%0.387SS..EExtended strand (participates in β ladder)trans-153.9154.3177.365.8-81.4000111.6V65 Y67 I83 L107V65-F85 HydrophobicContact CB-CE1 4.28Å; V65-F85 HydrophobicContact CB-CZ 4.26Å; V65-F85 HydrophobicContact CG1-CE1 4.23Å; V65-F85 HydrophobicContact CG1-CZ 4.34Å; V65-F85 PolarHBondContact N-O 2.91Å; V65-F85 VanDerWaalsContact N-O 3.09Å; V65-F85 PolarHBondContact O-N 3.43Å; V65-F85 VanDerWaalsContact O-N 3.1Å; Y67-F85 HydrophobicContact CD2-CE1 4.45Å; Y67-F85 HydrophobicContact CE2-CE1 4.48Å; I83-F85 HydrophobicContact CG2-CD1 3.88Å; I83-F85 HydrophobicContact CG2-CE1 4.22Å; F85-L107 HydrophobicContact CZ-CD1 3.75Å
86E93.3Very high88.4Confident83 Ų8371.7 Ų71.739%0.38836%0.364SS..  trans-83124.1167177.6170.4-161.300108.9P60 P61 N62P60-E86 HydrophobicContact CB-CB 4.23Å; P60-E86 HydrophobicContact CB-CG 3.85Å; P60-E86 VanDerWaalsContact CB-OE1 3.24Å; P60-E86 WeakPolarHBondContact CB-OE1 3.39Å; P60-E86 WeakPolarHBondContact CB-OE2 3.43Å; P60-E86 HydrophobicContact CG-CB 4.41Å; P61-E86 WeakPolarHBondContact CD-OE1 3.44Å; P61-E86 VanDerWaalsContact CG-OE1 3.3Å; P61-E86 WeakPolarHBondContact CG-OE1 3.34Å; N62-E86 HydrophobicContact CB-CG 3.8Å; N62-E86 WeakPolarHBondContact CB-OE1 3.27Å; N62-E86 PolarHBondContact N-OE1 2.76Å
87P90.3Very high88.8Confident3 Ų372.6 Ų72.62%0.01936%0.356CS..  trans-66.8154.2176.727-31.6000111.2N62 V65 K89 I91 L107N62-P87 HydrophobicContact CB-CG 4.32Å; N62-P87 WeakPolarHBondContact CB-O 3.46Å; N62-P87 PolarHBondContact ND2-O 3.3Å; V65-P87 HydrophobicContact CG2-CG 4.42Å; P87-K89 PolarHBondContact O-N 3.2Å; P87-I91 HydrophobicContact CB-CG2 4.1Å; P87-I91 HydrophobicContact CG-CB 4.49Å; P87-I91 HydrophobicContact CG-CD1 4.2Å; P87-I91 HydrophobicContact CG-CG1 3.92Å; P87-I91 HydrophobicContact CG-CG2 3.66Å; P87-L107 HydrophobicContact CB-CD2 4.39Å
88F85.7Confident89Confident123 Ų12368.4 Ų68.454%0.53934%0.343SS..SBendtrans-67.4-19.9-178.172.5-74.2000114.1N62 L111N62-F88 PolarHBondContact ND2-O 2.84Å; F88-L111 HydrophobicContact CD1-CD2 4.48Å; F88-L111 HydrophobicContact CE1-CD2 3.47Å; F88-L111 VanDerWaalsContact CE1-CD2 3.47Å; F88-L111 HydrophobicContact CE1-CG 4.17Å; F88-L111 HydrophobicContact CZ-CD2 3.64Å; F88-L111 HydrophobicContact CZ-CG 4.42Å
89K83.1Confident89.3Confident24 Ų2463.5 Ų63.510%0.10432%0.322CS..SBendtrans-125.7151.6176.1-76.4172.8-177.3167.40110.7P87 I91 L110 D113 D114P87-K89 PolarHBondContact O-N 3.2Å; K89-I91 WeakPolarHBondContact O-CG2 3.11Å; K89-L110 PolarHBondContact NZ-O 3.28Å; K89-L110 VanDerWaalsContact NZ-O 3.09Å; K89-D113 PolarHBondContact NZ-O 3.41Å; K89-D114 IonicContact NZ-OD1 3.82Å; K89-D114 PolarHBondContact NZ-OD1 2.95Å
90P85.4Confident89.5Confident30 Ų3062.2 Ų62.220%0.19532%0.321CS..  trans-58.1136.6173.3-20.830.2000113P12 N62 T136P12-P90 HydrophobicContact CG-CB 4.33Å; N62-P90 CarbonylContact O-C 3.6Å; N62-P90 VanDerWaalsContact O-CA 3.29Å; N62-P90 WeakPolarHBondContact O-CA 3.46Å; N62-P90 WeakPolarHBondContact OD1-CG 3.46Å; P90-T136 HydrophobicContact CB-CG2 4.2Å; P90-T136 WeakPolarHBondContact O-CG2 3.28Å
91I85.6Confident89.7Confident1 Ų160.2 Ų60.21%0.00531%0.312CS..  trans-114.6112.6-176.953.7151.7000112.1I9 P11 P12 N62 V65 P87 K89 T93 L110I9-I91 HydrophobicContact CG2-CD1 3.24Å; P11-I91 VanDerWaalsContact CA-O 3.23Å; P11-I91 WeakPolarHBondContact CA-O 3.38Å; P11-I91 VanDerWaalsContact CB-O 3.31Å; P11-I91 WeakPolarHBondContact CB-O 3.35Å; P12-I91 WeakPolarHBondContact CD-O 3.43Å; N62-I91 WeakPolarHBondContact O-CG1 3.38Å; N62-I91 PolarHBondContact O-N 3.39Å; V65-I91 HydrophobicContact CG2-CD1 3.91Å; P87-I91 HydrophobicContact CB-CG2 4.1Å; P87-I91 HydrophobicContact CG-CB 4.49Å; P87-I91 HydrophobicContact CG-CD1 4.2Å; P87-I91 HydrophobicContact CG-CG1 3.92Å; P87-I91 HydrophobicContact CG-CG2 3.66Å; K89-I91 WeakPolarHBondContact O-CG2 3.11Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 2.89Å; I91-L110 HydrophobicContact CB-CD1 4.2Å; I91-L110 HydrophobicContact CG2-CD1 3.14Å; I91-L110 HydrophobicContact CG2-CD2 4.34Å; I91-L110 HydrophobicContact CG2-CG 4.36Å
92N83.5Confident89.8Confident109 Ų10961.6 Ų61.658%0.58332%0.317SS*.  trans-87.41.4-177.1-161.929.7000114.1T136N92-T136 HydrophobicContact CB-CG2 4.43Å
93T85.7Confident89.8Confident50 Ų5060.3 Ų60.331%0.30731%0.309SS..  trans-91.7138.7-179.249.70000110.6I9 I91I9-T93 WeakPolarHBondContact CG2-O 3.43Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 2.89Å
94S90.3Very high89.6Confident80 Ų8059.2 Ų59.256%0.55931%0.306SS*.  trans-109.3125.9168.5-173.60000107.8I9I9-S94 WeakPolarHBondContact O-CA 3.46Å
95L92.6Very high89.3Confident46 Ų4662 Ų6224%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-136.3133.2-179.1-170.174.4000109.5L8 I9 L97 H103L8-L95 CarbonylContact C-O 3.6Å; L8-L95 WeakPolarHBondContact CA-O 3.12Å; I9-L95 HydrophobicContact CB-CB 3.81Å; I9-L95 HydrophobicContact CD1-CB 4.02Å; I9-L95 HydrophobicContact CD1-CD2 3.85Å; I9-L95 HydrophobicContact CG1-CB 3.99Å; I9-L95 HydrophobicContact CG1-CD2 4.33Å; I9-L95 PolarHBondContact N-O 3.28Å; I9-L95 PolarHBondContact O-N 3.38Å; L95-L97 HydrophobicContact CD1-CD1 3.75Å; L95-L97 HydrophobicContact CD1-CG 3.99Å; L95-L97 HydrophobicContact CD2-CD1 4.3Å; L95-L97 HydrophobicContact CG-CD1 4.19Å; L95-L97 HydrophobicContact CG-CG 4.21Å; L95-H103 HydrophobicContact CD2-CB 4.12Å
96Y93.8Very high88.7Confident48 Ų4859.4 Ų59.419%0.18831%0.311CS..EExtended strand (participates in β ladder)trans-136.8113.7164.7171.9-102.6000107.5I6 S7 L8 M22 L23 E26 C98I6-Y96 HydrophobicContact CG2-CD2 4.26Å; I6-Y96 HydrophobicContact CG2-CE2 3.89Å; S7-Y96 WeakPolarHBondContact O-CA 3.31Å; L8-Y96 HydrophobicContact CD1-CD2 4.06Å; M22-Y96 HydrophobicContact SD-CG 4.3Å; L23-Y96 HydrophobicContact CD2-CD2 4.28Å; L23-Y96 HydrophobicContact CD2-CE2 3.63Å; E26-Y96 HydrophobicContact CB-CE1 4.44Å; E26-Y96 WeakPolarHBondContact CB-OH 3.24Å; E26-Y96 HydrophobicContact CG-CE1 3.61Å; E26-Y96 WeakPolarHBondContact CG-OH 3.21Å; Y96-C98 PolarHBondContact OH-SG 3.02Å
97L92.1Very high88.4Confident73 Ų7356.7 Ų56.738%0.38230%0.299SS..EExtended strand (participates in β ladder)trans-138.4138.1179-73.1176.9000110.6I6 S7 L95 H103I6-L97 WeakPolarHBondContact CA-O 3.18Å; S7-L97 PolarHBondContact N-O 2.93Å; S7-L97 PolarHBondContact O-N 2.87Å; L95-L97 HydrophobicContact CD1-CD1 3.75Å; L95-L97 HydrophobicContact CD1-CG 3.99Å; L95-L97 HydrophobicContact CD2-CD1 4.3Å; L95-L97 HydrophobicContact CG-CD1 4.19Å; L95-L97 HydrophobicContact CG-CG 4.21Å; L97-H103 HydrophobicContact CD1-CB 4.45Å
98C90.3Very high88Confident46 Ų4660.5 Ų60.531%0.31132%0.322SS..EExtended strand (participates in β ladder)trans-114.4105.7171.9-66.40000108.5M5 Y96M5-C98 CarbonylContact O-C 3.57Å; M5-C98 VanDerWaalsContact O-CA 3.27Å; M5-C98 WeakPolarHBondContact O-CA 3.27Å; Y96-C98 PolarHBondContact OH-SG 3.02Å
99D90.3Very high87.5Confident51 Ų5156.7 Ų56.727%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-136.1-173.4-179-156.9-0.1000111.5T3 S4 M5 K101 H103T3-D99 CarbonylContact C-O 3.57Å; T3-D99 WeakPolarHBondContact CA-O 3.47Å; S4-D99 PolarHBondContact N-O 2.9Å; M5-D99 VanDerWaalsContact CB-O 3.27Å; M5-D99 WeakPolarHBondContact CB-O 3.3Å; M5-D99 PolarHBondContact N-O 3.15Å; M5-D99 PolarHBondContact O-N 2.7Å; D99-K101 VanDerWaalsContact C-N 3.32Å; D99-H103 IonicContact OD2-NE2 2.94Å; D99-H103 PolarHBondContact OD2-NE2 3.48Å
100N88.6Confident87.1Confident102 Ų10256.9 Ų56.955%0.54532%0.316SS..SBendtrans-79.9-11.817565.5-2.5000113.6
101K89.2Confident86.7Confident115 Ų11560.6 Ų60.650%0.533%0.333SS..SBendtrans-133.7162179.264.8179.8-179.31720111D99D99-K101 VanDerWaalsContact C-N 3.32Å
102F92.3Very high85.8Confident54 Ų5463.7 Ų63.724%0.23736%0.355CS..  trans-81.7135.5171-66-61.3000110.6M5 Y67 I71M5-F102 HydrophobicContact CB-CD1 3.92Å; M5-F102 HydrophobicContact CB-CE1 3.76Å; M5-F102 HydrophobicContact CB-CZ 4.26Å; M5-F102 HydrophobicContact CG-CE1 4.39Å; M5-F102 HydrophobicContact CG-CZ 4.41Å; M5-F102 HydrophobicContact SD-CE1 4.18Å; M5-F102 HydrophobicContact SD-CE2 4.11Å; M5-F102 HydrophobicContact SD-CZ 3.71Å; Y67-F102 HydrophobicContact CD1-CB 3.95Å; Y67-F102 AromaticContact CD1-CD1 3.55Å; Y67-F102 HydrophobicContact CD1-CD1 3.55Å; Y67-F102 HydrophobicContact CD1-CE1 4.33Å; Y67-F102 AromaticContact CD1-CG 3.97Å; Y67-F102 HydrophobicContact CD1-CG 3.97Å; Y67-F102 HydrophobicContact CE1-CB 4.14Å; Y67-F102 HydrophobicContact CE1-CD1 4.46Å; Y67-F102 HydrophobicContact CG-CD1 4.1Å; Y67-F102 HydrophobicContact CG-CG 4.39Å; I71-F102 HydrophobicContact CG2-CE2 3.96Å
103H91.4Very high85Confident23 Ų2362.3 Ų62.311%0.10635%0.348CS..  trans-93.7103177.7-75.7-73.4000109.6S7 Y67 L95 L97 D99 E105S7-H103 PolarHBondContact OG-N 3.28Å; Y67-H103 VanDerWaalsContact CE1-O 3.32Å; Y67-H103 WeakPolarHBondContact CE1-O 3.32Å; Y67-H103 PolarHBondContact OH-O 3.01Å; L95-H103 HydrophobicContact CD2-CB 4.12Å; L97-H103 HydrophobicContact CD1-CB 4.45Å; D99-H103 IonicContact OD2-NE2 2.94Å; D99-H103 PolarHBondContact OD2-NE2 3.48Å; H103-E105 WeakPolarHBondContact CA-OE2 3.38Å; H103-E105 WeakPolarHBondContact CB-OE2 3.42Å; H103-E105 IonicContact CE1-OE1 3.5Å; H103-E105 IonicContact CG-OE1 2.59Å; H103-E105 IonicContact CG-OE2 3.68Å; H103-E105 IonicContact ND1-OE1 2.69Å; H103-E105 PolarHBondContact ND1-OE1 3.46Å; H103-E105 IonicContact ND1-OE2 3.41Å; H103-E105 PolarHBondContact ND1-OE2 2.8Å
104T90Very high84.2Confident63 Ų6364.9 Ų64.939%0.38736%0.359SS..  trans-106.35.6179.855.40000112.8Y67 A106 L107 T108Y67-T104 HydrophobicContact CE1-CG2 4.41Å; Y67-T104 HydrophobicContact CE2-CG2 4.18Å; Y67-T104 WeakPolarHBondContact OH-CA 3.39Å; Y67-T104 WeakPolarHBondContact OH-CG2 3.41Å; T104-A106 PolarHBondContact O-N 3.07Å; T104-A106 VanDerWaalsContact O-N 3.16Å; T104-L107 WeakPolarHBondContact O-CA 3.38Å; T104-L107 WeakPolarHBondContact O-CB 3.49Å; T104-L107 PolarHBondContact O-N 3.02Å; T104-T108 PolarHBondContact O-N 2.85Å; T104-T108 PolarHBondContact O-OG1 3.35Å
105E86.9Confident83.8Confident100 Ų10063.3 Ų63.347%0.46735%0.348SS..Hα-helixtrans-58-38-173.2-58.386.3168.200111.8H103 L107 T108 A109H103-E105 WeakPolarHBondContact CA-OE2 3.38Å; H103-E105 WeakPolarHBondContact CB-OE2 3.42Å; H103-E105 IonicContact CE1-OE1 3.5Å; H103-E105 IonicContact CG-OE1 2.59Å; H103-E105 IonicContact CG-OE2 3.68Å; H103-E105 IonicContact ND1-OE1 2.69Å; H103-E105 PolarHBondContact ND1-OE1 3.46Å; H103-E105 IonicContact ND1-OE2 3.41Å; H103-E105 PolarHBondContact ND1-OE2 2.8Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.37Å; E105-T108 PolarHBondContact O-N 2.7Å; E105-A109 PolarHBondContact O-N 3.21Å; E105-A109 VanDerWaalsContact O-N 3.09Å
106A83.6Confident83.6Confident23 Ų2364 Ų6419%0.1935%0.349CS..Hα-helixtrans-65-34.3176.100000113I9 T104 L110I9-A106 HydrophobicContact CD1-CB 3.59Å; T104-A106 PolarHBondContact O-N 3.07Å; T104-A106 VanDerWaalsContact O-N 3.16Å; A106-L110 VanDerWaalsContact O-CD1 3.23Å; A106-L110 WeakPolarHBondContact O-CD1 3.26Å; A106-L110 VanDerWaalsContact O-CG 3.31Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å
107L85.1Confident83.6Confident27 Ų2762.6 Ų62.614%0.14135%0.345CS..Hα-helixtrans-76.6-41.8177-72.9178.1000111.8V65 Y67 F85 P87 T104 E105 A109 L110 L111V65-L107 HydrophobicContact CG1-CD1 4.22Å; V65-L107 HydrophobicContact CG2-CD2 4.14Å; Y67-L107 HydrophobicContact CE2-CD1 3.9Å; F85-L107 HydrophobicContact CZ-CD1 3.75Å; P87-L107 HydrophobicContact CB-CD2 4.39Å; T104-L107 WeakPolarHBondContact O-CA 3.38Å; T104-L107 WeakPolarHBondContact O-CB 3.49Å; T104-L107 PolarHBondContact O-N 3.02Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.37Å; L107-A109 VanDerWaalsContact C-N 3.27Å; L107-A109 PolarHBondContact O-N 2.91Å; L107-L110 HydrophobicContact CD2-CD1 4.24Å; L107-L110 WeakPolarHBondContact O-CB 3.39Å; L107-L110 PolarHBondContact O-N 3.34Å; L107-L110 VanDerWaalsContact O-N 3.1Å; L107-L111 PolarHBondContact O-N 2.87Å; L107-L111 VanDerWaalsContact O-N 3.1Å
108T82.9Confident83.7Confident82 Ų8259.1 Ų59.150%0.50333%0.326SS..Hα-helixtrans-59.3-41.4176.9-49.30000110.9T104 E105 L110 L111 S112T104-T108 PolarHBondContact O-N 2.85Å; T104-T108 PolarHBondContact O-OG1 3.35Å; E105-T108 PolarHBondContact O-N 2.7Å; T108-L110 VanDerWaalsContact C-N 3.32Å; T108-L110 PolarHBondContact O-N 2.89Å; T108-L111 PolarHBondContact O-N 3.05Å; T108-S112 PolarHBondContact O-N 3.08Å; T108-S112 PolarHBondContact O-OG 3.16Å
109A74.8Confident84Confident44 Ų4457 Ų5736%0.36431%0.312SS..Hα-helixtrans-59.8-39.7175.200000112.8E105 L107 L111 S112 D113E105-A109 PolarHBondContact O-N 3.21Å; E105-A109 VanDerWaalsContact O-N 3.09Å; L107-A109 VanDerWaalsContact C-N 3.27Å; L107-A109 PolarHBondContact O-N 2.91Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 3.29Å; A109-S112 WeakPolarHBondContact CA-OG 3.43Å; A109-S112 PolarHBondContact O-N 2.82Å; A109-S112 PolarHBondContact O-OG 2.82Å; A109-D113 PolarHBondContact O-N 3.44Å; A109-D113 VanDerWaalsContact O-N 3.16Å
110L75.5Confident84.3Confident28 Ų2854.5 Ų54.515%0.14730%0.299CS..Hα-helixtrans-71.2-29179.4-68.6158.4000113.7K89 I91 A106 L107 T108K89-L110 PolarHBondContact NZ-O 3.28Å; K89-L110 VanDerWaalsContact NZ-O 3.09Å; I91-L110 HydrophobicContact CB-CD1 4.2Å; I91-L110 HydrophobicContact CG2-CD1 3.14Å; I91-L110 HydrophobicContact CG2-CD2 4.34Å; I91-L110 HydrophobicContact CG2-CG 4.36Å; A106-L110 VanDerWaalsContact O-CD1 3.23Å; A106-L110 WeakPolarHBondContact O-CD1 3.26Å; A106-L110 VanDerWaalsContact O-CG 3.31Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å; L107-L110 HydrophobicContact CD2-CD1 4.24Å; L107-L110 WeakPolarHBondContact O-CB 3.39Å; L107-L110 PolarHBondContact O-N 3.34Å; L107-L110 VanDerWaalsContact O-N 3.1Å; T108-L110 VanDerWaalsContact C-N 3.32Å; T108-L110 PolarHBondContact O-N 2.89Å
111L75.4Confident84.7Confident108 Ų10849.7 Ų49.757%0.56527%0.273SS*.Hα-helixtrans-74.1-32.6172.7-69.9166.4000111.2F88 L107 T108 A109F88-L111 HydrophobicContact CD1-CD2 4.48Å; F88-L111 HydrophobicContact CE1-CD2 3.47Å; F88-L111 VanDerWaalsContact CE1-CD2 3.47Å; F88-L111 HydrophobicContact CE1-CG 4.17Å; F88-L111 HydrophobicContact CZ-CD2 3.64Å; F88-L111 HydrophobicContact CZ-CG 4.42Å; L107-L111 PolarHBondContact O-N 2.87Å; L107-L111 VanDerWaalsContact O-N 3.1Å; T108-L111 PolarHBondContact O-N 3.05Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 3.29Å
112S68.2Low84.9Confident66 Ų6644.2 Ų44.246%0.46225%0.249SC..Hα-helixtrans-77.1-28.2179.264.40000114.4T108 A109T108-S112 PolarHBondContact O-N 3.08Å; T108-S112 PolarHBondContact O-OG 3.16Å; A109-S112 WeakPolarHBondContact CA-OG 3.43Å; A109-S112 PolarHBondContact O-N 2.82Å; A109-S112 PolarHBondContact O-OG 2.82Å
113D65.4Low84.9Confident80 Ų8043.1 Ų43.143%0.42825%0.245SC..  trans-101.383.3-176.9-76.4-22.4000112.3K89 A109K89-D113 PolarHBondContact NZ-O 3.41Å; A109-D113 PolarHBondContact O-N 3.44Å; A109-D113 VanDerWaalsContact O-N 3.16Å
114D69.6Low84.8Confident103 Ų10343.3 Ų43.355%0.55125%0.254SS*.  trans-87.7-21.7174.2-79.5-23.1000113.9K89 K116 Q133K89-D114 IonicContact NZ-OD1 3.82Å; K89-D114 PolarHBondContact NZ-OD1 2.95Å; D114-K116 PolarHBondContact O-N 3.28Å; D114-K116 VanDerWaalsContact O-N 3.16Å; D114-Q133 PolarHBondContact O-NE2 2.87Å; D114-Q133 VanDerWaalsContact O-NE2 3.13Å
115S82.1Confident84.8Confident47 Ų4743.6 Ų43.633%0.32926%0.258SS..  trans-70.1113.7-171.9-71.60000112.3
116K88.3Confident85Confident60 Ų6039.2 Ų39.226%0.26124%0.24SC..EExtended strand (participates in β ladder)trans-88124.8172.5-166.5171.3-172.7167.90109.9D114 T131 E138 V192 A193D114-K116 PolarHBondContact O-N 3.28Å; D114-K116 VanDerWaalsContact O-N 3.16Å; K116-T131 HydrophobicContact CD-CG2 4.45Å; K116-T131 WeakPolarHBondContact CE-OG1 3.38Å; K116-T131 HydrophobicContact CG-CG2 4.4Å; K116-E138 IonicContact NZ-OE2 2.79Å; K116-V192 HydrophobicContact CG-CG1 4.3Å; K116-V192 CarbonylContact O-C 3.56Å; K116-V192 VanDerWaalsContact O-CA 3.28Å; K116-V192 WeakPolarHBondContact O-CA 3.44Å; K116-V192 WeakPolarHBondContact O-CB 3.33Å; K116-A193 PolarHBondContact O-N 2.8Å
117F93.3Very high85.6Confident20 Ų2038.3 Ų38.39%0.08823%0.232CC..EExtended strand (participates in β ladder)trans-108.4139.9176.5-64-73.3000111F119 T131 L132 A193 G194 L222 L246 V249F117-F119 HydrophobicContact CB-CE2 4.28Å; F117-T131 CarbonylContact O-C 3.59Å; F117-T131 WeakPolarHBondContact O-CA 3.24Å; F117-L132 PolarHBondContact N-O 3.26Å; F117-L132 PolarHBondContact O-N 3.07Å; F117-A193 HydrophobicContact CD1-CB 4.38Å; F117-A193 HydrophobicContact CE1-CB 4.03Å; F117-G194 WeakPolarHBondContact CA-O 3.36Å; F117-L222 HydrophobicContact CD1-CD1 4.29Å; F117-L222 HydrophobicContact CE1-CD1 4.18Å; F117-L246 HydrophobicContact CB-CD2 4.13Å; F117-L246 HydrophobicContact CD1-CD2 3.55Å; F117-L246 HydrophobicContact CD2-CD1 4.46Å; F117-L246 HydrophobicContact CD2-CD2 3.97Å; F117-L246 HydrophobicContact CE1-CD2 3.86Å; F117-L246 HydrophobicContact CE2-CB 4.28Å; F117-L246 HydrophobicContact CE2-CD2 4.23Å; F117-L246 HydrophobicContact CG-CD2 3.61Å; F117-L246 HydrophobicContact CZ-CB 4.47Å; F117-L246 HydrophobicContact CZ-CD2 4.18Å; F117-V249 HydrophobicContact CE1-CB 4.17Å; F117-V249 HydrophobicContact CE1-CG1 4.17Å; F117-V249 HydrophobicContact CE1-CG2 3.87Å; F117-V249 HydrophobicContact CZ-CB 4.08Å; F117-V249 HydrophobicContact CZ-CG1 4.35Å; F117-V249 HydrophobicContact CZ-CG2 4.11Å
118G95.2Very high86.1Confident0 Ų037.1 Ų37.10%023%0.226CC..EExtended strand (participates in β ladder)trans-95.6145176.300000111.6G194 L195 V196G118-G194 PolarHBondContact N-O 3.24Å; G118-L195 CarbonylContact O-C 3.45Å; G118-L195 WeakPolarHBondContact O-CA 3.49Å; G118-V196 PolarHBondContact O-N 2.9Å
119F96.5Very high86.8Confident0 Ų033.2 Ų33.20%020%0.202CC..EExtended strand (participates in β ladder)trans-127.5129.6174.1-75.2-104000109.8F117 F129 G130 L132 V196 F235 A238 I239 L246F117-F119 HydrophobicContact CB-CE2 4.28Å; F119-F129 WeakPolarHBondContact O-CA 3.29Å; F119-G130 PolarHBondContact N-O 2.98Å; F119-G130 PolarHBondContact O-N 3.04Å; F119-L132 HydrophobicContact CD2-CB 4.14Å; F119-L132 HydrophobicContact CE2-CB 3.57Å; F119-L132 HydrophobicContact CE2-CD2 3.97Å; F119-L132 HydrophobicContact CE2-CG 4.43Å; F119-L132 HydrophobicContact CZ-CD2 4.17Å; F119-V196 WeakPolarHBondContact CA-O 3.32Å; F119-V196 HydrophobicContact CD1-CB 3.82Å; F119-V196 HydrophobicContact CD1-CG1 4.04Å; F119-V196 HydrophobicContact CE1-CB 3.88Å; F119-V196 HydrophobicContact CE1-CG1 3.98Å; F119-V196 HydrophobicContact CE1-CG2 4.13Å; F119-V196 HydrophobicContact CG-CB 4.35Å; F119-V196 HydrophobicContact CZ-CB 4.45Å; F119-V196 HydrophobicContact CZ-CG2 4.28Å; F119-F235 HydrophobicContact CB-CD2 3.82Å; F119-F235 HydrophobicContact CB-CE2 3.42Å; F119-F235 VanDerWaalsContact CB-CE2 3.42Å; F119-F235 HydrophobicContact CB-CZ 4.47Å; F119-F235 HydrophobicContact CD1-CD2 4.17Å; F119-F235 HydrophobicContact CD1-CE2 4Å; F119-F235 AromaticContact CD2-CE2 3.75Å; F119-F235 HydrophobicContact CD2-CE2 3.75Å; F119-F235 HydrophobicContact CE2-CE2 4.48Å; F119-F235 HydrophobicContact CG-CD2 4Å; F119-F235 AromaticContact CG-CE2 3.47Å; F119-F235 HydrophobicContact CG-CE2 3.47Å; F119-F235 VanDerWaalsContact CG-CE2 3.47Å; F119-A238 HydrophobicContact CD1-CB 4.12Å; F119-A238 HydrophobicContact CE1-CB 4.19Å; F119-I239 HydrophobicContact CE1-CG1 3.92Å; F119-I239 HydrophobicContact CE2-CG1 4.22Å; F119-I239 HydrophobicContact CZ-CB 4.41Å; F119-I239 HydrophobicContact CZ-CG1 3.73Å; F119-L246 HydrophobicContact CE2-CD1 4.36Å; F119-L246 HydrophobicContact CZ-CD1 3.89Å
120I96.3Very high87.8Confident0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans-115109.3169.5-57.5179.5000106.9F129 V176 A180 F184 L195 V196 L197 A198 L207 F213I120-F129 HydrophobicContact CD1-CD1 4.32Å; I120-F129 HydrophobicContact CD1-CE1 4.06Å; I120-F129 HydrophobicContact CG1-CD1 3.88Å; I120-F129 HydrophobicContact CG1-CE1 4Å; I120-F129 HydrophobicContact CG2-CD1 4.33Å; I120-F129 HydrophobicContact CG2-CE1 3.92Å; I120-F129 HydrophobicContact CG2-CZ 4.45Å; I120-V176 HydrophobicContact CG2-CG1 3.9Å; I120-A180 HydrophobicContact CD1-CB 3.65Å; I120-F184 HydrophobicContact CD1-CD2 4.38Å; I120-F184 HydrophobicContact CD1-CE2 3.97Å; I120-F184 HydrophobicContact CG1-CE2 3.66Å; I120-F184 HydrophobicContact CG1-CZ 4.42Å; I120-L195 HydrophobicContact CD1-CD1 4.21Å; I120-L195 HydrophobicContact CD1-CD2 3.93Å; I120-L195 HydrophobicContact CD1-CG 4.45Å; I120-L195 HydrophobicContact CG1-CD1 4.14Å; I120-V196 PolarHBondContact N-O 2.79Å; I120-L197 HydrophobicContact CB-CD2 3.75Å; I120-L197 HydrophobicContact CD1-CD2 3.75Å; I120-L197 HydrophobicContact CG1-CD2 4.05Å; I120-L197 HydrophobicContact CG2-CD2 4.45Å; I120-A198 PolarHBondContact O-N 2.83Å; I120-L207 HydrophobicContact CG2-CD2 4.23Å; I120-F213 HydrophobicContact CD1-CE2 4.38Å; I120-F213 HydrophobicContact CD1-CZ 4.44Å
121V96.1Very high88.7Confident1 Ų129.9 Ų29.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-96.1105.7173.5-178.80000108.2A127 L128 A198 I227 F235V121-A127 CarbonylContact O-C 3.54Å; V121-A127 VanDerWaalsContact O-CA 3.27Å; V121-A127 WeakPolarHBondContact O-CA 3.44Å; V121-L128 HydrophobicContact CB-CB 4.25Å; V121-L128 HydrophobicContact CG2-CD2 4.43Å; V121-L128 PolarHBondContact N-O 3.32Å; V121-L128 PolarHBondContact O-N 3.21Å; V121-A198 CarbonylContact C-O 3.57Å; V121-A198 VanDerWaalsContact CA-O 3.28Å; V121-A198 WeakPolarHBondContact CA-O 3.47Å; V121-A198 HydrophobicContact CG2-CB 4.29Å; V121-I227 HydrophobicContact CG1-CD1 3.57Å; V121-F235 HydrophobicContact CG2-CB 4.01Å; V121-F235 HydrophobicContact CG2-CD2 4.28Å
122I94.1Very high89.4Confident0 Ų025.6 Ų25.60%016%0.156CC..EExtended strand (participates in β ladder)trans-102.2123.7177.6-168.9167.8000110.3Y172 V176 A198 G199 F203 K204I122-Y172 HydrophobicContact CD1-CE1 3.93Å; I122-Y172 HydrophobicContact CG1-CE1 3.79Å; I122-V176 HydrophobicContact CD1-CG1 4.34Å; I122-V176 HydrophobicContact CD1-CG2 4.25Å; I122-A198 PolarHBondContact N-O 3.43Å; I122-G199 WeakPolarHBondContact O-CA 3.27Å; I122-F203 HydrophobicContact CD1-CB 4.05Å; I122-F203 HydrophobicContact CG1-CB 4.18Å; I122-F203 HydrophobicContact CG2-CB 4.12Å; I122-K204 HydrophobicContact CG2-CB 3.92Å
123D92.1Very high90.2Very high30 Ų3024.4 Ų24.416%0.1614%0.144CC..EExtended strand (participates in β ladder)trans-131.2164173.1-175.339.3000110.4S125 G126 Y172 S200D123-S125 PolarHBondContact O-N 3.14Å; D123-S125 PolarHBondContact OD2-N 3.35Å; D123-S125 PolarHBondContact OD2-OG 3.16Å; D123-G126 CarbonylContact C-O 3.58Å; D123-G126 WeakPolarHBondContact CA-O 3.41Å; D123-G126 PolarHBondContact N-O 3.47Å; D123-G126 PolarHBondContact O-N 3.06Å; D123-G126 VanDerWaalsContact O-O 3.07Å; D123-Y172 WeakPolarHBondContact O-CE1 3.13Å; D123-Y172 PolarHBondContact O-OH 3.08Å; D123-S200 PolarHBondContact OD1-OG 2.95Å
124G88.9Confident90.8Very high27 Ų2721.9 Ų21.928%0.27814%0.136SC..THydrogen-bonded Turntrans-65.8-17.3176.300000114.1
125S89.7Confident91Very high69 Ų6922.4 Ų22.448%0.48314%0.139SC..THydrogen-bonded Turntrans-96.2-13.1179670000114.1D123 T144 V145D123-S125 PolarHBondContact O-N 3.14Å; D123-S125 PolarHBondContact OD2-N 3.35Å; D123-S125 PolarHBondContact OD2-OG 3.16Å; S125-T144 WeakPolarHBondContact O-CA 3.48Å; S125-V145 CarbonylContact C-O 3.51Å; S125-V145 PolarHBondContact O-N 3.38Å
126G92.8Very high90.9Very high9 Ų921 Ų219%0.09313%0.128CC..EExtended strand (participates in β ladder)trans161.8170.8-173.200000113.5D123 F143 Y172D123-G126 CarbonylContact C-O 3.58Å; D123-G126 WeakPolarHBondContact CA-O 3.41Å; D123-G126 PolarHBondContact N-O 3.47Å; D123-G126 PolarHBondContact O-N 3.06Å; D123-G126 VanDerWaalsContact O-O 3.07Å; G126-F143 CarbonylContact C-O 3.6Å; G126-F143 WeakPolarHBondContact CA-O 3.39Å; G126-Y172 PolarHBondContact O-OH 3.39Å
127A95.3Very high90.9Very high3 Ų324.9 Ų24.93%0.02514%0.142CC..EExtended strand (participates in β ladder)trans-122.8144.6176.800000110.4V121 F129 K142 F143 Y172 V176V121-A127 CarbonylContact O-C 3.54Å; V121-A127 VanDerWaalsContact O-CA 3.27Å; V121-A127 WeakPolarHBondContact O-CA 3.44Å; A127-F129 HydrophobicContact CB-CE2 4.02Å; A127-F129 HydrophobicContact CB-CZ 4.45Å; A127-K142 WeakPolarHBondContact O-CA 3.32Å; A127-F143 HydrophobicContact CB-CE1 4.32Å; A127-F143 HydrophobicContact CB-CE2 4.29Å; A127-F143 HydrophobicContact CB-CZ 3.99Å; A127-F143 PolarHBondContact N-O 2.9Å; A127-F143 PolarHBondContact O-N 3.49Å; A127-Y172 HydrophobicContact CB-CE2 4.35Å; A127-Y172 PolarHBondContact N-OH 2.94Å; A127-V176 HydrophobicContact CB-CG2 3.73Å
128L96.5Very high90.7Very high2 Ų227.4 Ų27.41%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-126.4134.6173.4179.6154.2000109.5V121 V139 K142 E232 F235V121-L128 HydrophobicContact CB-CB 4.25Å; V121-L128 HydrophobicContact CG2-CD2 4.43Å; V121-L128 PolarHBondContact N-O 3.32Å; V121-L128 PolarHBondContact O-N 3.21Å; L128-V139 HydrophobicContact CD1-CG1 3.92Å; L128-V139 HydrophobicContact CD1-CG2 4.37Å; L128-V139 HydrophobicContact CD2-CG1 4.32Å; L128-V139 HydrophobicContact CG-CG1 3.96Å; L128-K142 HydrophobicContact CB-CB 4.29Å; L128-K142 HydrophobicContact CD1-CB 4.44Å; L128-K142 HydrophobicContact CG-CB 4.3Å; L128-E232 HydrophobicContact CD1-CB 4.37Å; L128-E232 HydrophobicContact CD1-CG 3.55Å; L128-F235 HydrophobicContact CD2-CB 4.13Å; L128-F235 HydrophobicContact CD2-CD1 4.15Å; L128-F235 HydrophobicContact CD2-CG 4.02Å
129F97Very high90.6Very high0 Ų030.2 Ų30.20%017%0.171CC..EExtended strand (participates in β ladder)trans-113.9123.1175.8-59.4-94.6000107.9F119 I120 A127 L140 H141 F143 V176 T179 A180 L183 F184F119-F129 WeakPolarHBondContact O-CA 3.29Å; I120-F129 HydrophobicContact CD1-CD1 4.32Å; I120-F129 HydrophobicContact CD1-CE1 4.06Å; I120-F129 HydrophobicContact CG1-CD1 3.88Å; I120-F129 HydrophobicContact CG1-CE1 4Å; I120-F129 HydrophobicContact CG2-CD1 4.33Å; I120-F129 HydrophobicContact CG2-CE1 3.92Å; I120-F129 HydrophobicContact CG2-CZ 4.45Å; A127-F129 HydrophobicContact CB-CE2 4.02Å; A127-F129 HydrophobicContact CB-CZ 4.45Å; F129-L140 PolarHBondContact O-N 2.88Å; F129-H141 HydrophobicContact CD2-CB 4.42Å; F129-H141 PolarHBondContact N-O 3.03Å; F129-H141 PolarHBondContact O-N 3.29Å; F129-F143 HydrophobicContact CE2-CD1 4.38Å; F129-F143 AromaticContact CE2-CE1 3.69Å; F129-F143 HydrophobicContact CE2-CE1 3.69Å; F129-F143 HydrophobicContact CE2-CZ 4.44Å; F129-F143 HydrophobicContact CZ-CE1 4.42Å; F129-V176 HydrophobicContact CE1-CG1 4.22Å; F129-V176 HydrophobicContact CZ-CB 4.36Å; F129-V176 HydrophobicContact CZ-CG1 3.8Å; F129-V176 WeakPolarHBondContact CZ-O 3.5Å; F129-T179 HydrophobicContact CD2-CG2 4Å; F129-T179 HydrophobicContact CE1-CG2 4.4Å; F129-T179 HydrophobicContact CE2-CG2 3.63Å; F129-T179 HydrophobicContact CZ-CG2 3.84Å; F129-A180 HydrophobicContact CE1-CB 3.92Å; F129-L183 HydrophobicContact CB-CD1 3.48Å; F129-L183 VanDerWaalsContact CB-CD1 3.48Å; F129-L183 HydrophobicContact CD1-CD1 4.06Å; F129-L183 HydrophobicContact CD2-CD1 4.1Å; F129-L183 HydrophobicContact CG-CD1 3.61Å; F129-F184 HydrophobicContact CB-CZ 4.5Å; F129-F184 AromaticContact CD1-CE2 3.89Å; F129-F184 HydrophobicContact CD1-CE2 3.89Å
130G95.5Very high90.5Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-140164.9-179.200000111.6F119 E138F119-G130 PolarHBondContact N-O 2.98Å; F119-G130 PolarHBondContact O-N 3.04Å; G130-E138 CarbonylContact C-O 3.5Å; G130-E138 WeakPolarHBondContact CA-O 3.39Å
131T94.1Very high90.5Very high2 Ų237.5 Ų37.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-127.4146.8172.950.80000110.4K116 F117 R137 E138 L140 F184 V192K116-T131 HydrophobicContact CD-CG2 4.45Å; K116-T131 WeakPolarHBondContact CE-OG1 3.38Å; K116-T131 HydrophobicContact CG-CG2 4.4Å; F117-T131 CarbonylContact O-C 3.59Å; F117-T131 WeakPolarHBondContact O-CA 3.24Å; T131-R137 WeakPolarHBondContact O-CA 3.44Å; T131-E138 PolarHBondContact N-O 3.47Å; T131-E138 PolarHBondContact O-N 2.65Å; T131-L140 HydrophobicContact CG2-CD1 3.71Å; T131-L140 HydrophobicContact CG2-CG 4.29Å; T131-F184 HydrophobicContact CG2-CD1 4.42Å; T131-F184 HydrophobicContact CG2-CE1 3.67Å; T131-V192 HydrophobicContact CG2-CG1 4.3Å
132L90.1Very high90.4Very high19 Ų1943.2 Ų43.210%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-119.8129.3173.6-175.873.4000108.2F117 F119 T136 R137 I239 L246F117-L132 PolarHBondContact N-O 3.26Å; F117-L132 PolarHBondContact O-N 3.07Å; F119-L132 HydrophobicContact CD2-CB 4.14Å; F119-L132 HydrophobicContact CE2-CB 3.57Å; F119-L132 HydrophobicContact CE2-CD2 3.97Å; F119-L132 HydrophobicContact CE2-CG 4.43Å; F119-L132 HydrophobicContact CZ-CD2 4.17Å; L132-T136 WeakPolarHBondContact CA-O 3.28Å; L132-R137 HydrophobicContact CD1-CB 4.31Å; L132-I239 HydrophobicContact CD1-CD1 4.08Å; L132-I239 HydrophobicContact CD1-CG1 4.43Å; L132-I239 HydrophobicContact CD1-CG2 4.29Å; L132-I239 HydrophobicContact CD2-CG1 4.3Å; L132-I239 HydrophobicContact CD2-CG2 3.85Å; L132-L246 HydrophobicContact CD2-CD1 3.91Å
133Q85Confident90.5Very high41 Ų4144.4 Ų44.419%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-133.3108.7172.2-172.1173.218.400108.5D114 N135 T136D114-Q133 PolarHBondContact O-NE2 2.87Å; D114-Q133 VanDerWaalsContact O-NE2 3.13Å; Q133-N135 PolarHBondContact O-N 2.89Å; Q133-T136 PolarHBondContact N-O 2.85Å; Q133-T136 PolarHBondContact O-N 2.97Å; Q133-T136 PolarHBondContact O-OG1 3.34Å
134G79.2Confident90.6Very high27 Ų2749 Ų4928%0.27827%0.266SS..THydrogen-bonded Turntrans50.9-115.7-16900000111
135N73.4Confident90.7Very high113 Ų11349.3 Ų49.360%0.60426%0.262SS*.THydrogen-bonded Turntrans-92.9-2.3-179.8-70.4-23.9000115Q133Q133-N135 PolarHBondContact O-N 2.89Å
136T80.1Confident90.8Very high17 Ų1753.6 Ų53.610%0.10428%0.279CS..EExtended strand (participates in β ladder)trans-97.5128.418059.30000111.2P90 N92 L132 Q133P90-T136 HydrophobicContact CB-CG2 4.2Å; P90-T136 WeakPolarHBondContact O-CG2 3.28Å; N92-T136 HydrophobicContact CB-CG2 4.43Å; L132-T136 WeakPolarHBondContact CA-O 3.28Å; Q133-T136 PolarHBondContact N-O 2.85Å; Q133-T136 PolarHBondContact O-N 2.97Å; Q133-T136 PolarHBondContact O-OG1 3.34Å
137R87Confident90.7Very high143 Ų14354.4 Ų54.454%0.5428%0.281SS..EExtended strand (participates in β ladder)trans-109137.2172.775.2-179.4-171.8-157.4-4.6109.6T131 L132 F235 N236 I239T131-R137 WeakPolarHBondContact O-CA 3.44Å; L132-R137 HydrophobicContact CD1-CB 4.31Å; R137-F235 HydrophobicContact CB-CE1 4.06Å; R137-F235 HydrophobicContact CB-CZ 4.33Å; R137-N236 PolarHBondContact NH1-ND2 3.42Å; R137-N236 VanDerWaalsContact NH1-ND2 3.17Å; R137-N236 PolarHBondContact NH1-OD1 2.95Å; R137-I239 HydrophobicContact CB-CD1 4.45Å
138E89.8Confident90.5Very high73 Ų7357 Ų5734%0.34130%0.298SS..EExtended strand (participates in β ladder)trans-129.6131.7176.7-64.2-178.5159.800109.1K116 G130 T131K116-E138 IonicContact NZ-OE2 2.79Å; G130-E138 CarbonylContact C-O 3.5Å; G130-E138 WeakPolarHBondContact CA-O 3.39Å; T131-E138 PolarHBondContact N-O 3.47Å; T131-E138 PolarHBondContact O-N 2.65Å
139V93.8Very high90Very high59 Ų5964.3 Ų64.336%0.35833%0.33SS..EExtended strand (participates in β ladder)trans-95.7110.8171.5179.40000106.9L128 E232 F235L128-V139 HydrophobicContact CD1-CG1 3.92Å; L128-V139 HydrophobicContact CD1-CG2 4.37Å; L128-V139 HydrophobicContact CD2-CG1 4.32Å; L128-V139 HydrophobicContact CG-CG1 3.96Å; V139-E232 HydrophobicContact CG2-CG 4.31Å; V139-F235 HydrophobicContact CG2-CD1 4.29Å; V139-F235 HydrophobicContact CG2-CE1 4.26Å
140L94.1Very high89.5Confident68 Ų6872.9 Ų72.936%0.35637%0.367SS..EExtended strand (participates in β ladder)trans-77.7-49.7-177.5-62.3179.8000111F129 T131 L183 F184F129-L140 PolarHBondContact O-N 2.88Å; T131-L140 HydrophobicContact CG2-CD1 3.71Å; T131-L140 HydrophobicContact CG2-CG 4.29Å; L140-L183 HydrophobicContact CB-CD1 4.36Å; L140-L183 HydrophobicContact CB-CD2 4.34Å; L140-L183 HydrophobicContact CD1-CB 4.29Å; L140-F184 HydrophobicContact CD1-CE1 4.06Å
141H95.3Very high88.8Confident84 Ų8479.6 Ų79.639%0.38940%0.398SS..EExtended strand (participates in β ladder)trans-153.7148.2-177.1-167.365000111F129 F143 L183F129-H141 HydrophobicContact CD2-CB 4.42Å; F129-H141 PolarHBondContact N-O 3.03Å; F129-H141 PolarHBondContact O-N 3.29Å; H141-F143 AromaticContact CD2-CD1 3.74Å; H141-F143 AromaticContact NE2-CD1 3.71Å; H141-L183 HydrophobicContact CB-CD1 3.7Å
142K95.4Very high88Confident121 Ų12183.5 Ų83.553%0.52644%0.439SS..EExtended strand (participates in β ladder)trans-145.3142.9170.963.4-176.8175.9-174.40109.8A127 L128 E232A127-K142 WeakPolarHBondContact O-CA 3.32Å; L128-K142 HydrophobicContact CB-CB 4.29Å; L128-K142 HydrophobicContact CD1-CB 4.44Å; L128-K142 HydrophobicContact CG-CB 4.3Å; K142-E232 IonicContact NZ-OE1 3.49Å; K142-E232 PolarHBondContact NZ-OE1 3.23Å
143F95.1Very high87.4Confident26 Ų2693.6 Ų93.611%0.11448%0.476CS..EExtended strand (participates in β ladder)trans-143.7150.5171.462.5-99.1000110.6G126 A127 F129 H141 V145 Y172 K175 V176 T179G126-F143 CarbonylContact C-O 3.6Å; G126-F143 WeakPolarHBondContact CA-O 3.39Å; A127-F143 HydrophobicContact CB-CE1 4.32Å; A127-F143 HydrophobicContact CB-CE2 4.29Å; A127-F143 HydrophobicContact CB-CZ 3.99Å; A127-F143 PolarHBondContact N-O 2.9Å; A127-F143 PolarHBondContact O-N 3.49Å; F129-F143 HydrophobicContact CE2-CD1 4.38Å; F129-F143 AromaticContact CE2-CE1 3.69Å; F129-F143 HydrophobicContact CE2-CE1 3.69Å; F129-F143 HydrophobicContact CE2-CZ 4.44Å; F129-F143 HydrophobicContact CZ-CE1 4.42Å; H141-F143 AromaticContact CD2-CD1 3.74Å; H141-F143 AromaticContact NE2-CD1 3.71Å; F143-V145 HydrophobicContact CD2-CG1 3.89Å; F143-V145 HydrophobicContact CE2-CG1 3.84Å; F143-Y172 HydrophobicContact CE2-CD2 4.23Å; F143-Y172 AromaticContact CE2-CE2 3.76Å; F143-Y172 HydrophobicContact CE2-CE2 3.76Å; F143-Y172 HydrophobicContact CZ-CE2 4.35Å; F143-K175 HydrophobicContact CE2-CD 3.88Å; F143-K175 HydrophobicContact CE2-CG 4.37Å; F143-K175 HydrophobicContact CZ-CD 3.98Å; F143-K175 HydrophobicContact CZ-CG 3.98Å; F143-V176 HydrophobicContact CZ-CG2 3.93Å; F143-T179 HydrophobicContact CE1-CG2 4.29Å
144T94.4Very high86.9Confident126 Ų12693.2 Ų93.277%0.77348%0.483SS*.EExtended strand (participates in β ladder)trans-97.7152.417753.40000110.5S125S125-T144 WeakPolarHBondContact O-CA 3.48Å
145V92.3Very high87.3Confident34 Ų3495.2 Ų95.221%0.20650%0.503CS..  trans-135.9145.1174-64.90000110S125 F143 L147 Y172S125-V145 CarbonylContact C-O 3.51Å; S125-V145 PolarHBondContact O-N 3.38Å; F143-V145 HydrophobicContact CD2-CG1 3.89Å; F143-V145 HydrophobicContact CE2-CG1 3.84Å; V145-L147 HydrophobicContact CG2-CD1 4.31Å; V145-L147 HydrophobicContact CG2-CG 4.07Å; V145-Y172 HydrophobicContact CB-CD2 4.23Å; V145-Y172 HydrophobicContact CB-CE2 4.23Å; V145-Y172 HydrophobicContact CG1-CD2 3.63Å; V145-Y172 HydrophobicContact CG1-CE2 3.66Å; V145-Y172 HydrophobicContact CG2-CD1 4.5Å; V145-Y172 HydrophobicContact CG2-CD2 3.79Å; V145-Y172 HydrophobicContact CG2-CE1 4.24Å; V145-Y172 HydrophobicContact CG2-CE2 3.51Å; V145-Y172 HydrophobicContact CG2-CG 4.26Å
146D91.8Very high87.8Confident158 Ų15899 Ų9985%0.84552%0.517SS*.  trans-107.6102.5171.1-171.425.8000109.3
147L90.3Very high88.1Confident26 Ų26100.9 Ų100.914%0.13653%0.531CS..PPolyproline II helixtrans-94.9137.5-178.6-69176.2000110.9V145 K149 K168 R169 Y172 F203V145-L147 HydrophobicContact CG2-CD1 4.31Å; V145-L147 HydrophobicContact CG2-CG 4.07Å; L147-K149 PolarHBondContact O-N 3.15Å; L147-K168 HydrophobicContact CD2-CB 4.31Å; L147-R169 HydrophobicContact CD1-CG 4.43Å; L147-Y172 HydrophobicContact CD1-CD1 3.86Å; L147-Y172 HydrophobicContact CD1-CE1 4.27Å; L147-Y172 HydrophobicContact CD1-CG 4.39Å; L147-F203 HydrophobicContact CD1-CZ 4.02Å
148P89.8Confident88Confident59 Ų5996 Ų9638%0.38352%0.521SS..PPolyproline II helixtrans-56.1127.8177.4-2331.5000111.7R165 K168P148-R165 HydrophobicContact CB-CB 4.36Å; P148-R165 WeakPolarHBondContact O-CD 3.12Å; P148-R165 PolarHBondContact O-NH1 3.28Å; P148-K168 HydrophobicContact CG-CB 4.36Å; P148-K168 HydrophobicContact CG-CG 4.23Å
149K86.9Confident87.9Confident155 Ų15597.7 Ų97.767%0.67453%0.532SS*.PPolyproline II helixtrans-73.3163.1-179.6-70.2-176.7-176.8179.50112.3L147 H151 R165L147-K149 PolarHBondContact O-N 3.15Å; K149-H151 PolarHBondContact O-CD2 3.48Å; K149-H151 VanDerWaalsContact O-CD2 3.25Å; K149-H151 PolarHBondContact O-N 2.84Å; K149-R165 VanDerWaalsContact CA-NH1 3.26Å
150K86.4Confident87.7Confident180 Ų180101.8 Ų101.878%0.78354%0.541SS*.PPolyproline II helixtrans-77.3120.5179.6-170.8177.2178.41800105.9
151H79.8Confident87.4Confident140 Ų140103.8 Ų103.865%0.64855%0.547SS*.  trans-125.7132.1179.1-60.7-54.9000109.5K149K149-H151 PolarHBondContact O-CD2 3.48Å; K149-H151 VanDerWaalsContact O-CD2 3.25Å; K149-H151 PolarHBondContact O-N 2.84Å
152G77.8Confident87.1Confident84 Ų84102.4 Ų102.487%0.86655%0.55SS**  trans-89.6-1.3172.300000113.5
153R78.1Confident86.9Confident231 Ų231105.1 Ų105.187%0.87256%0.557SS**  trans-92.6129179.3-64.3-179.7176161.6-1.6108.9
154G75.4Confident86.7Confident34 Ų34106.8 Ų106.835%0.35157%0.567SS.*  trans160.1-11.7177.900000117.1Q156 S157G154-Q156 PolarHBondContact O-N 3.43Å; G154-S157 WeakPolarHBondContact O-CA 3.46Å; G154-S157 WeakPolarHBondContact O-CB 3.42Å; G154-S157 PolarHBondContact O-N 3.06Å
155G86.2Confident86.5Confident68 Ų68103 Ų10370%0.70154%0.539SS*.G310 helixtrans51.3-125-179.300000111.7S157 A158G155-S157 PolarHBondContact O-N 3.17Å; G155-A158 VanDerWaalsContact O-CB 3.25Å; G155-A158 WeakPolarHBondContact O-CB 3.47Å; G155-A158 PolarHBondContact O-N 3.03Å; G155-A158 VanDerWaalsContact O-N 3.15Å
156Q84.8Confident86.4Confident192 Ų192106.2 Ų106.290%0.89755%0.552SS**G310 helixtrans-59.8-29.2176.7-64.5-64.6-15.300113.8G154 A158G154-Q156 PolarHBondContact O-N 3.43Å; Q156-A158 VanDerWaalsContact C-N 3.32Å; Q156-A158 PolarHBondContact O-N 3.21Å
157S84.8Confident86.5Confident57 Ų57104.1 Ų104.140%0.39954%0.537SS..G310 helixtrans-82.4-6.6-179.8-62.50000113.7G154 G155 L159 R160 F161G154-S157 WeakPolarHBondContact O-CA 3.46Å; G154-S157 WeakPolarHBondContact O-CB 3.42Å; G154-S157 PolarHBondContact O-N 3.06Å; G155-S157 PolarHBondContact O-N 3.17Å; S157-L159 VanDerWaalsContact C-N 3.29Å; S157-L159 PolarHBondContact O-N 3.06Å; S157-R160 PolarHBondContact O-N 3.09Å; S157-F161 WeakPolarHBondContact O-CD2 3.49Å; S157-F161 PolarHBondContact O-N 3.22Å
158A86.8Confident86.6Confident40 Ų40108.6 Ų108.633%0.33156%0.556SS.*Hα-helixtrans-57.8-40.9-17700000112.4G155 Q156 F161 A162G155-A158 VanDerWaalsContact O-CB 3.25Å; G155-A158 WeakPolarHBondContact O-CB 3.47Å; G155-A158 PolarHBondContact O-N 3.03Å; G155-A158 VanDerWaalsContact O-N 3.15Å; Q156-A158 VanDerWaalsContact C-N 3.32Å; Q156-A158 PolarHBondContact O-N 3.21Å; A158-F161 PolarHBondContact O-N 3.27Å; A158-A162 PolarHBondContact O-N 2.94Å
159L87.4Confident86.7Confident109 Ų109108.3 Ų108.357%0.57155%0.547SS*.Hα-helixtrans-68.7-36.2-179.1-157.4145.4000111.9S157 A162 R163S157-L159 VanDerWaalsContact C-N 3.29Å; S157-L159 PolarHBondContact O-N 3.06Å; L159-A162 PolarHBondContact O-N 3.4Å; L159-R163 HydrophobicContact CD2-CG 4.43Å; L159-R163 VanDerWaalsContact CD2-CZ 3.5Å; L159-R163 VanDerWaalsContact CD2-NE 3.34Å; L159-R163 WeakPolarHBondContact O-CG 3.44Å; L159-R163 PolarHBondContact O-N 2.91Å
160R89.4Confident87Confident146 Ų146105.2 Ų105.255%0.55154%0.535SS*.Hα-helixtrans-64.5-45.1172.8178.7-178.7167.3-86.70111.6S157 A162 R163 L164S157-R160 PolarHBondContact O-N 3.09Å; R160-A162 VanDerWaalsContact C-N 3.32Å; R160-A162 PolarHBondContact O-N 3.23Å; R160-R163 PolarHBondContact O-N 3Å; R160-L164 HydrophobicContact CG-CD1 4.21Å; R160-L164 WeakPolarHBondContact O-CG 3.5Å; R160-L164 PolarHBondContact O-N 2.69Å
161F88.2Confident87.3Confident110 Ų11099.5 Ų99.548%0.48251%0.513SS..Hα-helixtrans-65.3-36.3177.7-69.7-59.5000112.5S157 A158 L164 R165S157-F161 WeakPolarHBondContact O-CD2 3.49Å; S157-F161 PolarHBondContact O-N 3.22Å; A158-F161 PolarHBondContact O-N 3.27Å; F161-L164 HydrophobicContact CD1-CD1 4.48Å; F161-R165 WeakPolarHBondContact O-CB 3.41Å; F161-R165 PolarHBondContact O-N 2.99Å
162A88.5Confident88Confident54 Ų5493.2 Ų93.245%0.44648%0.484SS..Hα-helixtrans-61.5-45.4172.200000111.7A158 L159 R160 R165 M166A158-A162 PolarHBondContact O-N 2.94Å; L159-A162 PolarHBondContact O-N 3.4Å; R160-A162 VanDerWaalsContact C-N 3.32Å; R160-A162 PolarHBondContact O-N 3.23Å; A162-R165 PolarHBondContact O-N 3.12Å; A162-M166 WeakPolarHBondContact O-CG 3.36Å; A162-M166 PolarHBondContact O-N 2.92Å
163R90.3Very high88.7Confident178 Ų17889.4 Ų89.467%0.67244%0.443SS*.Hα-helixtrans-61.3-49175.8-73.2-179.7-176.6173.82.6112.3L159 R160 R165 M166 E167L159-R163 HydrophobicContact CD2-CG 4.43Å; L159-R163 VanDerWaalsContact CD2-CZ 3.5Å; L159-R163 VanDerWaalsContact CD2-NE 3.34Å; L159-R163 WeakPolarHBondContact O-CG 3.44Å; L159-R163 PolarHBondContact O-N 2.91Å; R160-R163 PolarHBondContact O-N 3Å; R163-R165 PolarHBondContact O-N 3.34Å; R163-M166 PolarHBondContact O-N 2.72Å; R163-M166 VanDerWaalsContact O-N 3.1Å; R163-E167 WeakPolarHBondContact O-CB 3.46Å; R163-E167 PolarHBondContact O-N 3.15Å
164L91.4Very high89.5Confident61 Ų6183.5 Ų83.532%0.31942%0.421SS..Hα-helixtrans-58.5-37.6177.4-75.6169.9000112.3R160 F161 K168R160-L164 HydrophobicContact CG-CD1 4.21Å; R160-L164 WeakPolarHBondContact O-CG 3.5Å; R160-L164 PolarHBondContact O-N 2.69Å; F161-L164 HydrophobicContact CD1-CD1 4.48Å; L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 VanDerWaalsContact O-CG 3.31Å; L164-K168 WeakPolarHBondContact O-CG 3.34Å; L164-K168 PolarHBondContact O-N 3.25Å
165R90.7Very high90.5Very high48 Ų4886.4 Ų86.418%0.18142%0.424CS..Hα-helixtrans-64.5-45.7175173.6177.6158.8109.1-12.6111.6P148 K149 F161 A162 R163 E167 K168 R169P148-R165 HydrophobicContact CB-CB 4.36Å; P148-R165 WeakPolarHBondContact O-CD 3.12Å; P148-R165 PolarHBondContact O-NH1 3.28Å; K149-R165 VanDerWaalsContact CA-NH1 3.26Å; F161-R165 WeakPolarHBondContact O-CB 3.41Å; F161-R165 PolarHBondContact O-N 2.99Å; A162-R165 PolarHBondContact O-N 3.12Å; R163-R165 PolarHBondContact O-N 3.34Å; R165-E167 VanDerWaalsContact C-N 3.35Å; R165-K168 PolarHBondContact O-N 3.43Å; R165-R169 WeakPolarHBondContact O-CG 3Å; R165-R169 PolarHBondContact O-N 2.93Å
166M90.6Very high90.9Very high100 Ų10083.2 Ų83.249%0.49339%0.391SS..Hα-helixtrans-65.2-39.5177.5-66.3-54.8-69.600111.8A162 R163 K168 R169 H170A162-M166 WeakPolarHBondContact O-CG 3.36Å; A162-M166 PolarHBondContact O-N 2.92Å; R163-M166 PolarHBondContact O-N 2.72Å; R163-M166 VanDerWaalsContact O-N 3.1Å; M166-K168 PolarHBondContact O-N 3.14Å; M166-R169 WeakPolarHBondContact O-CB 3.13Å; M166-R169 PolarHBondContact O-N 3.5Å; M166-H170 WeakPolarHBondContact O-CB 3.4Å; M166-H170 PolarHBondContact O-N 2.76Å
167E92.9Very high91.4Very high114 Ų11474.2 Ų74.253%0.53335%0.349SS..Hα-helixtrans-62.4-43.8176-169.5-175.5167.200111.9R163 R165 R169 H170 N171R163-E167 WeakPolarHBondContact O-CB 3.46Å; R163-E167 PolarHBondContact O-N 3.15Å; R165-E167 VanDerWaalsContact C-N 3.35Å; E167-R169 PolarHBondContact O-N 3.22Å; E167-H170 PolarHBondContact O-N 2.99Å; E167-N171 VanDerWaalsContact O-CG 3.3Å; E167-N171 PolarHBondContact O-N 3.33Å; E167-N171 PolarHBondContact O-ND2 3.28Å
168K93Very high91.9Very high120 Ų12076.7 Ų76.752%0.52236%0.355SS..Hα-helixtrans-65.4-37.2175.3-70.8-67.7-179.3-176.20112.7L147 P148 L164 R165 M166 Y172L147-K168 HydrophobicContact CD2-CB 4.31Å; P148-K168 HydrophobicContact CG-CB 4.36Å; P148-K168 HydrophobicContact CG-CG 4.23Å; L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 VanDerWaalsContact O-CG 3.31Å; L164-K168 WeakPolarHBondContact O-CG 3.34Å; L164-K168 PolarHBondContact O-N 3.25Å; R165-K168 PolarHBondContact O-N 3.43Å; M166-K168 PolarHBondContact O-N 3.14Å; K168-Y172 WeakPolarHBondContact O-CB 3.44Å; K168-Y172 PolarHBondContact O-N 2.95Å
169R91.7Very high92.3Very high54 Ų5475.5 Ų75.520%0.20434%0.343CS..Hα-helixtrans-64-46173.3-76178.5168.9-149.5-18.1111.9L147 R165 M166 E167 N171 Y172 V173 F203L147-R169 HydrophobicContact CD1-CG 4.43Å; R165-R169 WeakPolarHBondContact O-CG 3Å; R165-R169 PolarHBondContact O-N 2.93Å; M166-R169 WeakPolarHBondContact O-CB 3.13Å; M166-R169 PolarHBondContact O-N 3.5Å; E167-R169 PolarHBondContact O-N 3.22Å; R169-N171 PolarHBondContact O-N 2.92Å; R169-Y172 WeakPolarHBondContact O-CB 3.33Å; R169-Y172 PolarHBondContact O-N 3.39Å; R169-Y172 VanDerWaalsContact O-N 3.1Å; R169-V173 WeakPolarHBondContact O-CG2 3.48Å; R169-V173 PolarHBondContact O-N 3.49Å; R169-F203 HydrophobicContact CB-CE1 4.06Å; R169-F203 HydrophobicContact CG-CE1 3.8Å; R169-F203 HydrophobicContact CG-CZ 3.84Å
170H92.4Very high92.7Very high89 Ų8970.3 Ų70.341%0.41232%0.316SS..Hα-helixtrans-60.3-44.2177.1-177.3-92.9000111.9M166 E167 Y172 V173 R174 M212M166-H170 WeakPolarHBondContact O-CB 3.4Å; M166-H170 PolarHBondContact O-N 2.76Å; E167-H170 PolarHBondContact O-N 2.99Å; H170-Y172 VanDerWaalsContact C-N 3.28Å; H170-Y172 PolarHBondContact O-N 2.81Å; H170-V173 PolarHBondContact O-N 3.48Å; H170-R174 PolarHBondContact O-N 2.98Å; H170-M212 PolarHBondContact CE1-SD 3.14Å; H170-M212 VanDerWaalsContact NE2-CE 3.28Å; H170-M212 WeakPolarHBondContact NE2-CE 3.17Å; H170-M212 PolarHBondContact NE2-SD 2.83Å
171N93.6Very high93Very high61 Ų6165.5 Ų65.533%0.32630%0.303SS..Hα-helixtrans-64.5-32.3174.8-70.6-27.8000112.9E167 R169 K175E167-N171 VanDerWaalsContact O-CG 3.3Å; E167-N171 PolarHBondContact O-N 3.33Å; E167-N171 PolarHBondContact O-ND2 3.28Å; R169-N171 PolarHBondContact O-N 2.92Å; N171-K175 PolarHBondContact O-N 2.95Å
172Y93.9Very high93.3Very high8 Ų867.4 Ų67.43%0.03131%0.313CS..Hα-helixtrans-67.7-47.1173.4171.1-124.5000111.9I122 D123 G126 A127 F143 V145 L147 K168 R169 H170 R174 K175 V176I122-Y172 HydrophobicContact CD1-CE1 3.93Å; I122-Y172 HydrophobicContact CG1-CE1 3.79Å; D123-Y172 WeakPolarHBondContact O-CE1 3.13Å; D123-Y172 PolarHBondContact O-OH 3.08Å; G126-Y172 PolarHBondContact O-OH 3.39Å; A127-Y172 HydrophobicContact CB-CE2 4.35Å; A127-Y172 PolarHBondContact N-OH 2.94Å; F143-Y172 HydrophobicContact CE2-CD2 4.23Å; F143-Y172 AromaticContact CE2-CE2 3.76Å; F143-Y172 HydrophobicContact CE2-CE2 3.76Å; F143-Y172 HydrophobicContact CZ-CE2 4.35Å; V145-Y172 HydrophobicContact CB-CD2 4.23Å; V145-Y172 HydrophobicContact CB-CE2 4.23Å; V145-Y172 HydrophobicContact CG1-CD2 3.63Å; V145-Y172 HydrophobicContact CG1-CE2 3.66Å; V145-Y172 HydrophobicContact CG2-CD1 4.5Å; V145-Y172 HydrophobicContact CG2-CD2 3.79Å; V145-Y172 HydrophobicContact CG2-CE1 4.24Å; V145-Y172 HydrophobicContact CG2-CE2 3.51Å; V145-Y172 HydrophobicContact CG2-CG 4.26Å; L147-Y172 HydrophobicContact CD1-CD1 3.86Å; L147-Y172 HydrophobicContact CD1-CE1 4.27Å; L147-Y172 HydrophobicContact CD1-CG 4.39Å; K168-Y172 WeakPolarHBondContact O-CB 3.44Å; K168-Y172 PolarHBondContact O-N 2.95Å; R169-Y172 WeakPolarHBondContact O-CB 3.33Å; R169-Y172 PolarHBondContact O-N 3.39Å; R169-Y172 VanDerWaalsContact O-N 3.1Å; H170-Y172 VanDerWaalsContact C-N 3.28Å; H170-Y172 PolarHBondContact O-N 2.81Å; Y172-R174 VanDerWaalsContact C-N 3.29Å; Y172-R174 PolarHBondContact O-N 3.38Å; Y172-K175 PolarHBondContact O-N 3.48Å; Y172-K175 VanDerWaalsContact O-N 3.16Å; Y172-V176 HydrophobicContact CD2-CG2 4.02Å; Y172-V176 HydrophobicContact CE2-CG2 3.61Å; Y172-V176 WeakPolarHBondContact O-CG2 3.45Å; Y172-V176 PolarHBondContact O-N 2.79Å
173V93.5Very high93.6Very high3 Ų367 Ų672%0.01830%0.303CS..Hα-helixtrans-58-43.1174.6174.80000110.6R169 H170 K175 V176 A177 F203 L207 M212R169-V173 WeakPolarHBondContact O-CG2 3.48Å; R169-V173 PolarHBondContact O-N 3.49Å; H170-V173 PolarHBondContact O-N 3.48Å; V173-K175 PolarHBondContact O-N 3.37Å; V173-V176 PolarHBondContact O-N 2.63Å; V173-A177 WeakPolarHBondContact O-CB 3.18Å; V173-A177 PolarHBondContact O-N 3.12Å; V173-F203 HydrophobicContact CG2-CD1 4.42Å; V173-L207 HydrophobicContact CG1-CB 4.23Å; V173-L207 HydrophobicContact CG1-CD1 3.74Å; V173-M212 HydrophobicContact CB-CE 4.29Å; V173-M212 HydrophobicContact CG1-CE 3.95Å
174R94.4Very high93.8Very high107 Ų10758.5 Ų58.540%0.40427%0.271SS..Hα-helixtrans-56.5-51.1173.5-175.9-177.8-63.9173.3-3.4112.1H170 Y172 V176 A177 E178 M212H170-R174 PolarHBondContact O-N 2.98Å; Y172-R174 VanDerWaalsContact C-N 3.29Å; Y172-R174 PolarHBondContact O-N 3.38Å; R174-V176 VanDerWaalsContact C-N 3.27Å; R174-V176 PolarHBondContact O-N 3.26Å; R174-A177 PolarHBondContact O-N 3.03Å; R174-E178 HydrophobicContact CG-CG 4.4Å; R174-E178 WeakPolarHBondContact CG-OE1 3.38Å; R174-E178 WeakPolarHBondContact O-CG 3.4Å; R174-E178 PolarHBondContact O-N 2.89Å; R174-M212 HydrophobicContact CB-SD 3.73Å; R174-M212 HydrophobicContact CG-SD 4.14Å
175K95.3Very high94Very high96 Ų9656.5 Ų56.542%0.41726%0.261SS..Hα-helixtrans-58.8-41.2178.9-176-179.7177.6-175.50111.4F143 N171 Y172 V173 T179F143-K175 HydrophobicContact CE2-CD 3.88Å; F143-K175 HydrophobicContact CE2-CG 4.37Å; F143-K175 HydrophobicContact CZ-CD 3.98Å; F143-K175 HydrophobicContact CZ-CG 3.98Å; N171-K175 PolarHBondContact O-N 2.95Å; Y172-K175 PolarHBondContact O-N 3.48Å; Y172-K175 VanDerWaalsContact O-N 3.16Å; V173-K175 PolarHBondContact O-N 3.37Å; K175-T179 WeakPolarHBondContact O-CB 3.41Å; K175-T179 PolarHBondContact O-N 3.38Å; K175-T179 PolarHBondContact O-OG1 3.47Å
176V95.4Very high94Very high0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-64-45.1176.8171.70000111I120 I122 A127 F129 F143 Y172 V173 R174 T179 A180 L207I120-V176 HydrophobicContact CG2-CG1 3.9Å; I122-V176 HydrophobicContact CD1-CG1 4.34Å; I122-V176 HydrophobicContact CD1-CG2 4.25Å; A127-V176 HydrophobicContact CB-CG2 3.73Å; F129-V176 HydrophobicContact CE1-CG1 4.22Å; F129-V176 HydrophobicContact CZ-CB 4.36Å; F129-V176 HydrophobicContact CZ-CG1 3.8Å; F129-V176 WeakPolarHBondContact CZ-O 3.5Å; F143-V176 HydrophobicContact CZ-CG2 3.93Å; Y172-V176 HydrophobicContact CD2-CG2 4.02Å; Y172-V176 HydrophobicContact CE2-CG2 3.61Å; Y172-V176 WeakPolarHBondContact O-CG2 3.45Å; Y172-V176 PolarHBondContact O-N 2.79Å; V173-V176 PolarHBondContact O-N 2.63Å; R174-V176 VanDerWaalsContact C-N 3.27Å; R174-V176 PolarHBondContact O-N 3.26Å; V176-T179 PolarHBondContact O-N 3.39Å; V176-A180 WeakPolarHBondContact O-CB 3.44Å; V176-A180 PolarHBondContact O-N 3.38Å; V176-L207 HydrophobicContact CG1-CD1 4.28Å; V176-L207 HydrophobicContact CG1-CD2 3.84Å
177A95.8Very high93.8Very high3 Ų356.6 Ų56.63%0.02529%0.291CS..Hα-helixtrans-61.4-46.5177.300000112.3V173 R174 T179 A180 V181 L207 F213V173-A177 WeakPolarHBondContact O-CB 3.18Å; V173-A177 PolarHBondContact O-N 3.12Å; R174-A177 PolarHBondContact O-N 3.03Å; A177-T179 PolarHBondContact O-N 3.46Å; A177-A180 WeakPolarHBondContact O-CB 3.37Å; A177-A180 PolarHBondContact O-N 3.16Å; A177-V181 PolarHBondContact O-N 3.28Å; A177-V181 VanDerWaalsContact O-N 3.11Å; A177-L207 HydrophobicContact CB-CD1 3.98Å; A177-F213 HydrophobicContact CB-CD2 3.98Å
178E95Very high93.6Very high109 Ų10957.1 Ų57.151%0.50930%0.298SS..Hα-helixtrans-63.3-41.3177-71.5171.9-175.700111.9R174 A180 V181 Q182R174-E178 HydrophobicContact CG-CG 4.4Å; R174-E178 WeakPolarHBondContact CG-OE1 3.38Å; R174-E178 WeakPolarHBondContact O-CG 3.4Å; R174-E178 PolarHBondContact O-N 2.89Å; E178-A180 VanDerWaalsContact C-N 3.31Å; E178-A180 PolarHBondContact O-N 3.33Å; E178-V181 PolarHBondContact O-N 2.79Å; E178-Q182 WeakPolarHBondContact O-CG 3.31Å; E178-Q182 PolarHBondContact O-N 2.91Å; E178-Q182 VanDerWaalsContact O-N 3.16Å
179T95.9Very high93.4Very high15 Ų1559.3 Ų59.39%0.09231%0.307CS..Hα-helixtrans-65.6-36.6176.1-50.80000111.2F129 F143 K175 V176 A177 V181 Q182 L183F129-T179 HydrophobicContact CD2-CG2 4Å; F129-T179 HydrophobicContact CE1-CG2 4.4Å; F129-T179 HydrophobicContact CE2-CG2 3.63Å; F129-T179 HydrophobicContact CZ-CG2 3.84Å; F143-T179 HydrophobicContact CE1-CG2 4.29Å; K175-T179 WeakPolarHBondContact O-CB 3.41Å; K175-T179 PolarHBondContact O-N 3.38Å; K175-T179 PolarHBondContact O-OG1 3.47Å; V176-T179 PolarHBondContact O-N 3.39Å; A177-T179 PolarHBondContact O-N 3.46Å; T179-V181 VanDerWaalsContact C-N 3.34Å; T179-V181 PolarHBondContact O-N 2.94Å; T179-Q182 PolarHBondContact O-N 3.3Å; T179-L183 HydrophobicContact CG2-CD1 3.86Å; T179-L183 HydrophobicContact CG2-CG 4.44Å; T179-L183 WeakPolarHBondContact O-CG 3.07Å; T179-L183 PolarHBondContact O-N 3.16Å; T179-L183 VanDerWaalsContact O-N 3.16Å
180A95.6Very high93.5Very high0 Ų058 Ų580%031%0.305CS..Hα-helixtrans-61.7-42.617600000111.7I120 F129 V176 A177 E178 L183 F184 F213 L217I120-A180 HydrophobicContact CD1-CB 3.65Å; F129-A180 HydrophobicContact CE1-CB 3.92Å; V176-A180 WeakPolarHBondContact O-CB 3.44Å; V176-A180 PolarHBondContact O-N 3.38Å; A177-A180 WeakPolarHBondContact O-CB 3.37Å; A177-A180 PolarHBondContact O-N 3.16Å; E178-A180 VanDerWaalsContact C-N 3.31Å; E178-A180 PolarHBondContact O-N 3.33Å; A180-L183 PolarHBondContact O-N 2.89Å; A180-F184 HydrophobicContact CB-CD2 4.24Å; A180-F184 WeakPolarHBondContact O-CB 3.2Å; A180-F184 WeakPolarHBondContact O-CD2 3.44Å; A180-F184 PolarHBondContact O-N 2.9Å; A180-F213 HydrophobicContact CB-CE2 3.97Å; A180-L217 HydrophobicContact CB-CD1 3.98Å
181V95.3Very high93.4Very high45 Ų4556.9 Ų56.927%0.27330%0.302SS..Hα-helixtrans-60.3-46176168.10000110.9A177 E178 T179 L183 I185 D214 L217A177-V181 PolarHBondContact O-N 3.28Å; A177-V181 VanDerWaalsContact O-N 3.11Å; E178-V181 PolarHBondContact O-N 2.79Å; T179-V181 VanDerWaalsContact C-N 3.34Å; T179-V181 PolarHBondContact O-N 2.94Å; V181-L183 VanDerWaalsContact C-N 3.27Å; V181-L183 PolarHBondContact O-N 3.44Å; V181-I185 HydrophobicContact CB-CD1 4.45Å; V181-I185 HydrophobicContact CG1-CD1 4.08Å; V181-I185 HydrophobicContact CG2-CD1 4.27Å; V181-I185 VanDerWaalsContact O-CB 3.29Å; V181-I185 WeakPolarHBondContact O-CB 3.48Å; V181-I185 PolarHBondContact O-N 3.23Å; V181-I185 VanDerWaalsContact O-N 3.15Å; V181-D214 HydrophobicContact CG2-CB 3.65Å; V181-L217 HydrophobicContact CG2-CD1 4.02Å
182Q94.3Very high93.3Very high151 Ų15154.3 Ų54.371%0.70629%0.289SS*.Hα-helixtrans-62.3-32.3179.7-69.6175.9-0.200113.6E178 T179E178-Q182 WeakPolarHBondContact O-CG 3.31Å; E178-Q182 PolarHBondContact O-N 2.91Å; E178-Q182 VanDerWaalsContact O-N 3.16Å; T179-Q182 PolarHBondContact O-N 3.3Å
183L94.3Very high93.1Very high44 Ų4455.2 Ų55.223%0.2330%0.298CS..Hα-helixtrans-94.6-39.6-174.6-65.8173.2000113.4F129 L140 H141 T179 A180 V181 N191F129-L183 HydrophobicContact CB-CD1 3.48Å; F129-L183 VanDerWaalsContact CB-CD1 3.48Å; F129-L183 HydrophobicContact CD1-CD1 4.06Å; F129-L183 HydrophobicContact CD2-CD1 4.1Å; F129-L183 HydrophobicContact CG-CD1 3.61Å; L140-L183 HydrophobicContact CB-CD1 4.36Å; L140-L183 HydrophobicContact CB-CD2 4.34Å; L140-L183 HydrophobicContact CD1-CB 4.29Å; H141-L183 HydrophobicContact CB-CD1 3.7Å; T179-L183 HydrophobicContact CG2-CD1 3.86Å; T179-L183 HydrophobicContact CG2-CG 4.44Å; T179-L183 WeakPolarHBondContact O-CG 3.07Å; T179-L183 PolarHBondContact O-N 3.16Å; T179-L183 VanDerWaalsContact O-N 3.16Å; A180-L183 PolarHBondContact O-N 2.89Å; V181-L183 VanDerWaalsContact C-N 3.27Å; V181-L183 PolarHBondContact O-N 3.44Å; L183-N191 PolarHBondContact O-ND2 2.76Å
184F95.4Very high93.1Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-100.8-4.1-172.3-62.5-58.5000114.1I120 F129 T131 L140 A180 V190 N191 V192 L195 L217I120-F184 HydrophobicContact CD1-CD2 4.38Å; I120-F184 HydrophobicContact CD1-CE2 3.97Å; I120-F184 HydrophobicContact CG1-CE2 3.66Å; I120-F184 HydrophobicContact CG1-CZ 4.42Å; F129-F184 HydrophobicContact CB-CZ 4.5Å; F129-F184 AromaticContact CD1-CE2 3.89Å; F129-F184 HydrophobicContact CD1-CE2 3.89Å; T131-F184 HydrophobicContact CG2-CD1 4.42Å; T131-F184 HydrophobicContact CG2-CE1 3.67Å; L140-F184 HydrophobicContact CD1-CE1 4.06Å; A180-F184 HydrophobicContact CB-CD2 4.24Å; A180-F184 WeakPolarHBondContact O-CB 3.2Å; A180-F184 WeakPolarHBondContact O-CD2 3.44Å; A180-F184 PolarHBondContact O-N 2.9Å; F184-V190 CarbonylContact O-C 3.59Å; F184-V190 WeakPolarHBondContact O-CA 3.35Å; F184-N191 WeakPolarHBondContact CA-OD1 3.23Å; F184-N191 PolarHBondContact O-N 3.06Å; F184-N191 PolarHBondContact O-OD1 2.91Å; F184-N191 VanDerWaalsContact O-OD1 3.06Å; F184-V192 HydrophobicContact CB-CG2 4.45Å; F184-V192 HydrophobicContact CD1-CG1 3.85Å; F184-V192 HydrophobicContact CD1-CG2 4.25Å; F184-V192 HydrophobicContact CE1-CG1 4.26Å; F184-L195 HydrophobicContact CD2-CD1 3.94Å; F184-L195 HydrophobicContact CE2-CD1 3.81Å; F184-L195 HydrophobicContact CG-CD1 4.36Å; F184-L195 HydrophobicContact CZ-CD1 4.14Å; F184-L217 HydrophobicContact CB-CD2 3.7Å
185I94.4Very high93.1Very high20 Ų2050 Ų5010%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-112.3130.3173.1-52.8-169.8000109.1V181 L217V181-I185 HydrophobicContact CB-CD1 4.45Å; V181-I185 HydrophobicContact CG1-CD1 4.08Å; V181-I185 HydrophobicContact CG2-CD1 4.27Å; V181-I185 VanDerWaalsContact O-CB 3.29Å; V181-I185 WeakPolarHBondContact O-CB 3.48Å; V181-I185 PolarHBondContact O-N 3.23Å; V181-I185 VanDerWaalsContact O-N 3.15Å; I185-L217 HydrophobicContact CD1-CD1 4.31Å; I185-L217 HydrophobicContact CD1-CD2 4.47Å; I185-L217 HydrophobicContact CD1-CG 4.08Å; I185-L217 HydrophobicContact CG1-CD1 4.33Å; I185-L217 HydrophobicContact CG1-CD2 4.04Å; I185-L217 HydrophobicContact CG1-CG 4.16Å
186S91.9Very high93.1Very high70 Ų7045.4 Ų45.449%0.4926%0.258SS..EExtended strand (participates in β ladder)trans-136.8117.9176.5-56.70000108.5K189 N191S186-K189 PolarHBondContact N-O 3.47Å; S186-K189 PolarHBondContact O-N 2.92Å; S186-K189 VanDerWaalsContact O-O 3.13Å; S186-N191 PolarHBondContact OG-ND2 3.08Å; S186-N191 VanDerWaalsContact OG-ND2 3.16Å
187G86.8Confident93.2Very high80 Ų8045.4 Ų45.483%0.82526%0.258SS*.THydrogen-bonded Turntrans59.647.9-175.900000113.1K189G187-K189 PolarHBondContact O-N 2.93Å
188D88.3Confident93.2Very high125 Ų12545.3 Ų45.367%0.66826%0.257SS*.THydrogen-bonded Turntrans59.74.2-178.4-76.1-44.7000117.6R216D188-R216 PolarHBondContact O-NH1 3.48Å; D188-R216 IonicContact OD1-CZ 2.92Å; D188-R216 IonicContact OD1-NH1 3.66Å; D188-R216 PolarHBondContact OD1-NH1 3.28Å; D188-R216 IonicContact OD1-NH2 3.67Å
189K89.3Confident93.1Very high165 Ų16540.1 Ų40.172%0.71723%0.233SC*.EExtended strand (participates in β ladder)trans-114.3143.4174.8-164.9171.6-179179.20110.6S186 G187 N191S186-K189 PolarHBondContact N-O 3.47Å; S186-K189 PolarHBondContact O-N 2.92Å; S186-K189 VanDerWaalsContact O-O 3.13Å; G187-K189 PolarHBondContact O-N 2.93Å; K189-N191 PolarHBondContact O-N 3.13Å
190V92.9Very high92.3Very high26 Ų2641.2 Ų41.216%0.15824%0.241CC..EExtended strand (participates in β ladder)trans-68.4128.3175.5-176.60000108.9F184 V192 R216 L217 K220F184-V190 CarbonylContact O-C 3.59Å; F184-V190 WeakPolarHBondContact O-CA 3.35Å; V190-V192 VanDerWaalsContact C-N 3.34Å; V190-V192 HydrophobicContact CG1-CG2 3.51Å; V190-R216 HydrophobicContact CG2-CB 4.04Å; V190-L217 HydrophobicContact CB-CD2 4.44Å; V190-L217 HydrophobicContact CG1-CD2 3.77Å; V190-L217 HydrophobicContact CG2-CD2 3.85Å; V190-K220 HydrophobicContact CG1-CG 4.45Å
191N90.9Very high91.6Very high67 Ų6744.3 Ų44.336%0.35827%0.266SS..SBendtrans-86.7-4.1-177.164.217.4000113.8L183 F184 S186 K189L183-N191 PolarHBondContact O-ND2 2.76Å; F184-N191 WeakPolarHBondContact CA-OD1 3.23Å; F184-N191 PolarHBondContact O-N 3.06Å; F184-N191 PolarHBondContact O-OD1 2.91Å; F184-N191 VanDerWaalsContact O-OD1 3.06Å; S186-N191 PolarHBondContact OG-ND2 3.08Å; S186-N191 VanDerWaalsContact OG-ND2 3.16Å; K189-N191 PolarHBondContact O-N 3.13Å
192V91.5Very high91.2Very high6 Ų647.8 Ų47.84%0.03628%0.284CS..SBendtrans-111.1143.9176.7-68.30000111.7K116 T131 F184 V190 G194K116-V192 HydrophobicContact CG-CG1 4.3Å; K116-V192 CarbonylContact O-C 3.56Å; K116-V192 VanDerWaalsContact O-CA 3.28Å; K116-V192 WeakPolarHBondContact O-CA 3.44Å; K116-V192 WeakPolarHBondContact O-CB 3.33Å; T131-V192 HydrophobicContact CG2-CG1 4.3Å; F184-V192 HydrophobicContact CB-CG2 4.45Å; F184-V192 HydrophobicContact CD1-CG1 3.85Å; F184-V192 HydrophobicContact CD1-CG2 4.25Å; F184-V192 HydrophobicContact CE1-CG1 4.26Å; V190-V192 VanDerWaalsContact C-N 3.34Å; V190-V192 HydrophobicContact CG1-CG2 3.51Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 3.31Å
193A89.5Confident90.9Very high27 Ų2741.3 Ų41.322%0.22325%0.253CS..SBendtrans-66.7-32.8176.900000112K116 F117K116-A193 PolarHBondContact O-N 2.8Å; F117-A193 HydrophobicContact CD1-CB 4.38Å; F117-A193 HydrophobicContact CE1-CB 4.03Å
194G92.3Very high90.8Very high0 Ų039.5 Ų39.50%024%0.243CC..EExtended strand (participates in β ladder)trans-160.4164.4176.300000112F117 G118 V192F117-G194 WeakPolarHBondContact CA-O 3.36Å; G118-G194 PolarHBondContact N-O 3.24Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 3.31Å
195L94.9Very high90.6Very high0 Ų041.3 Ų41.30%025%0.254CS..EExtended strand (participates in β ladder)trans-126135.2-175.5-167.973000110.3G118 I120 F184 L197 F213 L217 K220 V221 L222G118-L195 CarbonylContact O-C 3.45Å; G118-L195 WeakPolarHBondContact O-CA 3.49Å; I120-L195 HydrophobicContact CD1-CD1 4.21Å; I120-L195 HydrophobicContact CD1-CD2 3.93Å; I120-L195 HydrophobicContact CD1-CG 4.45Å; I120-L195 HydrophobicContact CG1-CD1 4.14Å; F184-L195 HydrophobicContact CD2-CD1 3.94Å; F184-L195 HydrophobicContact CE2-CD1 3.81Å; F184-L195 HydrophobicContact CG-CD1 4.36Å; F184-L195 HydrophobicContact CZ-CD1 4.14Å; L195-L197 HydrophobicContact CD2-CD2 3.94Å; L195-L197 HydrophobicContact CG-CD2 4.26Å; L195-F213 HydrophobicContact CD2-CE1 4.24Å; L195-F213 HydrophobicContact CD2-CZ 3.63Å; L195-L217 HydrophobicContact CD2-CB 4.45Å; L195-K220 PolarHBondContact N-O 3.22Å; L195-V221 HydrophobicContact CD2-CG2 4.17Å; L195-V221 CarbonylContact O-C 3.58Å; L195-V221 WeakPolarHBondContact O-CA 3.11Å; L195-L222 PolarHBondContact O-N 3.3Å
196V95.9Very high90.4Very high1 Ų143.7 Ų43.71%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-113.2126.9173.5179.10000108.7G118 F119 I120 V225 L246G118-V196 PolarHBondContact O-N 2.9Å; F119-V196 WeakPolarHBondContact CA-O 3.32Å; F119-V196 HydrophobicContact CD1-CB 3.82Å; F119-V196 HydrophobicContact CD1-CG1 4.04Å; F119-V196 HydrophobicContact CE1-CB 3.88Å; F119-V196 HydrophobicContact CE1-CG1 3.98Å; F119-V196 HydrophobicContact CE1-CG2 4.13Å; F119-V196 HydrophobicContact CG-CB 4.35Å; F119-V196 HydrophobicContact CZ-CB 4.45Å; F119-V196 HydrophobicContact CZ-CG2 4.28Å; I120-V196 PolarHBondContact N-O 2.79Å; V196-V225 HydrophobicContact CG1-CG2 3.62Å; V196-L246 HydrophobicContact CG2-CD2 4.17Å
197L96Very high90.5Very high0 Ų040.4 Ų40.40%024%0.242CC..EExtended strand (participates in β ladder)trans-100.9114.9172.6-52.5-179.7000108.2I120 L195 K204 L207 V221 K223 L224 V225I120-L197 HydrophobicContact CB-CD2 3.75Å; I120-L197 HydrophobicContact CD1-CD2 3.75Å; I120-L197 HydrophobicContact CG1-CD2 4.05Å; I120-L197 HydrophobicContact CG2-CD2 4.45Å; L195-L197 HydrophobicContact CD2-CD2 3.94Å; L195-L197 HydrophobicContact CG-CD2 4.26Å; L197-K204 HydrophobicContact CB-CB 4.24Å; L197-L207 HydrophobicContact CD1-CD2 4.4Å; L197-L207 HydrophobicContact CD2-CD2 4.14Å; L197-V221 HydrophobicContact CD1-CG1 4.13Å; L197-V221 HydrophobicContact CD1-CG2 4.1Å; L197-V221 HydrophobicContact CG-CG1 4.16Å; L197-V221 HydrophobicContact CG-CG2 4.31Å; L197-K223 PolarHBondContact N-O 3.32Å; L197-K223 VanDerWaalsContact N-O 3.13Å; L197-L224 HydrophobicContact CB-CD2 3.66Å; L197-L224 HydrophobicContact CD1-CD2 3.73Å; L197-L224 HydrophobicContact CG-CD2 4.06Å; L197-L224 CarbonylContact O-C 3.49Å; L197-L224 VanDerWaalsContact O-CA 3.32Å; L197-L224 WeakPolarHBondContact O-CA 3.32Å; L197-V225 PolarHBondContact O-N 2.82Å
198A96.1Very high90.8Very high0 Ų037.5 Ų37.50%021%0.209CC..EExtended strand (participates in β ladder)trans-115.3143.917900000109.8I120 V121 I122 V225 I227 A238I120-A198 PolarHBondContact O-N 2.83Å; V121-A198 CarbonylContact C-O 3.57Å; V121-A198 VanDerWaalsContact CA-O 3.28Å; V121-A198 WeakPolarHBondContact CA-O 3.47Å; V121-A198 HydrophobicContact CG2-CB 4.29Å; I122-A198 PolarHBondContact N-O 3.43Å; A198-V225 WeakPolarHBondContact CA-O 3.4Å; A198-V225 HydrophobicContact CB-CB 4.08Å; A198-I227 HydrophobicContact CB-CD1 3.97Å; A198-I227 HydrophobicContact CB-CG2 4.24Å; A198-A238 HydrophobicContact CB-CB 3.51Å
199G92.9Very high90.9Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans178.7161.3178.100000113.5I122 K204 V225 I227I122-G199 WeakPolarHBondContact O-CA 3.27Å; G199-K204 PolarHBondContact O-NZ 3.25Å; G199-V225 PolarHBondContact N-O 3.16Å; G199-I227 PolarHBondContact O-N 3.16Å
200S80.7Confident90.9Very high39 Ų3931.6 Ų31.627%0.27318%0.182SC..SBendtrans-84.1139170.377.60000109.3D123D123-S200 PolarHBondContact OD1-OG 2.95Å
201A79.6Confident90.8Very high64 Ų6438.5 Ų38.553%0.52922%0.219SC..THydrogen-bonded Turntrans59.6-166.3-177.800000114.8F203A201-F203 PolarHBondContact O-N 2.98Å
202D87.2Confident90.8Very high119 Ų11938 Ų3864%0.63622%0.215SC*.THydrogen-bonded Turntrans-76.31.6-168.9-57.8-42.7000115K204 T205 E206D202-K204 VanDerWaalsContact C-N 3.3Å; D202-K204 PolarHBondContact O-N 3.49Å; D202-T205 WeakPolarHBondContact O-CA 3.42Å; D202-T205 WeakPolarHBondContact O-CB 3.21Å; D202-T205 PolarHBondContact O-N 3.1Å; D202-E206 PolarHBondContact O-N 3.09Å
203F88.5Confident91Very high15 Ų1538 Ų387%0.06621%0.214CC..Hα-helixtrans-60.9-36-176.4-85.1-61.9000113.6I122 L147 R169 V173 A201 T205 E206 L207I122-F203 HydrophobicContact CD1-CB 4.05Å; I122-F203 HydrophobicContact CG1-CB 4.18Å; I122-F203 HydrophobicContact CG2-CB 4.12Å; L147-F203 HydrophobicContact CD1-CZ 4.02Å; R169-F203 HydrophobicContact CB-CE1 4.06Å; R169-F203 HydrophobicContact CG-CE1 3.8Å; R169-F203 HydrophobicContact CG-CZ 3.84Å; V173-F203 HydrophobicContact CG2-CD1 4.42Å; A201-F203 PolarHBondContact O-N 2.98Å; F203-T205 VanDerWaalsContact C-N 3.3Å; F203-E206 PolarHBondContact O-N 3.16Å; F203-L207 PolarHBondContact O-N 3.38Å
204K91.6Very high91.2Very high5 Ų538.5 Ų38.52%0.02221%0.213CC..Hα-helixtrans-68.8-31.7175.667.9-175.4174-123.10112.3I122 L197 G199 D202 S208 L224 V225 D226I122-K204 HydrophobicContact CG2-CB 3.92Å; L197-K204 HydrophobicContact CB-CB 4.24Å; G199-K204 PolarHBondContact O-NZ 3.25Å; D202-K204 VanDerWaalsContact C-N 3.3Å; D202-K204 PolarHBondContact O-N 3.49Å; K204-S208 WeakPolarHBondContact O-CB 3.39Å; K204-S208 PolarHBondContact O-N 3.45Å; K204-L224 HydrophobicContact CD-CB 4.1Å; K204-V225 WeakPolarHBondContact CD-O 3.43Å; K204-V225 WeakPolarHBondContact CE-O 3.37Å; K204-V225 VanDerWaalsContact NZ-C 3.28Å; K204-V225 PolarHBondContact NZ-O 3.31Å; K204-D226 IonicContact NZ-OD1 3.32Å; K204-D226 PolarHBondContact NZ-OD1 3.16Å; K204-D226 IonicContact NZ-OD2 3.93Å
205T91.8Very high91.2Very high38 Ų3844.7 Ų44.723%0.23324%0.242CC..Hα-helixtrans-72.2-44.6176.9-48.80000109.6D202 F203 L207 S208 Q209D202-T205 WeakPolarHBondContact O-CA 3.42Å; D202-T205 WeakPolarHBondContact O-CB 3.21Å; D202-T205 PolarHBondContact O-N 3.1Å; F203-T205 VanDerWaalsContact C-N 3.3Å; T205-L207 VanDerWaalsContact C-N 3.33Å; T205-L207 PolarHBondContact O-N 3.1Å; T205-S208 PolarHBondContact O-N 2.94Å; T205-Q209 HydrophobicContact CG2-CG 4.43Å; T205-Q209 WeakPolarHBondContact O-CB 3.27Å; T205-Q209 WeakPolarHBondContact O-CG 3.31Å; T205-Q209 PolarHBondContact O-N 2.83Å
206E90.8Very high91.2Very high71 Ų7149 Ų4933%0.33226%0.258SS..Hα-helixtrans-57-45.4172.6-73.2-177.4178.900111.2D202 F203 S210D202-E206 PolarHBondContact O-N 3.09Å; F203-E206 PolarHBondContact O-N 3.16Å; E206-S210 WeakPolarHBondContact O-CB 3.35Å; E206-S210 PolarHBondContact O-N 3.22Å; E206-S210 PolarHBondContact O-OG 3.48Å
207L92.3Very high91Very high0 Ų048.9 Ų48.90%026%0.258CS..Hα-helixtrans-62.1-48.5176.6-178.667.1000111.7I120 V173 V176 A177 L197 F203 T205 Q209 S210 F213I120-L207 HydrophobicContact CG2-CD2 4.23Å; V173-L207 HydrophobicContact CG1-CB 4.23Å; V173-L207 HydrophobicContact CG1-CD1 3.74Å; V176-L207 HydrophobicContact CG1-CD1 4.28Å; V176-L207 HydrophobicContact CG1-CD2 3.84Å; A177-L207 HydrophobicContact CB-CD1 3.98Å; L197-L207 HydrophobicContact CD1-CD2 4.4Å; L197-L207 HydrophobicContact CD2-CD2 4.14Å; F203-L207 PolarHBondContact O-N 3.38Å; T205-L207 VanDerWaalsContact C-N 3.33Å; T205-L207 PolarHBondContact O-N 3.1Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; L207-Q209 PolarHBondContact O-N 2.86Å; L207-S210 PolarHBondContact O-N 3.35Å; L207-S210 PolarHBondContact O-OG 2.96Å; L207-F213 HydrophobicContact CD1-CD2 3.99Å; L207-F213 HydrophobicContact CD1-CG 4.48Å; L207-F213 HydrophobicContact CG-CD2 4.33Å; L207-F213 WeakPolarHBondContact O-CB 3.47Å
208S93.3Very high90.9Very high20 Ų2051.4 Ų51.414%0.1427%0.27CS..Hα-helixtrans-64.4-35.6-176.9-168.10000113.4K204 T205 Q218K204-S208 WeakPolarHBondContact O-CB 3.39Å; K204-S208 PolarHBondContact O-N 3.45Å; T205-S208 PolarHBondContact O-N 2.94Å; S208-Q218 PolarHBondContact O-NE2 3.31Å
209Q91.1Very high90.7Very high146 Ų14655.5 Ų55.568%0.68230%0.298SS*.Hα-helixtrans-91.7-9.4-178.5-66.5177.4-8.600113.2T205 L207T205-Q209 HydrophobicContact CG2-CG 4.43Å; T205-Q209 WeakPolarHBondContact O-CB 3.27Å; T205-Q209 WeakPolarHBondContact O-CG 3.31Å; T205-Q209 PolarHBondContact O-N 2.83Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; L207-Q209 PolarHBondContact O-N 2.86Å
210S90.1Very high90.7Very high19 Ų1959.5 Ų59.513%0.13332%0.316CS..  trans-74.6138.4-177.767.50000112.6E206 L207 M212 F213E206-S210 WeakPolarHBondContact O-CB 3.35Å; E206-S210 PolarHBondContact O-N 3.22Å; E206-S210 PolarHBondContact O-OG 3.48Å; L207-S210 PolarHBondContact O-N 3.35Å; L207-S210 PolarHBondContact O-OG 2.96Å; S210-M212 PolarHBondContact O-N 3.46Å; S210-M212 VanDerWaalsContact O-N 3.11Å; S210-F213 PolarHBondContact O-N 3.09Å; S210-F213 VanDerWaalsContact O-N 3.14Å
211D90.4Very high91.3Very high172 Ų17259.3 Ų59.392%0.9231%0.312SS*.THydrogen-bonded Turntrans-64.9-11.6170.9-55.4-36.1000113F213D211-F213 VanDerWaalsContact C-N 3.31Å
212M91.3Very high91.9Very high57 Ų5759.5 Ų59.528%0.28130%0.304SS..THydrogen-bonded Turntrans-77.5-19.5176.9-64.1-176.1-70.600112.5H170 V173 R174 S210H170-M212 PolarHBondContact CE1-SD 3.14Å; H170-M212 VanDerWaalsContact NE2-CE 3.28Å; H170-M212 WeakPolarHBondContact NE2-CE 3.17Å; H170-M212 PolarHBondContact NE2-SD 2.83Å; V173-M212 HydrophobicContact CB-CE 4.29Å; V173-M212 HydrophobicContact CG1-CE 3.95Å; R174-M212 HydrophobicContact CB-SD 3.73Å; R174-M212 HydrophobicContact CG-SD 4.14Å; S210-M212 PolarHBondContact O-N 3.46Å; S210-M212 VanDerWaalsContact O-N 3.11Å
213F94.3Very high92.2Very high5 Ų557 Ų572%0.02229%0.288CS..SBendtrans-83.3128.2179-165.4-123.7000109.7I120 A177 A180 L195 L207 S210 D211 Q215 L217 Q218 V221I120-F213 HydrophobicContact CD1-CE2 4.38Å; I120-F213 HydrophobicContact CD1-CZ 4.44Å; A177-F213 HydrophobicContact CB-CD2 3.98Å; A180-F213 HydrophobicContact CB-CE2 3.97Å; L195-F213 HydrophobicContact CD2-CE1 4.24Å; L195-F213 HydrophobicContact CD2-CZ 3.63Å; L207-F213 HydrophobicContact CD1-CD2 3.99Å; L207-F213 HydrophobicContact CD1-CG 4.48Å; L207-F213 HydrophobicContact CG-CD2 4.33Å; L207-F213 WeakPolarHBondContact O-CB 3.47Å; S210-F213 PolarHBondContact O-N 3.09Å; S210-F213 VanDerWaalsContact O-N 3.14Å; D211-F213 VanDerWaalsContact C-N 3.31Å; F213-Q215 PolarHBondContact O-N 3.16Å; F213-L217 HydrophobicContact CE1-CB 3.76Å; F213-L217 HydrophobicContact CE2-CB 4.18Å; F213-L217 HydrophobicContact CE2-CD1 4.08Å; F213-L217 HydrophobicContact CZ-CB 3.51Å; F213-L217 HydrophobicContact CZ-CD1 4.15Å; F213-L217 HydrophobicContact CZ-CG 4.48Å; F213-Q218 HydrophobicContact CD1-CB 3.81Å; F213-Q218 HydrophobicContact CD1-CG 4.15Å; F213-Q218 HydrophobicContact CE1-CB 4.18Å; F213-V221 HydrophobicContact CE1-CG2 3.94Å
214D94.1Very high92.5Very high38 Ų3859.3 Ų59.320%0.20330%0.301CS..  trans-59.5125.8-176.1-171.9-46.9000110.3V181 R216 L217 Q218V181-D214 HydrophobicContact CG2-CB 3.65Å; D214-R216 PolarHBondContact O-N 3.3Å; D214-R216 VanDerWaalsContact O-N 3.08Å; D214-R216 VanDerWaalsContact OD1-CB 3.24Å; D214-R216 WeakPolarHBondContact OD1-CB 3.39Å; D214-R216 WeakPolarHBondContact OD1-CG 3.38Å; D214-R216 PolarHBondContact OD1-N 2.89Å; D214-R216 IonicContact OD1-NE 3.98Å; D214-R216 PolarHBondContact OD1-NE 2.99Å; D214-R216 VanDerWaalsContact OD1-NE 3.16Å; D214-R216 IonicContact OD2-CZ 2.76Å; D214-R216 IonicContact OD2-NE 2.63Å; D214-R216 PolarHBondContact OD2-NE 3.43Å; D214-R216 IonicContact OD2-NH2 2.65Å; D214-R216 PolarHBondContact OD2-NH2 2.88Å; D214-L217 PolarHBondContact O-N 3.19Å; D214-Q218 PolarHBondContact O-N 2.97Å
215Q93.3Very high92.6Very high130 Ų13059.3 Ų59.361%0.60730%0.301SS*.Hα-helixtrans-53.7-32.3-177.7-170.966.152.900112.6F213 Q218 S219F213-Q215 PolarHBondContact O-N 3.16Å; Q215-Q218 PolarHBondContact O-N 2.91Å; Q215-S219 WeakPolarHBondContact O-CB 3.43Å; Q215-S219 PolarHBondContact O-N 2.98Å
216R93.4Very high92.8Very high89 Ų8963 Ų6334%0.33632%0.319SS..Hα-helixtrans-63.3-43.6177.2-63.1177-72.3-174.1-6.3110.9D188 V190 D214 S219D188-R216 PolarHBondContact O-NH1 3.48Å; D188-R216 IonicContact OD1-CZ 2.92Å; D188-R216 IonicContact OD1-NH1 3.66Å; D188-R216 PolarHBondContact OD1-NH1 3.28Å; D188-R216 IonicContact OD1-NH2 3.67Å; V190-R216 HydrophobicContact CG2-CB 4.04Å; D214-R216 PolarHBondContact O-N 3.3Å; D214-R216 VanDerWaalsContact O-N 3.08Å; D214-R216 VanDerWaalsContact OD1-CB 3.24Å; D214-R216 WeakPolarHBondContact OD1-CB 3.39Å; D214-R216 WeakPolarHBondContact OD1-CG 3.38Å; D214-R216 PolarHBondContact OD1-N 2.89Å; D214-R216 IonicContact OD1-NE 3.98Å; D214-R216 PolarHBondContact OD1-NE 2.99Å; D214-R216 VanDerWaalsContact OD1-NE 3.16Å; D214-R216 IonicContact OD2-CZ 2.76Å; D214-R216 IonicContact OD2-NE 2.63Å; D214-R216 PolarHBondContact OD2-NE 3.43Å; D214-R216 IonicContact OD2-NH2 2.65Å; D214-R216 PolarHBondContact OD2-NH2 2.88Å; R216-S219 PolarHBondContact O-OG 3.11Å
217L93.4Very high92.9Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-73.4-39.3175.8-66.8176.4000111.4A180 V181 F184 I185 V190 L195 F213 D214 S219 K220 V221A180-L217 HydrophobicContact CB-CD1 3.98Å; V181-L217 HydrophobicContact CG2-CD1 4.02Å; F184-L217 HydrophobicContact CB-CD2 3.7Å; I185-L217 HydrophobicContact CD1-CD1 4.31Å; I185-L217 HydrophobicContact CD1-CD2 4.47Å; I185-L217 HydrophobicContact CD1-CG 4.08Å; I185-L217 HydrophobicContact CG1-CD1 4.33Å; I185-L217 HydrophobicContact CG1-CD2 4.04Å; I185-L217 HydrophobicContact CG1-CG 4.16Å; V190-L217 HydrophobicContact CB-CD2 4.44Å; V190-L217 HydrophobicContact CG1-CD2 3.77Å; V190-L217 HydrophobicContact CG2-CD2 3.85Å; L195-L217 HydrophobicContact CD2-CB 4.45Å; F213-L217 HydrophobicContact CE1-CB 3.76Å; F213-L217 HydrophobicContact CE2-CB 4.18Å; F213-L217 HydrophobicContact CE2-CD1 4.08Å; F213-L217 HydrophobicContact CZ-CB 3.51Å; F213-L217 HydrophobicContact CZ-CD1 4.15Å; F213-L217 HydrophobicContact CZ-CG 4.48Å; D214-L217 PolarHBondContact O-N 3.19Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 2.92Å; L217-K220 CarbonylContact O-C 3.48Å; L217-K220 WeakPolarHBondContact O-CA 3.3Å; L217-K220 WeakPolarHBondContact O-CB 3.34Å; L217-K220 PolarHBondContact O-N 3.31Å; L217-V221 PolarHBondContact O-N 3.15Å
218Q93.6Very high92.8Very high53 Ų5364.3 Ų64.325%0.24834%0.335CS..Hα-helixtrans-58.9-41.7178.1-161.1-176.311.600111.9S208 F213 D214 Q215 K220 V221S208-Q218 PolarHBondContact O-NE2 3.31Å; F213-Q218 HydrophobicContact CD1-CB 3.81Å; F213-Q218 HydrophobicContact CD1-CG 4.15Å; F213-Q218 HydrophobicContact CE1-CB 4.18Å; D214-Q218 PolarHBondContact O-N 2.97Å; Q215-Q218 PolarHBondContact O-N 2.91Å; Q218-K220 PolarHBondContact O-N 3.48Å; Q218-K220 VanDerWaalsContact O-N 3.12Å; Q218-V221 WeakPolarHBondContact O-CB 3.24Å; Q218-V221 PolarHBondContact O-N 2.86Å; Q218-V221 VanDerWaalsContact O-N 3.08Å
219S91.2Very high92.5Very high86 Ų8670.9 Ų70.960%0.60136%0.358SS*.THydrogen-bonded Turntrans-62.8-17.9175.7760000114.1Q215 R216 L217Q215-S219 WeakPolarHBondContact O-CB 3.43Å; Q215-S219 PolarHBondContact O-N 2.98Å; R216-S219 PolarHBondContact O-OG 3.11Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 2.92Å
220K92.3Very high92.3Very high84 Ų8465.1 Ų65.137%0.36534%0.338SS..THydrogen-bonded Turntrans-101.31.1179.3-65.5-63.3-171.1171.90113V190 L195 L217 Q218 L222V190-K220 HydrophobicContact CG1-CG 4.45Å; L195-K220 PolarHBondContact N-O 3.22Å; L217-K220 CarbonylContact O-C 3.48Å; L217-K220 WeakPolarHBondContact O-CA 3.3Å; L217-K220 WeakPolarHBondContact O-CB 3.34Å; L217-K220 PolarHBondContact O-N 3.31Å; Q218-K220 PolarHBondContact O-N 3.48Å; Q218-K220 VanDerWaalsContact O-N 3.12Å; K220-L222 PolarHBondContact O-N 3.48Å
221V93.9Very high92.3Very high34 Ų3465.8 Ų65.821%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-69.9114.3175178.10000109.3L195 L197 F213 L217 Q218 L224L195-V221 HydrophobicContact CD2-CG2 4.17Å; L195-V221 CarbonylContact O-C 3.58Å; L195-V221 WeakPolarHBondContact O-CA 3.11Å; L197-V221 HydrophobicContact CD1-CG1 4.13Å; L197-V221 HydrophobicContact CD1-CG2 4.1Å; L197-V221 HydrophobicContact CG-CG1 4.16Å; L197-V221 HydrophobicContact CG-CG2 4.31Å; F213-V221 HydrophobicContact CE1-CG2 3.94Å; L217-V221 PolarHBondContact O-N 3.15Å; Q218-V221 WeakPolarHBondContact O-CB 3.24Å; Q218-V221 PolarHBondContact O-N 2.86Å; Q218-V221 VanDerWaalsContact O-N 3.08Å; V221-L224 HydrophobicContact CG1-CD2 4.13Å
222L92.3Very high92.3Very high69 Ų6961.5 Ų61.536%0.36132%0.322SS..EExtended strand (participates in β ladder)trans-89.7-45.6-178.6-67.6171.5000112.2F117 L195 K220 V245 L246 V249F117-L222 HydrophobicContact CD1-CD1 4.29Å; F117-L222 HydrophobicContact CE1-CD1 4.18Å; L195-L222 PolarHBondContact O-N 3.3Å; K220-L222 PolarHBondContact O-N 3.48Å; L222-V245 HydrophobicContact CB-CG1 4.15Å; L222-L246 HydrophobicContact CD1-CD2 4.12Å; L222-V249 HydrophobicContact CD1-CG2 3.55Å; L222-V249 HydrophobicContact CD2-CG2 4.16Å
223K93.4Very high92.3Very high66 Ų6664.5 Ų64.529%0.28734%0.339SS..EExtended strand (participates in β ladder)trans-148.1141-172.6-164.1179.7-171172.60111L197 V225 L241 V245L197-K223 PolarHBondContact N-O 3.32Å; L197-K223 VanDerWaalsContact N-O 3.13Å; K223-V225 HydrophobicContact CB-CG2 4.41Å; K223-V225 HydrophobicContact CD-CG2 3.92Å; K223-V225 HydrophobicContact CG-CG2 4Å; K223-L241 PolarHBondContact NZ-O 3.16Å; K223-V245 HydrophobicContact CB-CG1 4.46Å; K223-V245 HydrophobicContact CD-CB 4.33Å; K223-V245 HydrophobicContact CD-CG2 3.78Å
224L94.6Very high92.2Very high64 Ų6464.2 Ų64.234%0.33534%0.338SS..EExtended strand (participates in β ladder)trans-95.9124.7163.7-57.1-177.1000108.2L197 K204 V221L197-L224 HydrophobicContact CB-CD2 3.66Å; L197-L224 HydrophobicContact CD1-CD2 3.73Å; L197-L224 HydrophobicContact CG-CD2 4.06Å; L197-L224 CarbonylContact O-C 3.49Å; L197-L224 VanDerWaalsContact O-CA 3.32Å; L197-L224 WeakPolarHBondContact O-CA 3.32Å; K204-L224 HydrophobicContact CD-CB 4.1Å; V221-L224 HydrophobicContact CG1-CD2 4.13Å
225V94.9Very high92.2Very high5 Ų562.5 Ų62.53%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-115.5126-175-174.60000110.7V196 L197 A198 G199 K204 K223 I227 L241 S242V196-V225 HydrophobicContact CG1-CG2 3.62Å; L197-V225 PolarHBondContact O-N 2.82Å; A198-V225 WeakPolarHBondContact CA-O 3.4Å; A198-V225 HydrophobicContact CB-CB 4.08Å; G199-V225 PolarHBondContact N-O 3.16Å; K204-V225 WeakPolarHBondContact CD-O 3.43Å; K204-V225 WeakPolarHBondContact CE-O 3.37Å; K204-V225 VanDerWaalsContact NZ-C 3.28Å; K204-V225 PolarHBondContact NZ-O 3.31Å; K223-V225 HydrophobicContact CB-CG2 4.41Å; K223-V225 HydrophobicContact CD-CG2 3.92Å; K223-V225 HydrophobicContact CG-CG2 4Å; V225-I227 HydrophobicContact CG1-CG2 3.89Å; V225-L241 HydrophobicContact CG1-CB 3.79Å; V225-L241 HydrophobicContact CG1-CD1 3.65Å; V225-L241 HydrophobicContact CG1-CG 4.39Å; V225-S242 WeakPolarHBondContact CG2-OG 3.28Å
226D94.1Very high92.2Very high115 Ų11558.8 Ų58.862%0.61531%0.313SS*.EExtended strand (participates in β ladder)trans-78.9119.6167.4-71-71000110.3K204 L241K204-D226 IonicContact NZ-OD1 3.32Å; K204-D226 PolarHBondContact NZ-OD1 3.16Å; K204-D226 IonicContact NZ-OD2 3.93Å; D226-L241 WeakPolarHBondContact O-CD1 3.28Å
227I94.3Very high92.2Very high9 Ų957 Ų575%0.04631%0.308CS..  trans-124.4149.8177.459.5176.9000110V121 A198 G199 V225 Y229 Q237 A238 L241V121-I227 HydrophobicContact CG1-CD1 3.57Å; A198-I227 HydrophobicContact CB-CD1 3.97Å; A198-I227 HydrophobicContact CB-CG2 4.24Å; G199-I227 PolarHBondContact O-N 3.16Å; V225-I227 HydrophobicContact CG1-CG2 3.89Å; I227-Y229 WeakPolarHBondContact CD1-O 3.46Å; I227-Q237 HydrophobicContact CG2-CB 4.34Å; I227-Q237 HydrophobicContact CG2-CG 4.28Å; I227-A238 HydrophobicContact CG2-CB 4.05Å; I227-L241 HydrophobicContact CG2-CD1 4.5Å
228S89.8Confident92.2Very high89 Ų8957 Ų5762%0.62231%0.308SS*.SBendtrans-85.3-25.7-176.7-51.50000112.5
229Y87.3Confident92.2Very high159 Ų15955.9 Ų55.962%0.62430%0.304SS*.SBendtrans-122.8147.9-175-56.3-76000111I227 G234I227-Y229 WeakPolarHBondContact CD1-O 3.46Å; Y229-G234 WeakPolarHBondContact O-CA 3.46Å
230G86.1Confident92.2Very high25 Ų2558.9 Ų58.926%0.25831%0.308SS..  trans-89.3177.6171.300000113.3G234G230-G234 PolarHBondContact O-N 2.93Å
231G89.6Confident92.2Very high32 Ų3258.7 Ų58.733%0.3331%0.311SS..Hα-helixtrans66.4-146.7174.200000114.3N233 G234 F235G231-N233 PolarHBondContact O-N 2.98Å; G231-G234 PolarHBondContact O-N 3.11Å; G231-F235 PolarHBondContact O-N 3.14Å
232E91.5Very high92.1Very high83 Ų8357.1 Ų57.139%0.38830%0.301SS..Hα-helixtrans-69.5-31.7-173.9-71.6178-153.800113.4L128 V139 K142 F235 N236L128-E232 HydrophobicContact CD1-CB 4.37Å; L128-E232 HydrophobicContact CD1-CG 3.55Å; V139-E232 HydrophobicContact CG2-CG 4.31Å; K142-E232 IonicContact NZ-OE1 3.49Å; K142-E232 PolarHBondContact NZ-OE1 3.23Å; E232-F235 WeakPolarHBondContact O-CB 3.46Å; E232-F235 PolarHBondContact O-N 3.25Å; E232-N236 PolarHBondContact O-N 2.84Å; E232-N236 PolarHBondContact O-ND2 3.4Å
233N91.6Very high91.9Very high119 Ų11957.7 Ų57.764%0.63631%0.308SS*.Hα-helixtrans-69.6-42.2175.5-66.8-24.8000110.8G231 F235 N236 Q237G231-N233 PolarHBondContact O-N 2.98Å; N233-F235 VanDerWaalsContact C-N 3.27Å; N233-F235 PolarHBondContact O-N 3.09Å; N233-N236 PolarHBondContact O-N 3.04Å; N233-Q237 PolarHBondContact O-N 3.27Å
234G92.1Very high91.7Very high0 Ų061.1 Ų61.10%033%0.325CS..Hα-helixtrans-60.4-36.717200000113.2Y229 G230 G231 N236 Q237 A238Y229-G234 WeakPolarHBondContact O-CA 3.46Å; G230-G234 PolarHBondContact O-N 2.93Å; G231-G234 PolarHBondContact O-N 3.11Å; G234-N236 PolarHBondContact O-N 3.36Å; G234-Q237 PolarHBondContact O-N 3.45Å; G234-A238 WeakPolarHBondContact O-CB 3.29Å; G234-A238 PolarHBondContact O-N 2.87Å
235F94.2Very high91.4Very high2 Ų260 Ų601%0.00932%0.321CS..Hα-helixtrans-61.4-42.2175.8180-141.5000112.3F119 V121 L128 R137 V139 G231 E232 N233 A238 I239F119-F235 HydrophobicContact CB-CD2 3.82Å; F119-F235 HydrophobicContact CB-CE2 3.42Å; F119-F235 VanDerWaalsContact CB-CE2 3.42Å; F119-F235 HydrophobicContact CB-CZ 4.47Å; F119-F235 HydrophobicContact CD1-CD2 4.17Å; F119-F235 HydrophobicContact CD1-CE2 4Å; F119-F235 AromaticContact CD2-CE2 3.75Å; F119-F235 HydrophobicContact CD2-CE2 3.75Å; F119-F235 HydrophobicContact CE2-CE2 4.48Å; F119-F235 HydrophobicContact CG-CD2 4Å; F119-F235 AromaticContact CG-CE2 3.47Å; F119-F235 HydrophobicContact CG-CE2 3.47Å; F119-F235 VanDerWaalsContact CG-CE2 3.47Å; V121-F235 HydrophobicContact CG2-CB 4.01Å; V121-F235 HydrophobicContact CG2-CD2 4.28Å; L128-F235 HydrophobicContact CD2-CB 4.13Å; L128-F235 HydrophobicContact CD2-CD1 4.15Å; L128-F235 HydrophobicContact CD2-CG 4.02Å; R137-F235 HydrophobicContact CB-CE1 4.06Å; R137-F235 HydrophobicContact CB-CZ 4.33Å; V139-F235 HydrophobicContact CG2-CD1 4.29Å; V139-F235 HydrophobicContact CG2-CE1 4.26Å; G231-F235 PolarHBondContact O-N 3.14Å; E232-F235 WeakPolarHBondContact O-CB 3.46Å; E232-F235 PolarHBondContact O-N 3.25Å; N233-F235 VanDerWaalsContact C-N 3.27Å; N233-F235 PolarHBondContact O-N 3.09Å; F235-A238 PolarHBondContact O-N 3.1Å; F235-I239 HydrophobicContact CD1-CD1 4.44Å; F235-I239 HydrophobicContact CD2-CD1 4.03Å; F235-I239 HydrophobicContact CD2-CG1 4.22Å; F235-I239 HydrophobicContact CE1-CD1 4.2Å; F235-I239 HydrophobicContact CE2-CD1 3.71Å; F235-I239 HydrophobicContact CE2-CG1 3.96Å; F235-I239 HydrophobicContact CG-CD1 4.38Å; F235-I239 HydrophobicContact CZ-CD1 3.83Å; F235-I239 VanDerWaalsContact O-CG1 3.31Å; F235-I239 WeakPolarHBondContact O-CG1 3.06Å; F235-I239 PolarHBondContact O-N 2.83Å
236N92.3Very high90.9Very high52 Ų5260.7 Ų60.728%0.27832%0.324SS..Hα-helixtrans-65.8-42.5176.9-61.1-31.1000112.3R137 E232 N233 G234 A238 I239 E240R137-N236 PolarHBondContact NH1-ND2 3.42Å; R137-N236 VanDerWaalsContact NH1-ND2 3.17Å; R137-N236 PolarHBondContact NH1-OD1 2.95Å; E232-N236 PolarHBondContact O-N 2.84Å; E232-N236 PolarHBondContact O-ND2 3.4Å; N233-N236 PolarHBondContact O-N 3.04Å; G234-N236 PolarHBondContact O-N 3.36Å; N236-A238 VanDerWaalsContact C-N 3.3Å; N236-A238 PolarHBondContact O-N 2.98Å; N236-I239 PolarHBondContact O-N 2.94Å; N236-E240 PolarHBondContact O-N 2.92Å; N236-E240 VanDerWaalsContact O-N 3.12Å
237Q93.3Very high90.4Very high50 Ų5058.8 Ų58.823%0.23432%0.32CS..Hα-helixtrans-62.6-40.3175.8-170.2-179.417.800111.4I227 N233 G234 I239 E240 L241I227-Q237 HydrophobicContact CG2-CB 4.34Å; I227-Q237 HydrophobicContact CG2-CG 4.28Å; N233-Q237 PolarHBondContact O-N 3.27Å; G234-Q237 PolarHBondContact O-N 3.45Å; Q237-I239 VanDerWaalsContact C-N 3.34Å; Q237-I239 PolarHBondContact O-N 2.85Å; Q237-E240 PolarHBondContact O-N 2.92Å; Q237-L241 HydrophobicContact CG-CD1 4.09Å; Q237-L241 WeakPolarHBondContact O-CG 3.45Å; Q237-L241 PolarHBondContact O-N 2.93Å; Q237-L241 VanDerWaalsContact O-N 3.08Å
238A94.1Very high89.9Confident0 Ų061.7 Ų61.70%034%0.336CS..Hα-helixtrans-63.4-39.717700000112.1F119 A198 I227 G234 F235 N236 S242F119-A238 HydrophobicContact CD1-CB 4.12Å; F119-A238 HydrophobicContact CE1-CB 4.19Å; A198-A238 HydrophobicContact CB-CB 3.51Å; I227-A238 HydrophobicContact CG2-CB 4.05Å; G234-A238 WeakPolarHBondContact O-CB 3.29Å; G234-A238 PolarHBondContact O-N 2.87Å; F235-A238 PolarHBondContact O-N 3.1Å; N236-A238 VanDerWaalsContact C-N 3.3Å; N236-A238 PolarHBondContact O-N 2.98Å; A238-S242 WeakPolarHBondContact O-CB 3.23Å; A238-S242 PolarHBondContact O-N 3.04Å; A238-S242 VanDerWaalsContact O-N 3.11Å; A238-S242 PolarHBondContact O-OG 2.81Å
239I92.8Very high89.6Confident30 Ų3057.9 Ų57.915%0.15431%0.309CS..Hα-helixtrans-60.2-51.8175.6-69.3162.3000109.7F119 L132 R137 F235 N236 Q237 L241 S242 T243F119-I239 HydrophobicContact CE1-CG1 3.92Å; F119-I239 HydrophobicContact CE2-CG1 4.22Å; F119-I239 HydrophobicContact CZ-CB 4.41Å; F119-I239 HydrophobicContact CZ-CG1 3.73Å; L132-I239 HydrophobicContact CD1-CD1 4.08Å; L132-I239 HydrophobicContact CD1-CG1 4.43Å; L132-I239 HydrophobicContact CD1-CG2 4.29Å; L132-I239 HydrophobicContact CD2-CG1 4.3Å; L132-I239 HydrophobicContact CD2-CG2 3.85Å; R137-I239 HydrophobicContact CB-CD1 4.45Å; F235-I239 HydrophobicContact CD1-CD1 4.44Å; F235-I239 HydrophobicContact CD2-CD1 4.03Å; F235-I239 HydrophobicContact CD2-CG1 4.22Å; F235-I239 HydrophobicContact CE1-CD1 4.2Å; F235-I239 HydrophobicContact CE2-CD1 3.71Å; F235-I239 HydrophobicContact CE2-CG1 3.96Å; F235-I239 HydrophobicContact CG-CD1 4.38Å; F235-I239 HydrophobicContact CZ-CD1 3.83Å; F235-I239 VanDerWaalsContact O-CG1 3.31Å; F235-I239 WeakPolarHBondContact O-CG1 3.06Å; F235-I239 PolarHBondContact O-N 2.83Å; N236-I239 PolarHBondContact O-N 2.94Å; Q237-I239 VanDerWaalsContact C-N 3.34Å; Q237-I239 PolarHBondContact O-N 2.85Å; I239-L241 PolarHBondContact O-N 2.79Å; I239-S242 PolarHBondContact O-N 2.92Å; I239-T243 PolarHBondContact O-N 3.13Å; I239-T243 VanDerWaalsContact O-N 3.12Å; I239-T243 PolarHBondContact O-OG1 2.85Å; I239-T243 VanDerWaalsContact O-OG1 3.14Å
240E91.6Very high89.2Confident149 Ų14955.8 Ų55.870%0.69630%0.303SS*.Hα-helixtrans-57.1-49.3-178.4-171.9176.5-176.400112N236 Q237 S242 T243N236-E240 PolarHBondContact O-N 2.92Å; N236-E240 VanDerWaalsContact O-N 3.12Å; Q237-E240 PolarHBondContact O-N 2.92Å; E240-S242 PolarHBondContact O-N 3.01Å; E240-T243 PolarHBondContact O-N 2.83Å; E240-T243 PolarHBondContact O-OG1 2.74Å
241L92.9Very high89.1Confident81 Ų8158.3 Ų58.342%0.42431%0.307SS..Hα-helixtrans-68.9-15.5178.7-67.6173.6000114.4K223 V225 D226 I227 Q237 I239K223-L241 PolarHBondContact NZ-O 3.16Å; V225-L241 HydrophobicContact CG1-CB 3.79Å; V225-L241 HydrophobicContact CG1-CD1 3.65Å; V225-L241 HydrophobicContact CG1-CG 4.39Å; D226-L241 WeakPolarHBondContact O-CD1 3.28Å; I227-L241 HydrophobicContact CG2-CD1 4.5Å; Q237-L241 HydrophobicContact CG-CD1 4.09Å; Q237-L241 WeakPolarHBondContact O-CG 3.45Å; Q237-L241 PolarHBondContact O-N 2.93Å; Q237-L241 VanDerWaalsContact O-N 3.08Å; I239-L241 PolarHBondContact O-N 2.79Å
242S91.9Very high88.9Confident0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-100.3-11.5-178.9-56.60000113.4V225 A238 I239 E240 E244 V245 L246V225-S242 WeakPolarHBondContact CG2-OG 3.28Å; A238-S242 WeakPolarHBondContact O-CB 3.23Å; A238-S242 PolarHBondContact O-N 3.04Å; A238-S242 VanDerWaalsContact O-N 3.11Å; A238-S242 PolarHBondContact O-OG 2.81Å; I239-S242 PolarHBondContact O-N 2.92Å; E240-S242 PolarHBondContact O-N 3.01Å; S242-E244 VanDerWaalsContact C-N 3.29Å; S242-E244 PolarHBondContact O-N 2.98Å; S242-E244 VanDerWaalsContact O-N 3.16Å; S242-V245 PolarHBondContact O-N 3.21Å; S242-L246 WeakPolarHBondContact O-CG 3.11Å; S242-L246 PolarHBondContact O-N 3.38Å
243T88.1Confident88.5Confident82 Ų8262.5 Ų62.550%0.50332%0.32SS..Hα-helixtrans-46.9-49.2-174.2-49.80000112.9I239 E240 V245 L246 S247I239-T243 PolarHBondContact O-N 3.13Å; I239-T243 VanDerWaalsContact O-N 3.12Å; I239-T243 PolarHBondContact O-OG1 2.85Å; I239-T243 VanDerWaalsContact O-OG1 3.14Å; E240-T243 PolarHBondContact O-N 2.83Å; E240-T243 PolarHBondContact O-OG1 2.74Å; T243-V245 PolarHBondContact O-N 3.12Å; T243-L246 PolarHBondContact O-N 2.66Å; T243-S247 PolarHBondContact O-N 3.11Å; T243-S247 PolarHBondContact O-OG 3.25Å
244E88.1Confident88.2Confident138 Ų13857.5 Ų57.565%0.64529%0.293SS*.Hα-helixtrans-61.8-41.2-179.4-175.9-176.8-17300113.2S242 S247 N248S242-E244 VanDerWaalsContact C-N 3.29Å; S242-E244 PolarHBondContact O-N 2.98Å; S242-E244 VanDerWaalsContact O-N 3.16Å; E244-S247 PolarHBondContact O-OG 2.86Å; E244-N248 PolarHBondContact O-N 3.4Å; E244-N248 PolarHBondContact O-ND2 2.75Å; E244-N248 PolarHBondContact O-OD1 3.49Å
245V88.4Confident88Confident41 Ų4162 Ų6225%0.24831%0.312CS..Hα-helixtrans-73.4-36.3-179.7176.20000110.5L222 K223 S242 T243 N248 V249L222-V245 HydrophobicContact CB-CG1 4.15Å; K223-V245 HydrophobicContact CB-CG1 4.46Å; K223-V245 HydrophobicContact CD-CB 4.33Å; K223-V245 HydrophobicContact CD-CG2 3.78Å; S242-V245 PolarHBondContact O-N 3.21Å; T243-V245 PolarHBondContact O-N 3.12Å; V245-N248 PolarHBondContact O-N 3.14Å; V245-V249 WeakPolarHBondContact O-CG2 3.23Å; V245-V249 PolarHBondContact O-N 2.83Å
246L85.2Confident87.9Confident18 Ų1869.9 Ų69.99%0.09435%0.346CS..Hα-helixtrans-67.7-41.9178.5-64.2178.4000112F117 F119 L132 V196 L222 S242 T243 N248 V249F117-L246 HydrophobicContact CB-CD2 4.13Å; F117-L246 HydrophobicContact CD1-CD2 3.55Å; F117-L246 HydrophobicContact CD2-CD1 4.46Å; F117-L246 HydrophobicContact CD2-CD2 3.97Å; F117-L246 HydrophobicContact CE1-CD2 3.86Å; F117-L246 HydrophobicContact CE2-CB 4.28Å; F117-L246 HydrophobicContact CE2-CD2 4.23Å; F117-L246 HydrophobicContact CG-CD2 3.61Å; F117-L246 HydrophobicContact CZ-CB 4.47Å; F117-L246 HydrophobicContact CZ-CD2 4.18Å; F119-L246 HydrophobicContact CE2-CD1 4.36Å; F119-L246 HydrophobicContact CZ-CD1 3.89Å; L132-L246 HydrophobicContact CD2-CD1 3.91Å; V196-L246 HydrophobicContact CG2-CD2 4.17Å; L222-L246 HydrophobicContact CD1-CD2 4.12Å; S242-L246 WeakPolarHBondContact O-CG 3.11Å; S242-L246 PolarHBondContact O-N 3.38Å; T243-L246 PolarHBondContact O-N 2.66Å; L246-N248 PolarHBondContact O-N 3.16Å; L246-V249 PolarHBondContact O-N 3.06Å
247S82.6Confident87.8Confident75 Ų7568.6 Ų68.652%0.52434%0.34SS..Hα-helixtrans-62.1-33.9174.553.70000112.2T243 E244 V249T243-S247 PolarHBondContact O-N 3.11Å; T243-S247 PolarHBondContact O-OG 3.25Å; E244-S247 PolarHBondContact O-OG 2.86Å; S247-V249 VanDerWaalsContact C-N 3.28Å; S247-V249 PolarHBondContact O-N 3.41Å
248N84.7Confident87.8Confident71 Ų7166.2 Ų66.238%0.3833%0.328SS..Hα-helixtrans-74.7-13.3-179.9-70.2-9.2000113.7E244 V245 L246 K250 F251 I252E244-N248 PolarHBondContact O-N 3.4Å; E244-N248 PolarHBondContact O-ND2 2.75Å; E244-N248 PolarHBondContact O-OD1 3.49Å; V245-N248 PolarHBondContact O-N 3.14Å; L246-N248 PolarHBondContact O-N 3.16Å; N248-K250 PolarHBondContact O-N 2.95Å; N248-F251 WeakPolarHBondContact O-CB 3.18Å; N248-F251 PolarHBondContact O-N 3.14Å; N248-I252 HydrophobicContact CB-CD1 4.48Å; N248-I252 VanDerWaalsContact O-CG1 3.26Å; N248-I252 WeakPolarHBondContact O-CG1 3.48Å; N248-I252 PolarHBondContact O-N 3.46Å
249V82.8Confident87.7Confident9 Ų967.2 Ų67.26%0.05534%0.339CS..Hα-helixtrans-63.4-44.2-178.8177.90000111.7F117 L222 V245 L246 S247 F251 I252 Q253F117-V249 HydrophobicContact CE1-CB 4.17Å; F117-V249 HydrophobicContact CE1-CG1 4.17Å; F117-V249 HydrophobicContact CE1-CG2 3.87Å; F117-V249 HydrophobicContact CZ-CB 4.08Å; F117-V249 HydrophobicContact CZ-CG1 4.35Å; F117-V249 HydrophobicContact CZ-CG2 4.11Å; L222-V249 HydrophobicContact CD1-CG2 3.55Å; L222-V249 HydrophobicContact CD2-CG2 4.16Å; V245-V249 WeakPolarHBondContact O-CG2 3.23Å; V245-V249 PolarHBondContact O-N 2.83Å; L246-V249 PolarHBondContact O-N 3.06Å; S247-V249 VanDerWaalsContact C-N 3.28Å; S247-V249 PolarHBondContact O-N 3.41Å; V249-F251 VanDerWaalsContact C-N 3.29Å; V249-F251 PolarHBondContact O-N 2.9Å; V249-I252 PolarHBondContact O-N 3.21Å; V249-Q253 HydrophobicContact CG1-CG 4.49Å; V249-Q253 WeakPolarHBondContact O-CG 3.09Å; V249-Q253 PolarHBondContact O-N 2.86Å
250K80.1Confident87.8Confident115 Ų11570.9 Ų70.950%0.535%0.351SS..Hα-helixtrans-61.3-42.4177.9-170.7174.4-180178.40110.5N248 I252 Q253 E254N248-K250 PolarHBondContact O-N 2.95Å; K250-I252 PolarHBondContact O-N 3.3Å; K250-Q253 PolarHBondContact O-N 3.18Å; K250-E254 WeakPolarHBondContact O-CB 3.48Å; K250-E254 PolarHBondContact O-N 3.34Å
251F83Confident87.9Confident78 Ų7863.8 Ų63.834%0.34232%0.317SS..Hα-helixtrans-62.2-41.3176.3-175.2-94.2000113.1N248 V249 E254 K255 K366 S367N248-F251 WeakPolarHBondContact O-CB 3.18Å; N248-F251 PolarHBondContact O-N 3.14Å; V249-F251 VanDerWaalsContact C-N 3.29Å; V249-F251 PolarHBondContact O-N 2.9Å; F251-E254 PolarHBondContact O-N 3.17Å; F251-K255 WeakPolarHBondContact O-CB 3.31Å; F251-K255 PolarHBondContact O-N 2.91Å; F251-K366 HydrophobicContact CD2-CB 4.45Å; F251-K366 HydrophobicContact CE2-CB 4.22Å; F251-S367 VanDerWaalsContact CE2-CA 3.42Å; F251-S367 VanDerWaalsContact CE2-CB 3.49Å
252I84.9Confident87.9Confident105 Ų10561.5 Ų61.554%0.53830%0.304SS..Hα-helixtrans-68.1-39.7177.9-67.1162.5000111.1N248 V249 K250 K256N248-I252 HydrophobicContact CB-CD1 4.48Å; N248-I252 VanDerWaalsContact O-CG1 3.26Å; N248-I252 WeakPolarHBondContact O-CG1 3.48Å; N248-I252 PolarHBondContact O-N 3.46Å; V249-I252 PolarHBondContact O-N 3.21Å; K250-I252 PolarHBondContact O-N 3.3Å; I252-K256 WeakPolarHBondContact O-CB 3.23Å; I252-K256 PolarHBondContact O-N 2.98Å
253Q84.6Confident88Confident98 Ų9865.6 Ų65.646%0.45833%0.326SS..Hα-helixtrans-64.5-45.7176.1-71178.110.300111.3V249 K250 K256 L257V249-Q253 HydrophobicContact CG1-CG 4.49Å; V249-Q253 WeakPolarHBondContact O-CG 3.09Å; V249-Q253 PolarHBondContact O-N 2.86Å; K250-Q253 PolarHBondContact O-N 3.18Å; Q253-K256 PolarHBondContact O-N 3.38Å; Q253-L257 WeakPolarHBondContact O-CB 3.48Å; Q253-L257 PolarHBondContact O-N 2.96Å
254E85.8Confident88.2Confident13 Ų1363.4 Ų63.46%0.06131%0.31CS..Hα-helixtrans-57.2-52.1175.2-174.8-168.6113.600111.1K250 F251 K256 L257 I258 V363 T364 S367K250-E254 WeakPolarHBondContact O-CB 3.48Å; K250-E254 PolarHBondContact O-N 3.34Å; F251-E254 PolarHBondContact O-N 3.17Å; E254-K256 VanDerWaalsContact C-N 3.27Å; E254-K256 PolarHBondContact O-N 2.69Å; E254-L257 PolarHBondContact O-N 2.63Å; E254-L257 VanDerWaalsContact O-N 3.09Å; E254-I258 HydrophobicContact CG-CD1 3.92Å; E254-I258 HydrophobicContact CG-CG1 4.47Å; E254-I258 WeakPolarHBondContact O-CG1 3.49Å; E254-I258 PolarHBondContact O-N 3.48Å; E254-V363 HydrophobicContact CG-CB 3.95Å; E254-V363 HydrophobicContact CG-CG1 3.94Å; E254-T364 VanDerWaalsContact OE1-O 3.08Å; E254-T364 WeakPolarHBondContact OE2-CB 2.85Å; E254-T364 PolarHBondContact OE2-N 2.9Å; E254-T364 PolarHBondContact OE2-OG1 3.46Å; E254-S367 PolarHBondContact OE1-OG 2.64Å
255K87.8Confident88.3Confident95 Ų9558.7 Ų58.741%0.41329%0.289SS..Hα-helixtrans-57.6-39.9177.7177.2172.4171.8123.30112.2F251 G259 E369F251-K255 WeakPolarHBondContact O-CB 3.31Å; F251-K255 PolarHBondContact O-N 2.91Å; K255-G259 WeakPolarHBondContact O-CA 3.35Å; K255-G259 PolarHBondContact O-N 3.41Å; K255-E369 WeakPolarHBondContact CE-OE1 3.45Å; K255-E369 IonicContact NZ-OE1 3.31Å; K255-E369 PolarHBondContact NZ-OE1 3.32Å; K255-E369 IonicContact NZ-OE2 3.93Å
256K90.5Very high88.4Confident167 Ų16761.4 Ų61.473%0.72631%0.31SS*.Hα-helixtrans-68.3-38.9177.7-172.8176.8-179178.80112I252 Q253 E254 R260I252-K256 WeakPolarHBondContact O-CB 3.23Å; I252-K256 PolarHBondContact O-N 2.98Å; Q253-K256 PolarHBondContact O-N 3.38Å; E254-K256 VanDerWaalsContact C-N 3.27Å; E254-K256 PolarHBondContact O-N 2.69Å; K256-R260 PolarHBondContact O-N 2.93Å
257L91.9Very high88.7Confident26 Ų2667 Ų6714%0.13634%0.336CS..Hα-helixtrans-66.3-50.8178177.465.4000111.1Q253 E254 G259 R260 Y261 I290 I292 E361 V363Q253-L257 WeakPolarHBondContact O-CB 3.48Å; Q253-L257 PolarHBondContact O-N 2.96Å; E254-L257 PolarHBondContact O-N 2.63Å; E254-L257 VanDerWaalsContact O-N 3.09Å; L257-G259 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 3.39Å; L257-R260 WeakPolarHBondContact O-CB 3.37Å; L257-R260 PolarHBondContact O-N 3.24Å; L257-Y261 PolarHBondContact O-N 3.23Å; L257-I290 HydrophobicContact CD1-CD1 4.28Å; L257-I290 HydrophobicContact CD1-CG2 4.08Å; L257-I292 HydrophobicContact CD1-CD1 4.36Å; L257-I292 HydrophobicContact CD2-CD1 4.4Å; L257-I292 HydrophobicContact CD2-CG1 4.28Å; L257-I292 HydrophobicContact CG-CD1 4.08Å; L257-I292 HydrophobicContact CG-CG1 4.46Å; L257-E361 HydrophobicContact CD2-CB 3.5Å; L257-E361 VanDerWaalsContact CD2-CB 3.5Å; L257-E361 HydrophobicContact CD2-CG 3.8Å; L257-V363 HydrophobicContact CD2-CG1 4.24Å
258I92.9Very high88.9Confident0 Ų068.6 Ų68.60%034%0.338CS..Hα-helixtrans-66.7-35.7178.7-60.5-179.2000110.6E254 R260 Y261 F262 V363 E369 F373E254-I258 HydrophobicContact CG-CD1 3.92Å; E254-I258 HydrophobicContact CG-CG1 4.47Å; E254-I258 WeakPolarHBondContact O-CG1 3.49Å; E254-I258 PolarHBondContact O-N 3.48Å; I258-R260 PolarHBondContact O-N 2.88Å; I258-Y261 WeakPolarHBondContact O-CB 3.36Å; I258-Y261 PolarHBondContact O-N 2.95Å; I258-Y261 VanDerWaalsContact O-N 3.16Å; I258-F262 HydrophobicContact CG2-CD2 3.62Å; I258-F262 HydrophobicContact CG2-CE2 3.31Å; I258-F262 HydrophobicContact CG2-CZ 4.14Å; I258-F262 WeakPolarHBondContact O-CD2 3.4Å; I258-F262 PolarHBondContact O-N 3.08Å; I258-V363 HydrophobicContact CD1-CB 4.16Å; I258-V363 HydrophobicContact CD1-CG1 4.19Å; I258-V363 HydrophobicContact CD1-CG2 4.38Å; I258-V363 HydrophobicContact CG1-CG1 4.28Å; I258-E369 HydrophobicContact CB-CB 4.32Å; I258-E369 HydrophobicContact CG2-CB 3.78Å; I258-F373 HydrophobicContact CG2-CB 4.35Å
259G92.3Very high89Confident21 Ų2166.9 Ų66.922%0.21633%0.33CS..Hα-helixtrans-57.4-47.4171.300000112.2K255 L257 Y261 F262 D263K255-G259 WeakPolarHBondContact O-CA 3.35Å; K255-G259 PolarHBondContact O-N 3.41Å; L257-G259 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 3.39Å; G259-Y261 VanDerWaalsContact C-N 3.28Å; G259-Y261 PolarHBondContact O-N 3.42Å; G259-F262 PolarHBondContact O-N 3.42Å; G259-D263 VanDerWaalsContact O-CG 3.23Å; G259-D263 PolarHBondContact O-N 3.44Å
260R93.6Very high89.1Confident106 Ų10667 Ų6740%0.433%0.333SS..Hα-helixtrans-59-39.7174.4-176.9-178.6176.2-167.4-6111.8K256 L257 I258 D263 E264 E289 I383K256-R260 PolarHBondContact O-N 2.93Å; L257-R260 WeakPolarHBondContact O-CB 3.37Å; L257-R260 PolarHBondContact O-N 3.24Å; I258-R260 PolarHBondContact O-N 2.88Å; R260-D263 PolarHBondContact O-N 2.99Å; R260-E264 PolarHBondContact O-N 2.96Å; R260-E289 IonicContact NH2-OE1 3.61Å; R260-I383 HydrophobicContact CG-CD1 4.11Å
261Y93.9Very high89.7Confident0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-64.1-45.1175.8172.4-98000112.2L257 I258 G259 D263 E264 I265 C273 I292 F373 I383L257-Y261 PolarHBondContact O-N 3.23Å; I258-Y261 WeakPolarHBondContact O-CB 3.36Å; I258-Y261 PolarHBondContact O-N 2.95Å; I258-Y261 VanDerWaalsContact O-N 3.16Å; G259-Y261 VanDerWaalsContact C-N 3.28Å; G259-Y261 PolarHBondContact O-N 3.42Å; Y261-D263 VanDerWaalsContact C-N 3.31Å; Y261-D263 PolarHBondContact O-N 3.5Å; Y261-E264 PolarHBondContact O-N 2.95Å; Y261-I265 HydrophobicContact CD1-CD1 4.03Å; Y261-I265 HydrophobicContact CE1-CD1 3.42Å; Y261-I265 VanDerWaalsContact CE1-CD1 3.42Å; Y261-I265 HydrophobicContact CE2-CD1 4.49Å; Y261-I265 PolarHBondContact O-N 2.88Å; Y261-C273 PolarHBondContact OH-O 3.04Å; Y261-I292 HydrophobicContact CD2-CD1 4.18Å; Y261-I292 HydrophobicContact CG-CD1 4.15Å; Y261-F373 HydrophobicContact CD1-CD2 4.15Å; Y261-F373 HydrophobicContact CD1-CE2 4.33Å; Y261-F373 AromaticContact CE1-CD2 3.79Å; Y261-F373 HydrophobicContact CE1-CD2 3.79Å; Y261-F373 AromaticContact CE1-CE2 3.86Å; Y261-F373 HydrophobicContact CE1-CE2 3.86Å; Y261-I383 HydrophobicContact CD2-CG1 4.02Å
262F92.6Very high90.2Very high33 Ų3364 Ų6415%0.14532%0.319CS..Hα-helixtrans-67.7-29.1176.7-76.1-49.2000113.8I258 G259 E264 I265 S266 E369 Q372 F373 F377I258-F262 HydrophobicContact CG2-CD2 3.62Å; I258-F262 HydrophobicContact CG2-CE2 3.31Å; I258-F262 HydrophobicContact CG2-CZ 4.14Å; I258-F262 WeakPolarHBondContact O-CD2 3.4Å; I258-F262 PolarHBondContact O-N 3.08Å; G259-F262 PolarHBondContact O-N 3.42Å; F262-E264 VanDerWaalsContact C-N 3.33Å; F262-I265 HydrophobicContact CD1-CD1 4.09Å; F262-I265 HydrophobicContact CE1-CD1 4.49Å; F262-I265 PolarHBondContact O-N 3.46Å; F262-S266 WeakPolarHBondContact O-CB 3.31Å; F262-S266 PolarHBondContact O-N 2.84Å; F262-S266 PolarHBondContact O-OG 2.98Å; F262-E369 HydrophobicContact CD2-CB 4.4Å; F262-E369 HydrophobicContact CE2-CB 4.01Å; F262-Q372 HydrophobicContact CE2-CB 4.43Å; F262-Q372 HydrophobicContact CZ-CB 3.99Å; F262-F373 HydrophobicContact CZ-CB 4.39Å; F262-F377 HydrophobicContact CE1-CD2 4.14Å; F262-F377 AromaticContact CE1-CE2 3.54Å; F262-F377 HydrophobicContact CE1-CE2 3.54Å; F262-F377 HydrophobicContact CE1-CZ 4.19Å; F262-F377 HydrophobicContact CZ-CE2 4.27Å
263D93.5Very high90.5Very high87 Ų8759 Ų5947%0.46529%0.294SS..Hα-helixtrans-63.1-40.6174.2-71-27000111.2G259 R260 Y261 I265 S266 Q267G259-D263 VanDerWaalsContact O-CG 3.23Å; G259-D263 PolarHBondContact O-N 3.44Å; R260-D263 PolarHBondContact O-N 2.99Å; Y261-D263 VanDerWaalsContact C-N 3.31Å; Y261-D263 PolarHBondContact O-N 3.5Å; D263-I265 VanDerWaalsContact C-N 3.34Å; D263-I265 PolarHBondContact O-N 2.82Å; D263-S266 PolarHBondContact O-N 2.82Å; D263-Q267 WeakPolarHBondContact O-CB 3.44Å; D263-Q267 VanDerWaalsContact O-CG 3.3Å; D263-Q267 WeakPolarHBondContact O-CG 3.34Å; D263-Q267 PolarHBondContact O-N 2.82Å
264E92Very high90.8Very high35 Ų3558.7 Ų58.716%0.16429%0.291CS..Hα-helixtrans-65.1-36.5177-62.3-65.916100112R260 Y261 F262 D268 T269R260-E264 PolarHBondContact O-N 2.96Å; Y261-E264 PolarHBondContact O-N 2.95Å; F262-E264 VanDerWaalsContact C-N 3.33Å; E264-D268 PolarHBondContact O-N 2.82Å; E264-T269 PolarHBondContact O-N 3.06Å; E264-T269 PolarHBondContact O-OG1 3.35Å; E264-T269 VanDerWaalsContact OE2-CB 3.29Å; E264-T269 WeakPolarHBondContact OE2-CB 3.36Å; E264-T269 VanDerWaalsContact OE2-CG2 3.32Å; E264-T269 WeakPolarHBondContact OE2-CG2 3.43Å; E264-T269 PolarHBondContact OE2-OG1 2.91Å
265I90.6Very high91Very high40 Ų4059.2 Ų59.221%0.20530%0.299CS..Hα-helixtrans-68.1-46.4174-63.3172.4000110.5Y261 F262 D263 Q267 D268 Y272 F377Y261-I265 HydrophobicContact CD1-CD1 4.03Å; Y261-I265 HydrophobicContact CE1-CD1 3.42Å; Y261-I265 VanDerWaalsContact CE1-CD1 3.42Å; Y261-I265 HydrophobicContact CE2-CD1 4.49Å; Y261-I265 PolarHBondContact O-N 2.88Å; F262-I265 HydrophobicContact CD1-CD1 4.09Å; F262-I265 HydrophobicContact CE1-CD1 4.49Å; F262-I265 PolarHBondContact O-N 3.46Å; D263-I265 VanDerWaalsContact C-N 3.34Å; D263-I265 PolarHBondContact O-N 2.82Å; I265-Q267 VanDerWaalsContact C-N 3.27Å; I265-Q267 PolarHBondContact O-N 3.25Å; I265-D268 PolarHBondContact O-N 2.99Å; I265-Y272 HydrophobicContact CB-CE1 4.42Å; I265-Y272 HydrophobicContact CD1-CD2 4.21Å; I265-Y272 HydrophobicContact CD1-CE2 4.48Å; I265-Y272 HydrophobicContact CG1-CD1 3.85Å; I265-Y272 HydrophobicContact CG1-CD2 3.68Å; I265-Y272 HydrophobicContact CG1-CE1 4.06Å; I265-Y272 HydrophobicContact CG1-CE2 3.89Å; I265-Y272 HydrophobicContact CG1-CG 3.66Å; I265-F377 HydrophobicContact CD1-CE1 3.86Å; I265-F377 HydrophobicContact CD1-CZ 3.83Å
266S91.6Very high91Very high98 Ų9855.9 Ų55.969%0.68529%0.287SS*.Hα-helixtrans-66.9-30.1-175.8-57.90000112.7F262 D263F262-S266 WeakPolarHBondContact O-CB 3.31Å; F262-S266 PolarHBondContact O-N 2.84Å; F262-S266 PolarHBondContact O-OG 2.98Å; D263-S266 PolarHBondContact O-N 2.82Å
267Q90.9Very high90.9Very high136 Ų13654.4 Ų54.464%0.63628%0.283SS*.THydrogen-bonded Turntrans-91.3-2.5179.2-67.7176.731.500113.5D263 I265 T269D263-Q267 WeakPolarHBondContact O-CB 3.44Å; D263-Q267 VanDerWaalsContact O-CG 3.3Å; D263-Q267 WeakPolarHBondContact O-CG 3.34Å; D263-Q267 PolarHBondContact O-N 2.82Å; I265-Q267 VanDerWaalsContact C-N 3.27Å; I265-Q267 PolarHBondContact O-N 3.25Å; Q267-T269 HydrophobicContact CB-CG2 3.81Å; Q267-T269 PolarHBondContact O-N 3.12Å
268D86.3Confident90.8Very high107 Ų10754.5 Ų54.557%0.57228%0.284SS*.THydrogen-bonded Turntrans49.644.1-177.6-166.127.3000113.1E264 I265 G270E264-D268 PolarHBondContact O-N 2.82Å; I265-D268 PolarHBondContact O-N 2.99Å; D268-G270 PolarHBondContact O-N 2.77Å
269T87Confident90.8Very high35 Ų3554.5 Ų54.522%0.21528%0.284CS..  trans-73.3-16.3180640000112.3E264 Q267 K271E264-T269 PolarHBondContact O-N 3.06Å; E264-T269 PolarHBondContact O-OG1 3.35Å; E264-T269 VanDerWaalsContact OE2-CB 3.29Å; E264-T269 WeakPolarHBondContact OE2-CB 3.36Å; E264-T269 VanDerWaalsContact OE2-CG2 3.32Å; E264-T269 WeakPolarHBondContact OE2-CG2 3.43Å; E264-T269 PolarHBondContact OE2-OG1 2.91Å; Q267-T269 HydrophobicContact CB-CG2 3.81Å; Q267-T269 PolarHBondContact O-N 3.12Å; T269-K271 PolarHBondContact O-N 3.34Å; T269-K271 PolarHBondContact OG1-N 3.29Å
270G86.4Confident90.6Very high11 Ų1154 Ų5411%0.11328%0.276CS..SBendtrans65.220.1-172.400000113.7D268 R387 V388D268-G270 PolarHBondContact O-N 2.77Å; G270-R387 WeakPolarHBondContact O-CA 3.25Å; G270-V388 PolarHBondContact O-N 3.02Å
271K91.6Very high90.5Very high81 Ų8152.1 Ų52.135%0.35227%0.27SS..  trans-101.536.5179-62.2-176.1-176.2178.50113.1T269 L384T269-K271 PolarHBondContact O-N 3.34Å; T269-K271 PolarHBondContact OG1-N 3.29Å; K271-L384 HydrophobicContact CB-CB 4.46Å; K271-L384 PolarHBondContact O-N 2.95Å
272Y93.4Very high90.3Very high50 Ų5052.1 Ų52.120%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-137.4154.317867.6-88.9000109.9I265 F274 G382I265-Y272 HydrophobicContact CB-CE1 4.42Å; I265-Y272 HydrophobicContact CD1-CD2 4.21Å; I265-Y272 HydrophobicContact CD1-CE2 4.48Å; I265-Y272 HydrophobicContact CG1-CD1 3.85Å; I265-Y272 HydrophobicContact CG1-CD2 3.68Å; I265-Y272 HydrophobicContact CG1-CE1 4.06Å; I265-Y272 HydrophobicContact CG1-CE2 3.89Å; I265-Y272 HydrophobicContact CG1-CG 3.66Å; Y272-F274 AromaticContact CD2-CD1 3.97Å; Y272-F274 HydrophobicContact CD2-CD1 3.97Å; Y272-F274 HydrophobicContact CD2-CE1 4.48Å; Y272-F274 AromaticContact CE2-CD1 3.72Å; Y272-F274 HydrophobicContact CE2-CD1 3.72Å; Y272-F274 AromaticContact CE2-CE1 3.8Å; Y272-F274 HydrophobicContact CE2-CE1 3.8Å; Y272-G382 VanDerWaalsContact CA-O 3.31Å; Y272-G382 WeakPolarHBondContact CA-O 3.5Å
273C91.5Very high90.2Very high1 Ų150.6 Ų50.61%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-133150.4168.257.20000109.3Y261 A282 G381 G382 L384 F390Y261-C273 PolarHBondContact OH-O 3.04Å; C273-A282 HydrophobicContact CB-CB 4.4Å; C273-G381 CarbonylContact O-C 3.54Å; C273-G381 WeakPolarHBondContact O-CA 3.4Å; C273-G382 PolarHBondContact N-O 3.18Å; C273-G382 PolarHBondContact O-N 3.03Å; C273-G382 PolarHBondContact SG-N 3.31Å; C273-G382 VanDerWaalsContact SG-N 3.43Å; C273-L384 HydrophobicContact CB-CD2 4.34Å; C273-F390 HydrophobicContact CB-CE2 4.05Å; C273-F390 HydrophobicContact CB-CZ 3.73Å
274F91.6Very high89.9Confident90 Ų9053.1 Ų53.140%0.39527%0.273SS..EExtended strand (participates in β ladder)trans-142.3155.7178.160.8-87.8000109.8Y272 F377Y272-F274 AromaticContact CD2-CD1 3.97Å; Y272-F274 HydrophobicContact CD2-CD1 3.97Å; Y272-F274 HydrophobicContact CD2-CE1 4.48Å; Y272-F274 AromaticContact CE2-CD1 3.72Å; Y272-F274 HydrophobicContact CE2-CD1 3.72Å; Y272-F274 AromaticContact CE2-CE1 3.8Å; Y272-F274 HydrophobicContact CE2-CE1 3.8Å; F274-F377 HydrophobicContact CB-CB 4.27Å; F274-F377 HydrophobicContact CB-CD1 3.7Å; F274-F377 HydrophobicContact CB-CG 4.45Å; F274-F377 HydrophobicContact CD1-CD1 4.44Å; F274-F377 HydrophobicContact CD2-CD1 4.3Å; F274-F377 AromaticContact CG-CD1 3.9Å; F274-F377 HydrophobicContact CG-CD1 3.9Å
275G89.6Confident89.7Confident24 Ų2455.1 Ų55.125%0.24728%0.283CS..SBendtrans76159.2-176.200000112.8T279 I380G275-T279 WeakPolarHBondContact O-CB 3.36Å; G275-T279 PolarHBondContact O-N 3.05Å; G275-T279 VanDerWaalsContact O-N 3.15Å; G275-T279 PolarHBondContact O-OG1 3.16Å; G275-I380 PolarHBondContact N-O 2.83Å
276V88.1Confident89.6Confident25 Ų2554.2 Ų54.215%0.15228%0.284CS..Hα-helixtrans-68.9-44.3-170.7179.20000111.8T279 L280 I299 Y316 L345 I380V276-T279 PolarHBondContact O-N 3.02Å; V276-L280 HydrophobicContact CG1-CD1 3.5Å; V276-L280 HydrophobicContact CG1-CG 4.2Å; V276-L280 VanDerWaalsContact O-CB 3.32Å; V276-L280 WeakPolarHBondContact O-CB 3.38Å; V276-L280 WeakPolarHBondContact O-CD1 3.48Å; V276-L280 WeakPolarHBondContact O-CG 3.22Å; V276-L280 PolarHBondContact O-N 2.94Å; V276-I299 HydrophobicContact CG2-CD1 3.28Å; V276-I299 HydrophobicContact CG2-CG2 4.41Å; V276-Y316 HydrophobicContact CG1-CD1 4.45Å; V276-Y316 HydrophobicContact CG1-CG 4.04Å; V276-L345 HydrophobicContact CG1-CD2 4.1Å; V276-L345 HydrophobicContact CG2-CD2 4.47Å; V276-I380 HydrophobicContact CG2-CD1 4.39Å; V276-I380 HydrophobicContact CG2-CG2 3.94Å
277E87.9Confident89.5Confident137 Ų13749.6 Ų49.664%0.6425%0.251SS*.Hα-helixtrans-63.5-53.2-174.6-61.8-177.8-170.600111.7T279 L280 K281E277-T279 PolarHBondContact O-N 2.93Å; E277-L280 PolarHBondContact O-N 3.35Å; E277-K281 WeakPolarHBondContact O-CB 3.26Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 2.96Å
278D90.3Very high89.6Confident28 Ų2843.1 Ų43.115%0.1522%0.221CC..Hα-helixtrans-66.8-39.2179.5-70.2-14.8000112.1L280 K281 A282 F390D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.35Å; D278-K281 PolarHBondContact O-N 2.96Å; D278-A282 WeakPolarHBondContact O-CB 3.49Å; D278-A282 PolarHBondContact O-N 2.94Å; D278-F390 HydrophobicContact CB-CD1 3.93Å; D278-F390 HydrophobicContact CB-CE1 4.05Å; D278-F390 HydrophobicContact CB-CG 4.42Å; D278-F390 WeakPolarHBondContact O-CE1 3.44Å
279T91.1Very high90Very high0 Ų041.4 Ų41.40%021%0.21CC..Hα-helixtrans-65.6-39.3179.3-56.50000111.4G275 V276 E277 L283 L291 I380G275-T279 WeakPolarHBondContact O-CB 3.36Å; G275-T279 PolarHBondContact O-N 3.05Å; G275-T279 VanDerWaalsContact O-N 3.15Å; G275-T279 PolarHBondContact O-OG1 3.16Å; V276-T279 PolarHBondContact O-N 3.02Å; E277-T279 PolarHBondContact O-N 2.93Å; T279-L283 VanDerWaalsContact O-CB 3.26Å; T279-L283 WeakPolarHBondContact O-CB 3.5Å; T279-L283 PolarHBondContact O-N 3.36Å; T279-L291 HydrophobicContact CG2-CD1 3.29Å; T279-I380 HydrophobicContact CG2-CD1 4.18Å; T279-I380 HydrophobicContact CG2-CG1 4.06Å
280L89.7Confident90.3Very high10 Ų1040.5 Ų40.55%0.05220%0.204CC..Hα-helixtrans-70.2-45176.4-71.9170.9000112V276 E277 D278 A282 L283 E284 Y316 W348 F349V276-L280 HydrophobicContact CG1-CD1 3.5Å; V276-L280 HydrophobicContact CG1-CG 4.2Å; V276-L280 VanDerWaalsContact O-CB 3.32Å; V276-L280 WeakPolarHBondContact O-CB 3.38Å; V276-L280 WeakPolarHBondContact O-CD1 3.48Å; V276-L280 WeakPolarHBondContact O-CG 3.22Å; V276-L280 PolarHBondContact O-N 2.94Å; E277-L280 PolarHBondContact O-N 3.35Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.35Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.46Å; L280-L283 CarbonylContact O-C 3.52Å; L280-L283 WeakPolarHBondContact O-CA 3.46Å; L280-L283 WeakPolarHBondContact O-CB 3.28Å; L280-L283 PolarHBondContact O-N 3.09Å; L280-E284 WeakPolarHBondContact O-CG 3.36Å; L280-E284 PolarHBondContact O-N 2.59Å; L280-Y316 HydrophobicContact CD1-CD1 3.89Å; L280-Y316 HydrophobicContact CD1-CD2 3.45Å; L280-Y316 VanDerWaalsContact CD1-CD2 3.45Å; L280-Y316 HydrophobicContact CD1-CE1 3.66Å; L280-Y316 HydrophobicContact CD1-CE2 3.25Å; L280-Y316 HydrophobicContact CD1-CG 3.76Å; L280-Y316 HydrophobicContact CD2-CE1 4.35Å; L280-W348 HydrophobicContact CD2-CH2 4.39Å; L280-W348 HydrophobicContact CD2-CZ3 3.94Å; L280-F349 HydrophobicContact CD2-CE1 3.92Å; L280-F349 HydrophobicContact CD2-CZ 4Å
281K89.9Confident90.7Very high66 Ų6640 Ų4029%0.28720%0.198SC..Hα-helixtrans-56.1-46.7173.3-74.8174.7-174.81680111.1E277 D278 L283 E284 M285E277-K281 WeakPolarHBondContact O-CB 3.26Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 2.96Å; D278-K281 PolarHBondContact O-N 2.96Å; K281-L283 VanDerWaalsContact C-N 3.27Å; K281-L283 PolarHBondContact O-N 3.43Å; K281-E284 PolarHBondContact O-N 2.92Å; K281-M285 HydrophobicContact CB-CE 3.96Å; K281-M285 VanDerWaalsContact O-CG 3.27Å; K281-M285 WeakPolarHBondContact O-CG 3.4Å; K281-M285 PolarHBondContact O-N 2.91Å
282A90.5Very high90.8Very high0 Ų036.1 Ų36.10%018%0.182CC..Hα-helixtrans-62.4-35.1176.700000112.7C273 D278 L280 G286 A287 V288 L384 F390C273-A282 HydrophobicContact CB-CB 4.4Å; D278-A282 WeakPolarHBondContact O-CB 3.49Å; D278-A282 PolarHBondContact O-N 2.94Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.46Å; A282-G286 PolarHBondContact O-N 3.12Å; A282-A287 PolarHBondContact O-N 3.46Å; A282-V288 HydrophobicContact CB-CG2 3.77Å; A282-L384 HydrophobicContact CB-CD2 3.83Å; A282-F390 HydrophobicContact CB-CE1 3.93Å; A282-F390 HydrophobicContact CB-CZ 3.86Å
283L89.9Confident90.8Very high2 Ų233.8 Ų33.81%0.0117%0.172CC..Hα-helixtrans-71.2-42177.9-169.968000111.4T279 L280 K281 M285 G286 V288 W348 F349 F356 A358T279-L283 VanDerWaalsContact O-CB 3.26Å; T279-L283 WeakPolarHBondContact O-CB 3.5Å; T279-L283 PolarHBondContact O-N 3.36Å; L280-L283 CarbonylContact O-C 3.52Å; L280-L283 WeakPolarHBondContact O-CA 3.46Å; L280-L283 WeakPolarHBondContact O-CB 3.28Å; L280-L283 PolarHBondContact O-N 3.09Å; K281-L283 VanDerWaalsContact C-N 3.27Å; K281-L283 PolarHBondContact O-N 3.43Å; L283-M285 VanDerWaalsContact C-N 3.31Å; L283-M285 PolarHBondContact O-N 3.08Å; L283-G286 WeakPolarHBondContact O-CA 3.35Å; L283-G286 PolarHBondContact O-N 3.48Å; L283-V288 HydrophobicContact CB-CG2 4.4Å; L283-V288 HydrophobicContact CD1-CB 4.28Å; L283-V288 HydrophobicContact CD1-CG2 4.37Å; L283-W348 HydrophobicContact CD2-CH2 4.39Å; L283-W348 HydrophobicContact CD2-CZ3 4.06Å; L283-F349 HydrophobicContact CD2-CD1 4.02Å; L283-F349 HydrophobicContact CD2-CE1 3.69Å; L283-F356 HydrophobicContact CD1-CB 3.62Å; L283-F356 HydrophobicContact CD1-CD2 4.15Å; L283-F356 HydrophobicContact CD1-CG 3.92Å; L283-F356 HydrophobicContact CD2-CD2 3.84Å; L283-F356 HydrophobicContact CD2-CE2 4.03Å; L283-F356 HydrophobicContact CD2-CG 4.26Å; L283-F356 HydrophobicContact CG-CB 3.97Å; L283-F356 HydrophobicContact CG-CD1 4.08Å; L283-F356 HydrophobicContact CG-CD2 3.8Å; L283-F356 HydrophobicContact CG-CE2 4.28Å; L283-F356 HydrophobicContact CG-CG 3.68Å; L283-F356 WeakPolarHBondContact O-CD1 3.18Å; L283-A358 HydrophobicContact CD1-CB 3.9Å
284E88.4Confident90.9Very high139 Ų13934.9 Ų34.965%0.6518%0.176SC*.Hα-helixtrans-62.6-37.4175-73.1178.4179.600112.1L280 K281 G286L280-E284 WeakPolarHBondContact O-CG 3.36Å; L280-E284 PolarHBondContact O-N 2.59Å; K281-E284 PolarHBondContact O-N 2.92Å; E284-G286 PolarHBondContact O-N 3.28Å
285M87.8Confident90.8Very high77 Ų7734.1 Ų34.138%0.37917%0.174SC..THydrogen-bonded Turntrans-72.1-8.7172.6-65.4165.9-15500113.5K281 L283 A287 V388 M393K281-M285 HydrophobicContact CB-CE 3.96Å; K281-M285 VanDerWaalsContact O-CG 3.27Å; K281-M285 WeakPolarHBondContact O-CG 3.4Å; K281-M285 PolarHBondContact O-N 2.91Å; L283-M285 VanDerWaalsContact C-N 3.31Å; L283-M285 PolarHBondContact O-N 3.08Å; M285-A287 HydrophobicContact CB-CB 4.45Å; M285-A287 PolarHBondContact O-N 3.38Å; M285-V388 HydrophobicContact SD-CG1 4.47Å; M285-M393 HydrophobicContact CE-CE 3.67Å; M285-M393 HydrophobicContact CE-SD 3.18Å; M285-M393 WeakPolarHBondContact CE-SD 3.45Å; M285-M393 HydrophobicContact SD-CE 3.64Å; M285-M393 HydrophobicContact SD-SD 3.9Å
286G88.1Confident90.7Very high22 Ų2237.2 Ų37.223%0.22719%0.185CC..THydrogen-bonded Turntrans65.523.3-175.400000113.7A282 L283 E284A282-G286 PolarHBondContact O-N 3.12Å; L283-G286 WeakPolarHBondContact O-CA 3.35Å; L283-G286 PolarHBondContact O-N 3.48Å; E284-G286 PolarHBondContact O-N 3.28Å
287A90.2Very high90.6Very high0 Ų037 Ų370%018%0.183CC..  trans-81.4-22.3-177.300000112.9A282 M285 E289 L384 R385 Y386 V388A282-A287 PolarHBondContact O-N 3.46Å; M285-A287 HydrophobicContact CB-CB 4.45Å; M285-A287 PolarHBondContact O-N 3.38Å; A287-E289 PolarHBondContact O-N 3.48Å; A287-L384 HydrophobicContact CB-CD2 4.3Å; A287-L384 CarbonylContact O-C 3.57Å; A287-L384 WeakPolarHBondContact O-CA 3.18Å; A287-R385 WeakPolarHBondContact O-CG 3.09Å; A287-R385 PolarHBondContact O-N 3.16Å; A287-Y386 HydrophobicContact CB-CE1 4.06Å; A287-Y386 HydrophobicContact CB-CE2 4.14Å; A287-V388 HydrophobicContact CB-CG2 3.77Å
288V92.9Very high90.5Very high1 Ų136 Ų361%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-72.2125.8-176-176.50000111.3A282 L283 L291 A358 L384 R385A282-V288 HydrophobicContact CB-CG2 3.77Å; L283-V288 HydrophobicContact CB-CG2 4.4Å; L283-V288 HydrophobicContact CD1-CB 4.28Å; L283-V288 HydrophobicContact CD1-CG2 4.37Å; V288-L291 HydrophobicContact CG1-CB 4.03Å; V288-A358 HydrophobicContact CB-CB 4.24Å; V288-A358 HydrophobicContact CG1-CB 4.08Å; V288-L384 HydrophobicContact CB-CD2 4.41Å; V288-L384 HydrophobicContact CG2-CD2 3.77Å; V288-R385 PolarHBondContact O-NE 3.37Å
289E93.1Very high90.3Very high71 Ų7135.5 Ų35.533%0.33218%0.179SC..EExtended strand (participates in β ladder)trans-84.4-57.5168-169.6-175.4142.200109.5R260 A287 T359 I383 R385R260-E289 IonicContact NH2-OE1 3.61Å; A287-E289 PolarHBondContact O-N 3.48Å; E289-T359 PolarHBondContact O-N 3.05Å; E289-T359 PolarHBondContact O-OG1 3.49Å; E289-I383 WeakPolarHBondContact CA-O 3.47Å; E289-I383 WeakPolarHBondContact CB-O 3.49Å; E289-I383 PolarHBondContact N-O 2.92Å; E289-R385 HydrophobicContact CB-CG 3.64Å; E289-R385 HydrophobicContact CG-CG 4.25Å
290I94.1Very high90.1Very high16 Ų1639 Ų398%0.08220%0.196CC..EExtended strand (participates in β ladder)trans-124.3117.8-176.1-48.7179.1000108.5L257 I292 T359 E361 G382 I383L257-I290 HydrophobicContact CD1-CD1 4.28Å; L257-I290 HydrophobicContact CD1-CG2 4.08Å; I290-I292 HydrophobicContact CG2-CG1 4.28Å; I290-T359 CarbonylContact C-O 3.33Å; I290-T359 WeakPolarHBondContact CA-O 3.42Å; I290-E361 HydrophobicContact CG2-CB 4.28Å; I290-E361 HydrophobicContact CG2-CG 3.78Å; I290-G382 CarbonylContact O-C 3.6Å; I290-G382 WeakPolarHBondContact O-CA 3.33Å; I290-I383 HydrophobicContact CB-CB 4.32Å; I290-I383 HydrophobicContact CD1-CD1 4.36Å; I290-I383 PolarHBondContact N-O 3.36Å; I290-I383 VanDerWaalsContact N-O 3.15Å; I290-I383 PolarHBondContact O-N 3.24Å
291L94.3Very high90Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-93.9119.8174.6-177.967.7000108.6T279 V288 V293 F349 T359 L360 E361T279-L291 HydrophobicContact CG2-CD1 3.29Å; V288-L291 HydrophobicContact CG1-CB 4.03Å; L291-V293 HydrophobicContact CD1-CG2 4.49Å; L291-V293 HydrophobicContact CD2-CG2 4.14Å; L291-V293 HydrophobicContact CG-CG2 3.85Å; L291-F349 HydrophobicContact CD2-CB 4.3Å; L291-F349 HydrophobicContact CD2-CD1 3.47Å; L291-F349 VanDerWaalsContact CD2-CD1 3.47Å; L291-F349 HydrophobicContact CD2-CD2 4.26Å; L291-F349 HydrophobicContact CD2-CE1 3.75Å; L291-F349 HydrophobicContact CD2-CE2 4.48Å; L291-F349 HydrophobicContact CD2-CG 3.77Å; L291-F349 HydrophobicContact CD2-CZ 4.27Å; L291-T359 PolarHBondContact N-O 3.32Å; L291-L360 HydrophobicContact CB-CD1 4.49Å; L291-L360 HydrophobicContact CD2-CD1 3.94Å; L291-L360 HydrophobicContact CG-CD1 4.2Å; L291-E361 PolarHBondContact O-N 3.13Å
292I94.5Very high89.8Confident0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-105.6118.5-177.8-54.6177.3000108.1L257 Y261 I290 E361 V363 F373 G381 I383L257-I292 HydrophobicContact CD1-CD1 4.36Å; L257-I292 HydrophobicContact CD2-CD1 4.4Å; L257-I292 HydrophobicContact CD2-CG1 4.28Å; L257-I292 HydrophobicContact CG-CD1 4.08Å; L257-I292 HydrophobicContact CG-CG1 4.46Å; Y261-I292 HydrophobicContact CD2-CD1 4.18Å; Y261-I292 HydrophobicContact CG-CD1 4.15Å; I290-I292 HydrophobicContact CG2-CG1 4.28Å; I292-E361 WeakPolarHBondContact CA-O 3.45Å; I292-V363 HydrophobicContact CG2-CB 4.39Å; I292-V363 HydrophobicContact CG2-CG1 3.67Å; I292-V363 HydrophobicContact CG2-CG2 3.76Å; I292-F373 HydrophobicContact CB-CZ 4.03Å; I292-F373 HydrophobicContact CG2-CE1 3.83Å; I292-F373 HydrophobicContact CG2-CE2 4.37Å; I292-F373 HydrophobicContact CG2-CZ 3.7Å; I292-G381 PolarHBondContact N-O 3.01Å; I292-G381 PolarHBondContact O-N 3.33Å; I292-I383 HydrophobicContact CD1-CD1 4.42Å; I292-I383 HydrophobicContact CD1-CG1 4.43Å
293V93.9Very high89.6Confident0 Ų037.8 Ų37.80%019%0.19CC..EExtended strand (participates in β ladder)trans-129.3134.1-177-168.60000110.4L291 L297 L346 F349 L360 E361 I362 V363L291-V293 HydrophobicContact CD1-CG2 4.49Å; L291-V293 HydrophobicContact CD2-CG2 4.14Å; L291-V293 HydrophobicContact CG-CG2 3.85Å; V293-L297 HydrophobicContact CG1-CB 4.44Å; V293-L297 HydrophobicContact CG1-CD2 3.96Å; V293-L346 HydrophobicContact CB-CD1 4.11Å; V293-L346 HydrophobicContact CG1-CD1 3.62Å; V293-F349 HydrophobicContact CG1-CD2 4.45Å; V293-F349 HydrophobicContact CG2-CD2 3.97Å; V293-F349 HydrophobicContact CG2-CE2 4.24Å; V293-L360 HydrophobicContact CB-CD1 4.19Å; V293-L360 HydrophobicContact CG2-CD1 3.53Å; V293-E361 PolarHBondContact N-O 2.93Å; V293-I362 VanDerWaalsContact O-CA 3.32Å; V293-I362 WeakPolarHBondContact O-CA 3.35Å; V293-V363 PolarHBondContact O-N 2.96Å
294Y93.2Very high89.3Confident24 Ų2437.7 Ų37.79%0.09419%0.19CC..EExtended strand (participates in β ladder)trans-74.2139.3173.8177-127.7000111.5N296 L297 V363 D365 V374 G379Y294-N296 VanDerWaalsContact C-N 3.32Å; Y294-N296 HydrophobicContact CD1-CB 4.26Å; Y294-N296 WeakPolarHBondContact CD1-O 3.41Å; Y294-N296 HydrophobicContact CE1-CB 3.55Å; Y294-N296 WeakPolarHBondContact CE1-O 3.27Å; Y294-N296 PolarHBondContact O-N 3.38Å; Y294-N296 PolarHBondContact OH-ND2 3.3Å; Y294-N296 VanDerWaalsContact OH-ND2 3.14Å; Y294-L297 WeakPolarHBondContact O-CB 3.28Å; Y294-L297 PolarHBondContact O-N 3.24Å; Y294-V363 WeakPolarHBondContact CD2-O 3.38Å; Y294-D365 HydrophobicContact CE2-CB 3.87Å; Y294-V374 HydrophobicContact CD1-CG1 4.04Å; Y294-V374 HydrophobicContact CD1-CG2 3.98Å; Y294-V374 HydrophobicContact CD2-CG2 3.59Å; Y294-V374 HydrophobicContact CE1-CG1 3.99Å; Y294-V374 HydrophobicContact CE1-CG2 4.29Å; Y294-V374 HydrophobicContact CE2-CG2 4Å; Y294-V374 HydrophobicContact CG-CG2 3.61Å; Y294-G379 VanDerWaalsContact CB-O 3.27Å; Y294-G379 WeakPolarHBondContact CB-O 3.46Å; Y294-G379 PolarHBondContact N-O 2.99Å
295E88.3Confident88.8Confident74 Ų7433.8 Ų33.835%0.34617%0.172SC..THydrogen-bonded Turntrans-61.3-35-176.564.2-180-179.400114.2L346 I362 V363 T364E295-L346 WeakPolarHBondContact O-CD2 3.48Å; E295-I362 HydrophobicContact CB-CG2 3.87Å; E295-V363 PolarHBondContact N-O 2.99Å; E295-V363 VanDerWaalsContact N-O 3.12Å; E295-T364 HydrophobicContact CG-CG2 4.46Å
296N88.2Confident88.1Confident89 Ų8930.9 Ų30.948%0.47616%0.158SC..THydrogen-bonded Turntrans-105.150.9178.6-53.2-54.7000110.2Y294 D298Y294-N296 VanDerWaalsContact C-N 3.32Å; Y294-N296 HydrophobicContact CD1-CB 4.26Å; Y294-N296 WeakPolarHBondContact CD1-O 3.41Å; Y294-N296 HydrophobicContact CE1-CB 3.55Å; Y294-N296 WeakPolarHBondContact CE1-O 3.27Å; Y294-N296 PolarHBondContact O-N 3.38Å; Y294-N296 PolarHBondContact OH-ND2 3.3Å; Y294-N296 VanDerWaalsContact OH-ND2 3.14Å; N296-D298 PolarHBondContact O-N 3.01Å
297L86.7Confident86.9Confident21 Ų2134.5 Ų34.511%0.1117%0.169CC..  trans-76.9105.2173.7-171.474.4000109.6V293 Y294 I299 L345 G378 I380V293-L297 HydrophobicContact CG1-CB 4.44Å; V293-L297 HydrophobicContact CG1-CD2 3.96Å; Y294-L297 WeakPolarHBondContact O-CB 3.28Å; Y294-L297 PolarHBondContact O-N 3.24Å; L297-I299 HydrophobicContact CD1-CD1 3.76Å; L297-I299 HydrophobicContact CD1-CG1 4.1Å; L297-I299 HydrophobicContact CD2-CB 4.31Å; L297-I299 HydrophobicContact CD2-CD1 4.18Å; L297-I299 HydrophobicContact CD2-CG1 4.36Å; L297-I299 HydrophobicContact CG-CB 4.18Å; L297-I299 HydrophobicContact CG-CD1 3.97Å; L297-I299 HydrophobicContact CG-CG1 3.89Å; L297-I299 PolarHBondContact O-N 3.16Å; L297-L345 HydrophobicContact CD2-CD2 4.08Å; L297-G378 WeakPolarHBondContact CD1-O 3.4Å; L297-I380 HydrophobicContact CD2-CB 4.5Å; L297-I380 HydrophobicContact CD2-CD1 4.46Å
298D85.2Confident85.7Confident115 Ų11538.4 Ų38.462%0.61521%0.21SC*.  trans-81.865.5177.6-64.7-32.9000110.6N296 P319N296-D298 PolarHBondContact O-N 3.01Å; D298-P319 HydrophobicContact CB-CG 3.8Å; D298-P319 WeakPolarHBondContact O-CD 3.42Å
299I87.1Confident84.3Confident19 Ų1942 Ų4210%0.09723%0.231CC..  trans-133.2125.9176.6-55.6-178000108.5V276 L297 T318 L345V276-I299 HydrophobicContact CG2-CD1 3.28Å; V276-I299 HydrophobicContact CG2-CG2 4.41Å; L297-I299 HydrophobicContact CD1-CD1 3.76Å; L297-I299 HydrophobicContact CD1-CG1 4.1Å; L297-I299 HydrophobicContact CD2-CB 4.31Å; L297-I299 HydrophobicContact CD2-CD1 4.18Å; L297-I299 HydrophobicContact CD2-CG1 4.36Å; L297-I299 HydrophobicContact CG-CB 4.18Å; L297-I299 HydrophobicContact CG-CD1 3.97Å; L297-I299 HydrophobicContact CG-CG1 3.89Å; L297-I299 PolarHBondContact O-N 3.16Å; I299-T318 HydrophobicContact CG1-CG2 4.39Å; I299-L345 HydrophobicContact CB-CB 4.29Å; I299-L345 HydrophobicContact CB-CD2 4.1Å; I299-L345 HydrophobicContact CG2-CB 4.34Å; I299-L345 HydrophobicContact CG2-CD2 3.76Å; I299-L345 WeakPolarHBondContact O-CB 3.49Å; I299-L345 PolarHBondContact O-N 3.25Å
300M86.7Confident83Confident73 Ų7347.8 Ų47.836%0.3626%0.259SS..EExtended strand (participates in β ladder)trans-106.2138.3-179.5-70.7-68.8-155.300109.8Y302 Y316 L317 P344M300-Y302 HydrophobicContact CB-CD2 4.18Å; M300-Y302 HydrophobicContact CB-CE2 3.37Å; M300-Y302 HydrophobicContact CG-CE2 4.47Å; M300-Y316 WeakPolarHBondContact O-CA 3.43Å; M300-L317 PolarHBondContact N-O 3.1Å; M300-L317 PolarHBondContact O-N 3.49Å; M300-P344 HydrophobicContact CE-CG 4.32Å; M300-P344 VanDerWaalsContact SD-CA 3.59Å; M300-P344 HydrophobicContact SD-CB 4.11Å; M300-P344 HydrophobicContact SD-CG 3.89Å
301R87.9Confident82.1Confident34 Ų3454 Ų5413%0.12829%0.287CS..EExtended strand (participates in β ladder)trans-93.8121.5170.5178.8-178.9172.8-98-2.8108.4I314 L315 Y316 S342 M343R301-I314 HydrophobicContact CG-CG2 3.86Å; R301-L315 WeakPolarHBondContact CA-O 3.17Å; R301-Y316 HydrophobicContact CB-CD1 3.96Å; R301-Y316 HydrophobicContact CB-CE1 3.87Å; R301-Y316 HydrophobicContact CG-CD1 4.1Å; R301-Y316 HydrophobicContact CG-CE1 3.62Å; R301-S342 WeakPolarHBondContact O-CA 3.38Å; R301-M343 PolarHBondContact N-O 3.17Å; R301-M343 PolarHBondContact O-N 2.91Å
302Y85.1Confident81.3Confident7 Ų760.3 Ų60.33%0.02732%0.317CS..EExtended strand (participates in β ladder)trans-110.1131.5175.3-61.9-86.7000109.7M300 I314 L315 L317 E322 F328 L339M300-Y302 HydrophobicContact CB-CD2 4.18Å; M300-Y302 HydrophobicContact CB-CE2 3.37Å; M300-Y302 HydrophobicContact CG-CE2 4.47Å; Y302-I314 WeakPolarHBondContact O-CA 3.05Å; Y302-L315 PolarHBondContact N-O 3.39Å; Y302-L315 PolarHBondContact O-N 3.33Å; Y302-L317 HydrophobicContact CD2-CB 4.17Å; Y302-L317 HydrophobicContact CD2-CD1 3.69Å; Y302-L317 HydrophobicContact CD2-CG 4.12Å; Y302-L317 HydrophobicContact CE2-CB 3.9Å; Y302-L317 HydrophobicContact CE2-CD1 3.9Å; Y302-L317 HydrophobicContact CE2-CG 4.3Å; Y302-L317 HydrophobicContact CG-CD1 4.48Å; Y302-E322 PolarHBondContact OH-OE1 3.04Å; Y302-F328 HydrophobicContact CD1-CE1 4.35Å; Y302-F328 HydrophobicContact CG-CE1 4.49Å; Y302-L339 HydrophobicContact CD1-CD1 3.5Å; Y302-L339 VanDerWaalsContact CD1-CD1 3.5Å; Y302-L339 HydrophobicContact CE1-CD1 3.95Å
303V85.3Confident80.6Confident9 Ų965 Ų656%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-104.3113.4169.3-174.70000107.4E312 I340 E341V303-E312 HydrophobicContact CG1-CB 4.48Å; V303-I340 HydrophobicContact CG1-CD1 4.22Å; V303-I340 PolarHBondContact O-N 2.88Å; V303-E341 PolarHBondContact N-O 3.36Å
304L83.3Confident80.1Confident0 Ų068.4 Ų68.40%036%0.355CS..EExtended strand (participates in β ladder)trans-106.5136.8-177.7-63178.8000109.8K313 L315 F328 H337 E338 L339L304-K313 HydrophobicContact CB-CB 4.49Å; L304-K313 WeakPolarHBondContact CB-O 3.03Å; L304-K313 PolarHBondContact N-O 2.87Å; L304-K313 PolarHBondContact O-N 3.26Å; L304-L315 HydrophobicContact CD1-CD1 3.5Å; L304-L315 VanDerWaalsContact CD1-CD1 3.5Å; L304-L315 HydrophobicContact CD1-CG 4.09Å; L304-F328 HydrophobicContact CD1-CD1 4.32Å; L304-F328 HydrophobicContact CD2-CD1 3.98Å; L304-F328 HydrophobicContact CD2-CE1 4.24Å; L304-H337 HydrophobicContact CB-CB 3.9Å; L304-H337 HydrophobicContact CD1-CB 4.11Å; L304-H337 HydrophobicContact CD2-CB 4.26Å; L304-H337 HydrophobicContact CG-CB 4.32Å; L304-E338 CarbonylContact C-O 3.59Å; L304-E338 WeakPolarHBondContact CA-O 3.2Å; L304-L339 HydrophobicContact CD2-CB 4.22Å
305H79.8Confident79.6Confident58 Ų5868.9 Ų68.927%0.26936%0.359SS..EExtended strand (participates in β ladder)trans-99.4127169.2-169.757.1000109.9Q307 E338 I340H305-Q307 PolarHBondContact O-N 2.97Å; H305-E338 HydrophobicContact CB-CB 4.38Å; H305-E338 PolarHBondContact N-O 2.98Å; H305-E338 PolarHBondContact O-N 3.5Å; H305-I340 HydrophobicContact CB-CD1 3.69Å; H305-I340 HydrophobicContact CB-CG1 4Å
306C72.1Confident79.5Confident15 Ų1568 Ų6810%0.10135%0.353CS..  trans-78.7119.9173.6-64.90000110.1G308 T309 H337C306-G308 PolarHBondContact O-N 3.37Å; C306-T309 VanDerWaalsContact CB-OG1 3.31Å; C306-T309 WeakPolarHBondContact CB-OG1 3.42Å; C306-T309 PolarHBondContact O-N 2.87Å; C306-H337 PolarHBondContact SG-CE1 3.37Å; C306-H337 PolarHBondContact SG-ND1 3.27Å
307Q64.1Low79.3Confident98 Ų9864.1 Ų64.146%0.45833%0.332SS..THydrogen-bonded Turntrans-68101.3170.4-70.5-172.5-4.900109.1H305 Q335 E338H305-Q307 PolarHBondContact O-N 2.97Å; Q307-Q335 PolarHBondContact O-OE1 2.71Å; Q307-E338 HydrophobicContact CG-CG 4.17Å; Q307-E338 PolarHBondContact NE2-OE1 3.35Å
308G63.6Low79.2Confident82 Ų8265.4 Ų65.485%0.84534%0.341SS*.THydrogen-bonded Turntrans132.1-22.3176.600000115.2C306C306-G308 PolarHBondContact O-N 3.37Å
309T63.7Low79.1Confident76 Ų7662.6 Ų62.647%0.46633%0.329SS..SBendtrans-130.4136.7175.247.70000108.8C306 E311C306-T309 VanDerWaalsContact CB-OG1 3.31Å; C306-T309 WeakPolarHBondContact CB-OG1 3.42Å; C306-T309 PolarHBondContact O-N 2.87Å; T309-E311 PolarHBondContact O-N 3.5Å
310E66.5Low78.6Confident193 Ų19369.1 Ų69.190%0.90236%0.359SS*.SBendtrans-66.88.8177.1-110.9179.6173.200113.9
311E73.7Confident78.1Confident147 Ų14769.3 Ų69.369%0.68736%0.359SS*.  trans-81.3134.3-179.6-67.8-170.1164.300112.2T309T309-E311 PolarHBondContact O-N 3.5Å
312E78.5Confident77.2Confident133 Ų13372 Ų7262%0.62137%0.373SS*.EExtended strand (participates in β ladder)trans-93.1127.9172.6-63.5179.2175.300109.5V303V303-E312 HydrophobicContact CG1-CB 4.48Å
313K79.7Confident76.7Confident98 Ų9879.4 Ų79.443%0.42641%0.405SS..EExtended strand (participates in β ladder)trans-106.2122.9175.8-166.6172.3-174174.20109.7L304 L315L304-K313 HydrophobicContact CB-CB 4.49Å; L304-K313 WeakPolarHBondContact CB-O 3.03Å; L304-K313 PolarHBondContact N-O 2.87Å; L304-K313 PolarHBondContact O-N 3.26Å; K313-L315 HydrophobicContact CG-CD2 4.43Å
314I84Confident76Confident71 Ų7183.4 Ų83.436%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-99.5123.5178.6-54.2169.2000108.2R301 Y302 Y316R301-I314 HydrophobicContact CG-CG2 3.86Å; Y302-I314 WeakPolarHBondContact O-CA 3.05Å; I314-Y316 HydrophobicContact CG2-CE1 4.41Å; I314-Y316 HydrophobicContact CG2-CE2 3.74Å
315L82.7Confident75.2Confident35 Ų3591.1 Ų91.118%0.18346%0.46CS..EExtended strand (participates in β ladder)trans-117.3144.5175.3-63.9-178.3000110.7R301 Y302 L304 K313 L317 H327R301-L315 WeakPolarHBondContact CA-O 3.17Å; Y302-L315 PolarHBondContact N-O 3.39Å; Y302-L315 PolarHBondContact O-N 3.33Å; L304-L315 HydrophobicContact CD1-CD1 3.5Å; L304-L315 VanDerWaalsContact CD1-CD1 3.5Å; L304-L315 HydrophobicContact CD1-CG 4.09Å; K313-L315 HydrophobicContact CG-CD2 4.43Å; L315-L317 HydrophobicContact CB-CD1 4.36Å; L315-L317 HydrophobicContact CB-CG 4.21Å; L315-H327 WeakPolarHBondContact CD1-O 3.44Å
316Y85.9Confident74.5Confident54 Ų5491.4 Ų91.421%0.21247%0.469CS..EExtended strand (participates in β ladder)trans-116.8109.4173.9-57.6-87.6000107.4V276 L280 M300 R301 I314 L345V276-Y316 HydrophobicContact CG1-CD1 4.45Å; V276-Y316 HydrophobicContact CG1-CG 4.04Å; L280-Y316 HydrophobicContact CD1-CD1 3.89Å; L280-Y316 HydrophobicContact CD1-CD2 3.45Å; L280-Y316 VanDerWaalsContact CD1-CD2 3.45Å; L280-Y316 HydrophobicContact CD1-CE1 3.66Å; L280-Y316 HydrophobicContact CD1-CE2 3.25Å; L280-Y316 HydrophobicContact CD1-CG 3.76Å; L280-Y316 HydrophobicContact CD2-CE1 4.35Å; M300-Y316 WeakPolarHBondContact O-CA 3.43Å; R301-Y316 HydrophobicContact CB-CD1 3.96Å; R301-Y316 HydrophobicContact CB-CE1 3.87Å; R301-Y316 HydrophobicContact CG-CD1 4.1Å; R301-Y316 HydrophobicContact CG-CE1 3.62Å; I314-Y316 HydrophobicContact CG2-CE1 4.41Å; I314-Y316 HydrophobicContact CG2-CE2 3.74Å; Y316-L345 HydrophobicContact CD1-CD1 3.69Å; Y316-L345 HydrophobicContact CD1-CD2 4.28Å; Y316-L345 HydrophobicContact CE1-CD1 3.55Å
317L84.6Confident74.1Confident8 Ų894.3 Ų94.34%0.04248%0.48CS..EExtended strand (participates in β ladder)trans-120.5142.2-171.2-58.8164.9000110.5M300 Y302 L315 Q321 H327 F328M300-L317 PolarHBondContact N-O 3.1Å; M300-L317 PolarHBondContact O-N 3.49Å; Y302-L317 HydrophobicContact CD2-CB 4.17Å; Y302-L317 HydrophobicContact CD2-CD1 3.69Å; Y302-L317 HydrophobicContact CD2-CG 4.12Å; Y302-L317 HydrophobicContact CE2-CB 3.9Å; Y302-L317 HydrophobicContact CE2-CD1 3.9Å; Y302-L317 HydrophobicContact CE2-CG 4.3Å; Y302-L317 HydrophobicContact CG-CD1 4.48Å; L315-L317 HydrophobicContact CB-CD1 4.36Å; L315-L317 HydrophobicContact CB-CG 4.21Å; L317-Q321 HydrophobicContact CB-CB 4.33Å; L317-Q321 HydrophobicContact CD2-CB 4.02Å; L317-H327 HydrophobicContact CD2-CB 4.23Å; L317-F328 HydrophobicContact CD1-CE1 4.31Å; L317-F328 HydrophobicContact CD1-CE2 4.13Å; L317-F328 HydrophobicContact CD1-CZ 3.7Å
318T84.8Confident74Confident48 Ų4891.6 Ų91.629%0.29447%0.467SS..  trans-79.7159.8166.1590000110.8I299 E320 Q321 E322I299-T318 HydrophobicContact CG1-CG2 4.39Å; T318-E320 PolarHBondContact O-N 3Å; T318-E320 VanDerWaalsContact O-N 3.07Å; T318-Q321 VanDerWaalsContact N-OE1 3.09Å; T318-Q321 PolarHBondContact O-N 3.45Å; T318-Q321 VanDerWaalsContact OG1-CD 3.24Å; T318-Q321 VanDerWaalsContact OG1-CG 3.3Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.22Å; T318-Q321 PolarHBondContact OG1-N 3.3Å; T318-Q321 PolarHBondContact OG1-OE1 2.92Å; T318-E322 PolarHBondContact O-N 2.94Å
319P81.1Confident73.9Confident57 Ų5789.8 Ų89.837%0.3744%0.44SS..THydrogen-bonded Turntrans-58.2-22.4178.1-26.429.4000114.9D298D298-P319 HydrophobicContact CB-CG 3.8Å; D298-P319 WeakPolarHBondContact O-CD 3.42Å
320E78.5Confident73.7Confident155 Ų15588.2 Ų88.272%0.72443%0.429SS*.THydrogen-bonded Turntrans-78.3-45.2175-62.9-170.5167.600110.7T318 E322 K323T318-E320 PolarHBondContact O-N 3Å; T318-E320 VanDerWaalsContact O-N 3.07Å; E320-E322 VanDerWaalsContact C-N 3.31Å; E320-E322 PolarHBondContact O-N 2.8Å; E320-K323 WeakPolarHBondContact O-CB 3.42Å; E320-K323 PolarHBondContact O-N 3.21Å
321Q75.5Confident73.4Confident78 Ų7888.3 Ų88.336%0.36443%0.426SS..G310 helixtrans-69.5-27.5176.7-67.6166-35.500112.7L317 T318 K323 D324L317-Q321 HydrophobicContact CB-CB 4.33Å; L317-Q321 HydrophobicContact CD2-CB 4.02Å; T318-Q321 VanDerWaalsContact N-OE1 3.09Å; T318-Q321 PolarHBondContact O-N 3.45Å; T318-Q321 VanDerWaalsContact OG1-CD 3.24Å; T318-Q321 VanDerWaalsContact OG1-CG 3.3Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.22Å; T318-Q321 PolarHBondContact OG1-N 3.3Å; T318-Q321 PolarHBondContact OG1-OE1 2.92Å; Q321-K323 PolarHBondContact O-N 2.86Å; Q321-D324 PolarHBondContact O-N 3.14Å
322E69.4Low72.5Confident89 Ų8990 Ų9042%0.41643%0.434SS..G310 helixtrans-61.2-33.1172.5-177.4-178.8-157.600111.9Y302 T318 E320 D324Y302-E322 PolarHBondContact OH-OE1 3.04Å; T318-E322 PolarHBondContact O-N 2.94Å; E320-E322 VanDerWaalsContact C-N 3.31Å; E320-E322 PolarHBondContact O-N 2.8Å; E322-D324 PolarHBondContact O-N 3.48Å
323K73.3Confident71.4Confident164 Ų16487.7 Ų87.771%0.71343%0.429SS*.G310 helixtrans-72.2-22.8178.8-67171.2-173.7168.60112.2E320 Q321 K325E320-K323 WeakPolarHBondContact O-CB 3.42Å; E320-K323 PolarHBondContact O-N 3.21Å; Q321-K323 PolarHBondContact O-N 2.86Å; K323-K325 PolarHBondContact O-N 3.33Å
324D71.3Confident70.4Confident92 Ų9286 Ų8649%0.49244%0.439SS..  trans-82.6100.6178.8-77.9-25.3000110.6Q321 E322 S326 H327Q321-D324 PolarHBondContact O-N 3.14Å; E322-D324 PolarHBondContact O-N 3.48Å; D324-S326 PolarHBondContact O-N 2.9Å; D324-H327 PolarHBondContact O-N 3.13Å
325K65.8Low69.3Low163 Ų16387 Ų8771%0.70944%0.443SS*.G310 helixtrans-58.8-17.5179.2-68-171.6174-166.60114.5K323 H327 F328 T329K323-K325 PolarHBondContact O-N 3.33Å; K325-H327 PolarHBondContact O-N 3.33Å; K325-F328 PolarHBondContact O-N 3Å; K325-F328 VanDerWaalsContact O-N 3.15Å; K325-T329 PolarHBondContact O-N 2.88Å; K325-T329 PolarHBondContact O-OG1 2.74Å
326S66.6Low68.5Low64 Ų6491.9 Ų91.945%0.44847%0.465SS..G310 helixtrans-61.5-23.2177.352.20000113.5D324 T329D324-S326 PolarHBondContact O-N 2.9Å; S326-T329 WeakPolarHBondContact CA-OG1 3.41Å; S326-T329 PolarHBondContact O-OG1 2.93Å
327H62.3Low67.6Low76 Ų7690.2 Ų90.235%0.35246%0.459SS..G310 helixtrans-81.4-17.5177.8-71.6-73.3000113.7L315 L317 D324 K325L315-H327 WeakPolarHBondContact CD1-O 3.44Å; L317-H327 HydrophobicContact CD2-CB 4.23Å; D324-H327 PolarHBondContact O-N 3.13Å; K325-H327 PolarHBondContact O-N 3.33Å
328F61.9Low67.1Low40 Ų4094.8 Ų94.818%0.17548%0.48CS..THydrogen-bonded Turntrans-99.4-8.6178.2-63.9-83.1000112.9Y302 L304 L317 K325 H337 L339Y302-F328 HydrophobicContact CD1-CE1 4.35Å; Y302-F328 HydrophobicContact CG-CE1 4.49Å; L304-F328 HydrophobicContact CD1-CD1 4.32Å; L304-F328 HydrophobicContact CD2-CD1 3.98Å; L304-F328 HydrophobicContact CD2-CE1 4.24Å; L317-F328 HydrophobicContact CD1-CE1 4.31Å; L317-F328 HydrophobicContact CD1-CE2 4.13Å; L317-F328 HydrophobicContact CD1-CZ 3.7Å; K325-F328 PolarHBondContact O-N 3Å; K325-F328 VanDerWaalsContact O-N 3.15Å; F328-H337 PolarHBondContact O-CD2 3.24Å; F328-H337 PolarHBondContact O-N 3.3Å; F328-L339 HydrophobicContact CE1-CD1 4.34Å
329T61.7Low66.8Low45 Ų4596.8 Ų96.828%0.27649%0.488SS..BIsolated β-bridgetrans-104.2130.7174.851.20000110.2K325 S326 K331 E336K325-T329 PolarHBondContact O-N 2.88Å; K325-T329 PolarHBondContact O-OG1 2.74Å; S326-T329 WeakPolarHBondContact CA-OG1 3.41Å; S326-T329 PolarHBondContact O-OG1 2.93Å; T329-K331 PolarHBondContact O-N 3.44Å; T329-E336 HydrophobicContact CG2-CG 3.88Å
330D59.7Low66.8Low43 Ų4398.7 Ų98.723%0.2349%0.494CS..  trans-69.4128.9176-157.50.4000110.5E332 T333 G334 Q335 H337D330-E332 PolarHBondContact O-N 2.9Å; D330-T333 VanDerWaalsContact CB-OG1 3.3Å; D330-T333 WeakPolarHBondContact CB-OG1 3.5Å; D330-T333 PolarHBondContact OD2-OG1 3.29Å; D330-G334 WeakPolarHBondContact O-CA 3.39Å; D330-G334 PolarHBondContact O-N 2.88Å; D330-Q335 PolarHBondContact N-O 2.81Å; D330-H337 IonicContact OD2-CE1 3.16Å
331K60.4Low66.9Low194 Ų19495.7 Ų95.784%0.84348%0.48SS*.THydrogen-bonded Turntrans-70.1-21.8-172.7-72.9-177.1-179.6175.70112.9T329T329-K331 PolarHBondContact O-N 3.44Å
332E55.3Low67.3Low183 Ų18395.2 Ų95.286%0.85549%0.486SS*.THydrogen-bonded Turntrans-96.5-35.1-177.8-64.5-168.6154.600113.5D330D330-E332 PolarHBondContact O-N 2.9Å
333T55.8Low68.2Low84 Ų8492.5 Ų92.552%0.51547%0.473SS..THydrogen-bonded Turntrans-105.7-15.5-17560.50000113.6D330 Q335D330-T333 VanDerWaalsContact CB-OG1 3.3Å; D330-T333 WeakPolarHBondContact CB-OG1 3.5Å; D330-T333 PolarHBondContact OD2-OG1 3.29Å; T333-Q335 PolarHBondContact O-N 3.02Å
334G57.3Low69Low63 Ų6387.3 Ų87.365%0.64946%0.456SS*.  trans66.312.2-178.600000114.2D330D330-G334 WeakPolarHBondContact O-CA 3.39Å; D330-G334 PolarHBondContact O-N 2.88Å
335Q62.4Low69.9Low92 Ų9282.9 Ų82.943%0.4343%0.433SS..PPolyproline II helixtrans-90.2143.3177.9-63.5-172.912.100110.6Q307 D330 T333Q307-Q335 PolarHBondContact O-OE1 2.71Å; D330-Q335 PolarHBondContact N-O 2.81Å; T333-Q335 PolarHBondContact O-N 3.02Å
336E64.1Low71Confident138 Ų13877.1 Ų77.165%0.64541%0.409SS*.BIsolated β-bridgetrans-77.4127174.4-70.1-176.6166.300109T329T329-E336 HydrophobicContact CG2-CG 3.88Å
337H68.8Low72.1Confident19 Ų1979 Ų799%0.08841%0.411CS..PPolyproline II helixtrans-69.5139.7173.4-60.7-67.5000110.3L304 C306 F328 D330 L339L304-H337 HydrophobicContact CB-CB 3.9Å; L304-H337 HydrophobicContact CD1-CB 4.11Å; L304-H337 HydrophobicContact CD2-CB 4.26Å; L304-H337 HydrophobicContact CG-CB 4.32Å; C306-H337 PolarHBondContact SG-CE1 3.37Å; C306-H337 PolarHBondContact SG-ND1 3.27Å; F328-H337 PolarHBondContact O-CD2 3.24Å; F328-H337 PolarHBondContact O-N 3.3Å; D330-H337 IonicContact OD2-CE1 3.16Å; H337-L339 PolarHBondContact O-N 3.48Å
338E73.7Confident73.4Confident104 Ų10476.6 Ų76.649%0.48640%0.399SS..EExtended strand (participates in β ladder)trans-77.5126.3175-72.3-174.5177.300110.1L304 H305 Q307 I340L304-E338 CarbonylContact C-O 3.59Å; L304-E338 WeakPolarHBondContact CA-O 3.2Å; H305-E338 HydrophobicContact CB-CB 4.38Å; H305-E338 PolarHBondContact N-O 2.98Å; H305-E338 PolarHBondContact O-N 3.5Å; Q307-E338 HydrophobicContact CG-CG 4.17Å; Q307-E338 PolarHBondContact NE2-OE1 3.35Å; E338-I340 PolarHBondContact O-N 3.43Å
339L78.1Confident74.8Confident90 Ų9074.8 Ų74.847%0.47139%0.391SS..EExtended strand (participates in β ladder)trans-78.4112.5174.8-176.7140.6000109.5Y302 L304 F328 H337Y302-L339 HydrophobicContact CD1-CD1 3.5Å; Y302-L339 VanDerWaalsContact CD1-CD1 3.5Å; Y302-L339 HydrophobicContact CE1-CD1 3.95Å; L304-L339 HydrophobicContact CD2-CB 4.22Å; F328-L339 HydrophobicContact CE1-CD1 4.34Å; H337-L339 PolarHBondContact O-N 3.48Å
340I80.3Confident76.1Confident97 Ų9775 Ų7550%0.49740%0.397SS..EExtended strand (participates in β ladder)trans-82.3-55.3176.8-61.7166.1000109.6V303 H305 E338V303-I340 HydrophobicContact CG1-CD1 4.22Å; V303-I340 PolarHBondContact O-N 2.88Å; H305-I340 HydrophobicContact CB-CD1 3.69Å; H305-I340 HydrophobicContact CB-CG1 4Å; E338-I340 PolarHBondContact O-N 3.43Å
341E80.6Confident77.5Confident92 Ų9277.6 Ų77.643%0.4341%0.411SS..EExtended strand (participates in β ladder)trans-145.9136.8-171.7-168.3178.1-167.500110V303 M343V303-E341 PolarHBondContact N-O 3.36Å; E341-M343 VanDerWaalsContact OE1-CE 3.27Å; E341-M343 WeakPolarHBondContact OE1-CE 3.22Å
342S84.3Confident78.9Confident68 Ų6869.6 Ų69.648%0.47638%0.377SS..EExtended strand (participates in β ladder)trans-119.5131.9168.2600000109.2R301R301-S342 WeakPolarHBondContact O-CA 3.38Å
343M88Confident80.5Confident32 Ų3264.1 Ų64.116%0.15835%0.349CS..EExtended strand (participates in β ladder)trans-143.4139.7-179.7-172.2-179.4-64.100110.5R301 E341 L345 E347 W348R301-M343 PolarHBondContact N-O 3.17Å; R301-M343 PolarHBondContact O-N 2.91Å; E341-M343 VanDerWaalsContact OE1-CE 3.27Å; E341-M343 WeakPolarHBondContact OE1-CE 3.22Å; M343-L345 PolarHBondContact O-N 3.49Å; M343-E347 HydrophobicContact CG-CB 4.4Å; M343-E347 HydrophobicContact SD-CG 4.41Å; M343-W348 HydrophobicContact SD-CB 4.25Å
344P90.9Very high82Confident54 Ų5467.8 Ų67.835%0.35136%0.358SS..EExtended strand (participates in β ladder)trans-58135.8171.9-23.934.1000112.1M300 L346 E347 W348M300-P344 HydrophobicContact CE-CG 4.32Å; M300-P344 VanDerWaalsContact SD-CA 3.59Å; M300-P344 HydrophobicContact SD-CB 4.11Å; M300-P344 HydrophobicContact SD-CG 3.89Å; P344-L346 VanDerWaalsContact C-N 3.29Å; P344-L346 PolarHBondContact O-N 3.17Å; P344-E347 HydrophobicContact CB-CB 4.3Å; P344-E347 PolarHBondContact O-N 3.37Å; P344-E347 VanDerWaalsContact O-N 3.14Å; P344-W348 PolarHBondContact O-N 3.21Å; P344-W348 VanDerWaalsContact O-N 3.07Å
345L89Confident83.6Confident0 Ų072.6 Ų72.60%036%0.361CS..Hα-helixtrans-63.2-36.3-175.9-17658.3000112.4V276 L297 I299 Y316 M343 E347 W348 F349 I380V276-L345 HydrophobicContact CG1-CD2 4.1Å; V276-L345 HydrophobicContact CG2-CD2 4.47Å; L297-L345 HydrophobicContact CD2-CD2 4.08Å; I299-L345 HydrophobicContact CB-CB 4.29Å; I299-L345 HydrophobicContact CB-CD2 4.1Å; I299-L345 HydrophobicContact CG2-CB 4.34Å; I299-L345 HydrophobicContact CG2-CD2 3.76Å; I299-L345 WeakPolarHBondContact O-CB 3.49Å; I299-L345 PolarHBondContact O-N 3.25Å; Y316-L345 HydrophobicContact CD1-CD1 3.69Å; Y316-L345 HydrophobicContact CD1-CD2 4.28Å; Y316-L345 HydrophobicContact CE1-CD1 3.55Å; M343-L345 PolarHBondContact O-N 3.49Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 2.65Å; L345-W348 HydrophobicContact CD1-CE3 4.1Å; L345-W348 WeakPolarHBondContact O-CB 3.37Å; L345-W348 PolarHBondContact O-N 2.92Å; L345-F349 HydrophobicContact CD1-CD2 4.44Å; L345-F349 HydrophobicContact CD1-CE2 3.95Å; L345-F349 HydrophobicContact CD1-CZ 3.99Å; L345-F349 HydrophobicContact CD2-CE2 3.88Å; L345-F349 HydrophobicContact CD2-CZ 4.21Å; L345-F349 HydrophobicContact CG-CD2 4.04Å; L345-F349 HydrophobicContact CG-CE2 3.51Å; L345-F349 HydrophobicContact CG-CZ 4.01Å; L345-F349 VanDerWaalsContact O-CD2 3.3Å; L345-F349 WeakPolarHBondContact O-CD2 3.23Å; L345-F349 PolarHBondContact O-N 3.48Å; L345-I380 HydrophobicContact CD2-CD1 4.31Å
346L90.1Very high84.8Confident41 Ų4171 Ų7122%0.21535%0.353CS..Hα-helixtrans-59.8-42175.6-178.965.8000112.1V293 E295 P344 F349 A350 I362V293-L346 HydrophobicContact CB-CD1 4.11Å; V293-L346 HydrophobicContact CG1-CD1 3.62Å; E295-L346 WeakPolarHBondContact O-CD2 3.48Å; P344-L346 VanDerWaalsContact C-N 3.29Å; P344-L346 PolarHBondContact O-N 3.17Å; L346-F349 PolarHBondContact O-N 2.92Å; L346-A350 PolarHBondContact O-N 3.18Å; L346-I362 HydrophobicContact CD1-CD1 4.47Å; L346-I362 HydrophobicContact CD1-CG1 4.45Å
347E89.6Confident85.9Confident103 Ų10366.2 Ų66.248%0.48134%0.341SS..Hα-helixtrans-68-40.4177.6-174.3173.9-17600111.2M343 P344 L345 F349 A350 N351M343-E347 HydrophobicContact CG-CB 4.4Å; M343-E347 HydrophobicContact SD-CG 4.41Å; P344-E347 HydrophobicContact CB-CB 4.3Å; P344-E347 PolarHBondContact O-N 3.37Å; P344-E347 VanDerWaalsContact O-N 3.14Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 2.65Å; E347-F349 VanDerWaalsContact C-N 3.34Å; E347-F349 PolarHBondContact O-N 3.35Å; E347-A350 PolarHBondContact O-N 3.24Å; E347-N351 PolarHBondContact O-N 3.17Å; E347-N351 PolarHBondContact O-ND2 3.5Å
348W90.4Very high86.9Confident27 Ų2765.6 Ų65.610%0.10234%0.339CS..Hα-helixtrans-60.6-42.6174.6-176.886.9000112.2L280 L283 M343 P344 L345 N351 N352 F356L280-W348 HydrophobicContact CD2-CH2 4.39Å; L280-W348 HydrophobicContact CD2-CZ3 3.94Å; L283-W348 HydrophobicContact CD2-CH2 4.39Å; L283-W348 HydrophobicContact CD2-CZ3 4.06Å; M343-W348 HydrophobicContact SD-CB 4.25Å; P344-W348 PolarHBondContact O-N 3.21Å; P344-W348 VanDerWaalsContact O-N 3.07Å; L345-W348 HydrophobicContact CD1-CE3 4.1Å; L345-W348 WeakPolarHBondContact O-CB 3.37Å; L345-W348 PolarHBondContact O-N 2.92Å; W348-N351 PolarHBondContact O-N 3.46Å; W348-N352 VanDerWaalsContact CD1-ND2 3.34Å; W348-N352 HydrophobicContact CZ2-CB 4.47Å; W348-N352 PolarHBondContact NE1-ND2 3.1Å; W348-N352 PolarHBondContact O-N 3.36Å; W348-N352 PolarHBondContact O-ND2 2.95Å; W348-F356 AromaticContact CH2-CE2 3.82Å; W348-F356 HydrophobicContact CH2-CE2 3.82Å; W348-F356 HydrophobicContact CH2-CZ 4.03Å; W348-F356 HydrophobicContact CZ2-CE2 4.33Å; W348-F356 HydrophobicContact CZ2-CZ 4.44Å
349F90.4Very high87.7Confident1 Ų164 Ų640%0.00434%0.336CS..Hα-helixtrans-61-46.8174-74-49.3000111.2L280 L283 L291 V293 L345 L346 E347 N351 N352 Y353 L360 I380L280-F349 HydrophobicContact CD2-CE1 3.92Å; L280-F349 HydrophobicContact CD2-CZ 4Å; L283-F349 HydrophobicContact CD2-CD1 4.02Å; L283-F349 HydrophobicContact CD2-CE1 3.69Å; L291-F349 HydrophobicContact CD2-CB 4.3Å; L291-F349 HydrophobicContact CD2-CD1 3.47Å; L291-F349 VanDerWaalsContact CD2-CD1 3.47Å; L291-F349 HydrophobicContact CD2-CD2 4.26Å; L291-F349 HydrophobicContact CD2-CE1 3.75Å; L291-F349 HydrophobicContact CD2-CE2 4.48Å; L291-F349 HydrophobicContact CD2-CG 3.77Å; L291-F349 HydrophobicContact CD2-CZ 4.27Å; V293-F349 HydrophobicContact CG1-CD2 4.45Å; V293-F349 HydrophobicContact CG2-CD2 3.97Å; V293-F349 HydrophobicContact CG2-CE2 4.24Å; L345-F349 HydrophobicContact CD1-CD2 4.44Å; L345-F349 HydrophobicContact CD1-CE2 3.95Å; L345-F349 HydrophobicContact CD1-CZ 3.99Å; L345-F349 HydrophobicContact CD2-CE2 3.88Å; L345-F349 HydrophobicContact CD2-CZ 4.21Å; L345-F349 HydrophobicContact CG-CD2 4.04Å; L345-F349 HydrophobicContact CG-CE2 3.51Å; L345-F349 HydrophobicContact CG-CZ 4.01Å; L345-F349 VanDerWaalsContact O-CD2 3.3Å; L345-F349 WeakPolarHBondContact O-CD2 3.23Å; L345-F349 PolarHBondContact O-N 3.48Å; L346-F349 PolarHBondContact O-N 2.92Å; E347-F349 VanDerWaalsContact C-N 3.34Å; E347-F349 PolarHBondContact O-N 3.35Å; F349-N351 PolarHBondContact O-N 3.3Å; F349-N352 PolarHBondContact O-N 3.3Å; F349-Y353 WeakPolarHBondContact O-CB 3.41Å; F349-Y353 VanDerWaalsContact O-CD1 3.24Å; F349-Y353 WeakPolarHBondContact O-CD1 3.14Å; F349-Y353 PolarHBondContact O-N 3.28Å; F349-L360 HydrophobicContact CB-CD1 4.23Å; F349-L360 HydrophobicContact CB-CD2 4.19Å; F349-I380 HydrophobicContact CE2-CD1 3.63Å; F349-I380 HydrophobicContact CZ-CD1 3.71Å
350A88.9Confident88.4Confident49 Ų4961.2 Ų61.241%0.40532%0.322SS..Hα-helixtrans-58.4-31.9178.500000113.1L346 E347 Y353 L360L346-A350 PolarHBondContact O-N 3.18Å; E347-A350 PolarHBondContact O-N 3.24Å; A350-Y353 WeakPolarHBondContact O-CD1 3.48Å; A350-Y353 WeakPolarHBondContact O-CE1 3.31Å; A350-L360 HydrophobicContact CB-CD2 4.26Å
351N90.1Very high88.9Confident99 Ų9961 Ų6153%0.52932%0.319SS..Hα-helixtrans-80.7-33.3177.9-71.3-26.9000113.5E347 W348 F349E347-N351 PolarHBondContact O-N 3.17Å; E347-N351 PolarHBondContact O-ND2 3.5Å; W348-N351 PolarHBondContact O-N 3.46Å; F349-N351 PolarHBondContact O-N 3.3Å
352N89.1Confident89.4Confident25 Ų2560.6 Ų60.613%0.13432%0.319CS..Hα-helixtrans-113.9-11-167.7-65.6-55.3000115.8W348 F349 K354 K355 F356W348-N352 VanDerWaalsContact CD1-ND2 3.34Å; W348-N352 HydrophobicContact CZ2-CB 4.47Å; W348-N352 PolarHBondContact NE1-ND2 3.1Å; W348-N352 PolarHBondContact O-N 3.36Å; W348-N352 PolarHBondContact O-ND2 2.95Å; F349-N352 PolarHBondContact O-N 3.3Å; N352-K354 PolarHBondContact O-N 3.46Å; N352-K355 WeakPolarHBondContact O-CB 3.5Å; N352-K355 PolarHBondContact O-N 3.43Å; N352-K355 WeakPolarHBondContact OD1-CE 3.37Å; N352-K355 PolarHBondContact OD1-NZ 2.92Å; N352-F356 HydrophobicContact CB-CD2 4.48Å; N352-F356 HydrophobicContact CB-CE2 3.96Å; N352-F356 VanDerWaalsContact O-CD2 3.3Å; N352-F356 WeakPolarHBondContact O-CD2 3.44Å
353Y88.5Confident89.7Confident68 Ų6857.4 Ų57.427%0.26730%0.296SS..Hα-helixtrans-52.5-36.8-175.771.3-90.5000113.8F349 A350 K355 F356 G357 A358 L360F349-Y353 WeakPolarHBondContact O-CB 3.41Å; F349-Y353 VanDerWaalsContact O-CD1 3.24Å; F349-Y353 WeakPolarHBondContact O-CD1 3.14Å; F349-Y353 PolarHBondContact O-N 3.28Å; A350-Y353 WeakPolarHBondContact O-CD1 3.48Å; A350-Y353 WeakPolarHBondContact O-CE1 3.31Å; Y353-K355 VanDerWaalsContact C-N 3.3Å; Y353-K355 PolarHBondContact O-N 3.02Å; Y353-F356 PolarHBondContact O-N 2.94Å; Y353-G357 PolarHBondContact O-N 3.04Å; Y353-A358 WeakPolarHBondContact CD2-O 3.48Å; Y353-A358 PolarHBondContact O-N 3.45Å; Y353-L360 HydrophobicContact CD1-CB 4.22Å; Y353-L360 HydrophobicContact CD1-CD2 4.2Å; Y353-L360 HydrophobicContact CD2-CB 4.28Å; Y353-L360 HydrophobicContact CG-CB 3.96Å
354K88.4Confident89.8Confident161 Ų16156.5 Ų56.570%0.729%0.293SS*.Hα-helixtrans-64.9-30.7178.9-65.5-172.3-1771760113.4N352 F356 G357N352-K354 PolarHBondContact O-N 3.46Å; K354-F356 VanDerWaalsContact C-N 3.31Å; K354-G357 PolarHBondContact O-N 2.99Å
355K90.3Very high89.8Confident164 Ų16457.3 Ų57.371%0.71329%0.294SS*.Hα-helixtrans-67.8-35.3179-64.3176.9-179165.90111.1N352 Y353N352-K355 WeakPolarHBondContact O-CB 3.5Å; N352-K355 PolarHBondContact O-N 3.43Å; N352-K355 WeakPolarHBondContact OD1-CE 3.37Å; N352-K355 PolarHBondContact OD1-NZ 2.92Å; Y353-K355 VanDerWaalsContact C-N 3.3Å; Y353-K355 PolarHBondContact O-N 3.02Å
356F87.3Confident89.6Confident58 Ų5865 Ų6525%0.25433%0.327SS..Hα-helixtrans-84.9-9.8178.4-58.8-73.2000113.3L283 W348 N352 Y353 K354 A358L283-F356 HydrophobicContact CD1-CB 3.62Å; L283-F356 HydrophobicContact CD1-CD2 4.15Å; L283-F356 HydrophobicContact CD1-CG 3.92Å; L283-F356 HydrophobicContact CD2-CD2 3.84Å; L283-F356 HydrophobicContact CD2-CE2 4.03Å; L283-F356 HydrophobicContact CD2-CG 4.26Å; L283-F356 HydrophobicContact CG-CB 3.97Å; L283-F356 HydrophobicContact CG-CD1 4.08Å; L283-F356 HydrophobicContact CG-CD2 3.8Å; L283-F356 HydrophobicContact CG-CE2 4.28Å; L283-F356 HydrophobicContact CG-CG 3.68Å; L283-F356 WeakPolarHBondContact O-CD1 3.18Å; W348-F356 AromaticContact CH2-CE2 3.82Å; W348-F356 HydrophobicContact CH2-CE2 3.82Å; W348-F356 HydrophobicContact CH2-CZ 4.03Å; W348-F356 HydrophobicContact CZ2-CE2 4.33Å; W348-F356 HydrophobicContact CZ2-CZ 4.44Å; N352-F356 HydrophobicContact CB-CD2 4.48Å; N352-F356 HydrophobicContact CB-CE2 3.96Å; N352-F356 VanDerWaalsContact O-CD2 3.3Å; N352-F356 WeakPolarHBondContact O-CD2 3.44Å; Y353-F356 PolarHBondContact O-N 2.94Å; K354-F356 VanDerWaalsContact C-N 3.31Å; F356-A358 VanDerWaalsContact C-N 3.25Å; F356-A358 PolarHBondContact O-N 2.69Å
357G86.8Confident89.5Confident39 Ų3963 Ų6340%0.40232%0.317SS..THydrogen-bonded Turntrans72.115.1-17800000114.3Y353 K354 R385Y353-G357 PolarHBondContact O-N 3.04Å; K354-G357 PolarHBondContact O-N 2.99Å; G357-R385 PolarHBondContact O-NH2 3.03Å
358A90Very high89.3Confident5 Ų565.1 Ų65.14%0.04133%0.327CS..PPolyproline II helixtrans-85154.6174.200000110.9L283 V288 Y353 F356L283-A358 HydrophobicContact CD1-CB 3.9Å; V288-A358 HydrophobicContact CB-CB 4.24Å; V288-A358 HydrophobicContact CG1-CB 4.08Å; Y353-A358 WeakPolarHBondContact CD2-O 3.48Å; Y353-A358 PolarHBondContact O-N 3.45Å; F356-A358 VanDerWaalsContact C-N 3.25Å; F356-A358 PolarHBondContact O-N 2.69Å
359T91.1Very high89.3Confident70 Ų7065.5 Ų65.543%0.42933%0.33SS..EExtended strand (participates in β ladder)trans-96.3120.916759.20000109.8E289 I290 L291E289-T359 PolarHBondContact O-N 3.05Å; E289-T359 PolarHBondContact O-OG1 3.49Å; I290-T359 CarbonylContact C-O 3.33Å; I290-T359 WeakPolarHBondContact CA-O 3.42Å; L291-T359 PolarHBondContact N-O 3.32Å
360L92.6Very high89.2Confident32 Ų3265.5 Ų65.517%0.16833%0.33CS..EExtended strand (participates in β ladder)trans-84.4123.1176.7176.765.2000110.4L291 V293 F349 A350 Y353L291-L360 HydrophobicContact CB-CD1 4.49Å; L291-L360 HydrophobicContact CD2-CD1 3.94Å; L291-L360 HydrophobicContact CG-CD1 4.2Å; V293-L360 HydrophobicContact CB-CD1 4.19Å; V293-L360 HydrophobicContact CG2-CD1 3.53Å; F349-L360 HydrophobicContact CB-CD1 4.23Å; F349-L360 HydrophobicContact CB-CD2 4.19Å; A350-L360 HydrophobicContact CB-CD2 4.26Å; Y353-L360 HydrophobicContact CD1-CB 4.22Å; Y353-L360 HydrophobicContact CD1-CD2 4.2Å; Y353-L360 HydrophobicContact CD2-CB 4.28Å; Y353-L360 HydrophobicContact CG-CB 3.96Å
361E91.2Very high89.3Confident92 Ų9264.8 Ų64.843%0.4332%0.322SS..EExtended strand (participates in β ladder)trans-120.5125.2175.4-70.7-68.6169.800109.8L257 I290 L291 I292 V293L257-E361 HydrophobicContact CD2-CB 3.5Å; L257-E361 VanDerWaalsContact CD2-CB 3.5Å; L257-E361 HydrophobicContact CD2-CG 3.8Å; I290-E361 HydrophobicContact CG2-CB 4.28Å; I290-E361 HydrophobicContact CG2-CG 3.78Å; L291-E361 PolarHBondContact O-N 3.13Å; I292-E361 WeakPolarHBondContact CA-O 3.45Å; V293-E361 PolarHBondContact N-O 2.93Å
362I90.8Very high89.3Confident85 Ų8565 Ų6544%0.43632%0.32SS..EExtended strand (participates in β ladder)trans-98.4126.3-178.8-57.6173.1000109.2V293 E295 L346V293-I362 VanDerWaalsContact O-CA 3.32Å; V293-I362 WeakPolarHBondContact O-CA 3.35Å; E295-I362 HydrophobicContact CB-CG2 3.87Å; L346-I362 HydrophobicContact CD1-CD1 4.47Å; L346-I362 HydrophobicContact CD1-CG1 4.45Å
363V91.2Very high89.5Confident1 Ų163.8 Ų63.81%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-117.9160.4-177.2-59.80000112.3E254 L257 I258 I292 V293 Y294 E295 F373E254-V363 HydrophobicContact CG-CB 3.95Å; E254-V363 HydrophobicContact CG-CG1 3.94Å; L257-V363 HydrophobicContact CD2-CG1 4.24Å; I258-V363 HydrophobicContact CD1-CB 4.16Å; I258-V363 HydrophobicContact CD1-CG1 4.19Å; I258-V363 HydrophobicContact CD1-CG2 4.38Å; I258-V363 HydrophobicContact CG1-CG1 4.28Å; I292-V363 HydrophobicContact CG2-CB 4.39Å; I292-V363 HydrophobicContact CG2-CG1 3.67Å; I292-V363 HydrophobicContact CG2-CG2 3.76Å; V293-V363 PolarHBondContact O-N 2.96Å; Y294-V363 WeakPolarHBondContact CD2-O 3.38Å; E295-V363 PolarHBondContact N-O 2.99Å; E295-V363 VanDerWaalsContact N-O 3.12Å; V363-F373 HydrophobicContact CG2-CD1 4.08Å; V363-F373 HydrophobicContact CG2-CE1 4.02Å
364T89.9Confident89.6Confident13 Ų1362.1 Ų62.18%0.0831%0.31CS..  trans-114.3170.3177.7710000111.6E254 E295E254-T364 VanDerWaalsContact OE1-O 3.08Å; E254-T364 WeakPolarHBondContact OE2-CB 2.85Å; E254-T364 PolarHBondContact OE2-N 2.9Å; E254-T364 PolarHBondContact OE2-OG1 3.46Å; E295-T364 HydrophobicContact CG-CG2 4.46Å
365D89.8Confident89.7Confident71 Ų7162.8 Ų62.838%0.3831%0.313SS..SBendtrans-94.98.3179.271.4-26.1000113.2Y294 S367 V374Y294-D365 HydrophobicContact CE2-CB 3.87Å; D365-S367 PolarHBondContact O-N 3.32Å; D365-V374 HydrophobicContact CB-CG2 4.16Å
366K86.3Confident89.6Confident160 Ų16057.8 Ų57.870%0.69631%0.308SS*.  trans-72.8-29.1-174.4-64.4-177.8-178.11750112.8F251F251-K366 HydrophobicContact CD2-CB 4.45Å; F251-K366 HydrophobicContact CE2-CB 4.22Å
367S86.3Confident89.6Confident1 Ų157.5 Ų57.51%0.00731%0.307CS..SBendtrans-81.9153.1178.460.30000110.6F251 E254 D365 E369 G370 S371F251-S367 VanDerWaalsContact CE2-CA 3.42Å; F251-S367 VanDerWaalsContact CE2-CB 3.49Å; E254-S367 PolarHBondContact OE1-OG 2.64Å; D365-S367 PolarHBondContact O-N 3.32Å; S367-E369 VanDerWaalsContact C-N 3.25Å; S367-E369 PolarHBondContact O-N 3.24Å; S367-G370 PolarHBondContact O-N 3.06Å; S367-G370 VanDerWaalsContact OG-CA 3.28Å; S367-G370 WeakPolarHBondContact OG-CA 3.38Å; S367-G370 PolarHBondContact OG-N 3.35Å; S367-S371 WeakPolarHBondContact O-CB 3.35Å; S367-S371 PolarHBondContact O-N 3.02Å
368Q87.3Confident89.6Confident146 Ų14657.9 Ų57.968%0.68231%0.311SS*.Hα-helixtrans-62-41.2176.2-176179.1-200110.2S371 Q372Q368-S371 PolarHBondContact O-N 3.41Å; Q368-Q372 WeakPolarHBondContact O-CG 3.44Å; Q368-Q372 PolarHBondContact O-N 3.31Å; Q368-Q372 VanDerWaalsContact O-N 3.15Å
369E88.6Confident89.5Confident36 Ų3657.7 Ų57.717%0.16831%0.309CS..Hα-helixtrans-65.5-43174.8-60.786.716900111.7K255 I258 F262 S367 Q372 F373K255-E369 WeakPolarHBondContact CE-OE1 3.45Å; K255-E369 IonicContact NZ-OE1 3.31Å; K255-E369 PolarHBondContact NZ-OE1 3.32Å; K255-E369 IonicContact NZ-OE2 3.93Å; I258-E369 HydrophobicContact CB-CB 4.32Å; I258-E369 HydrophobicContact CG2-CB 3.78Å; F262-E369 HydrophobicContact CD2-CB 4.4Å; F262-E369 HydrophobicContact CE2-CB 4.01Å; S367-E369 VanDerWaalsContact C-N 3.25Å; S367-E369 PolarHBondContact O-N 3.24Å; E369-Q372 WeakPolarHBondContact O-CB 3.48Å; E369-Q372 PolarHBondContact O-N 3.47Å; E369-F373 PolarHBondContact O-N 3.21Å
370G89.6Confident89.6Confident0 Ų054.4 Ų54.40%029%0.289CS..Hα-helixtrans-62.5-41.3174.700000112.8S367 Q372 F373 V374S367-G370 PolarHBondContact O-N 3.06Å; S367-G370 VanDerWaalsContact OG-CA 3.28Å; S367-G370 WeakPolarHBondContact OG-CA 3.38Å; S367-G370 PolarHBondContact OG-N 3.35Å; G370-Q372 VanDerWaalsContact C-N 3.29Å; G370-Q372 PolarHBondContact O-N 3.22Å; G370-F373 WeakPolarHBondContact O-CB 3.39Å; G370-F373 PolarHBondContact O-N 3.35Å; G370-F373 VanDerWaalsContact O-N 3.15Å; G370-V374 WeakPolarHBondContact O-CG2 3.34Å; G370-V374 PolarHBondContact O-N 3.08Å
371S90.6Very high89.6Confident34 Ų3452.9 Ų52.924%0.23828%0.281CS..Hα-helixtrans-62.4-37.3174.8-160.20000112.1S367 Q368 K375S367-S371 WeakPolarHBondContact O-CB 3.35Å; S367-S371 PolarHBondContact O-N 3.02Å; Q368-S371 PolarHBondContact O-N 3.41Å; S371-K375 WeakPolarHBondContact O-CB 3.35Å; S371-K375 WeakPolarHBondContact O-CG 3.46Å; S371-K375 PolarHBondContact O-N 3.26Å
372Q90.9Very high89.8Confident103 Ų10348.5 Ų48.548%0.48126%0.261SS..Hα-helixtrans-67.6-40.5172.7-73.6178.9-15.500112.1F262 Q368 E369 G370 G376F262-Q372 HydrophobicContact CE2-CB 4.43Å; F262-Q372 HydrophobicContact CZ-CB 3.99Å; Q368-Q372 WeakPolarHBondContact O-CG 3.44Å; Q368-Q372 PolarHBondContact O-N 3.31Å; Q368-Q372 VanDerWaalsContact O-N 3.15Å; E369-Q372 WeakPolarHBondContact O-CB 3.48Å; E369-Q372 PolarHBondContact O-N 3.47Å; G370-Q372 VanDerWaalsContact C-N 3.29Å; G370-Q372 PolarHBondContact O-N 3.22Å; Q372-G376 VanDerWaalsContact O-CA 3.3Å; Q372-G376 WeakPolarHBondContact O-CA 3.37Å; Q372-G376 PolarHBondContact O-N 2.81Å
373F92.5Very high89.9Confident0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-61.5-46.8176.2179.4-104.4000111.8I258 Y261 F262 I292 V363 E369 G370 F377 G379I258-F373 HydrophobicContact CG2-CB 4.35Å; Y261-F373 HydrophobicContact CD1-CD2 4.15Å; Y261-F373 HydrophobicContact CD1-CE2 4.33Å; Y261-F373 AromaticContact CE1-CD2 3.79Å; Y261-F373 HydrophobicContact CE1-CD2 3.79Å; Y261-F373 AromaticContact CE1-CE2 3.86Å; Y261-F373 HydrophobicContact CE1-CE2 3.86Å; F262-F373 HydrophobicContact CZ-CB 4.39Å; I292-F373 HydrophobicContact CB-CZ 4.03Å; I292-F373 HydrophobicContact CG2-CE1 3.83Å; I292-F373 HydrophobicContact CG2-CE2 4.37Å; I292-F373 HydrophobicContact CG2-CZ 3.7Å; V363-F373 HydrophobicContact CG2-CD1 4.08Å; V363-F373 HydrophobicContact CG2-CE1 4.02Å; E369-F373 PolarHBondContact O-N 3.21Å; G370-F373 WeakPolarHBondContact O-CB 3.39Å; G370-F373 PolarHBondContact O-N 3.35Å; G370-F373 VanDerWaalsContact O-N 3.15Å; F373-F377 HydrophobicContact CD2-CB 4.32Å; F373-F377 CarbonylContact O-C 3.53Å; F373-F377 WeakPolarHBondContact O-CA 3.47Å; F373-F377 WeakPolarHBondContact O-CB 3.4Å; F373-F377 PolarHBondContact O-N 2.98Å; F373-G379 PolarHBondContact O-N 3.43Å
374V91.1Very high90.1Very high33 Ų3344.6 Ų44.620%0.224%0.241CC..Hα-helixtrans-67.1-49.9179.7176.80000111.6Y294 D365 G370 G378 G379Y294-V374 HydrophobicContact CD1-CG1 4.04Å; Y294-V374 HydrophobicContact CD1-CG2 3.98Å; Y294-V374 HydrophobicContact CD2-CG2 3.59Å; Y294-V374 HydrophobicContact CE1-CG1 3.99Å; Y294-V374 HydrophobicContact CE1-CG2 4.29Å; Y294-V374 HydrophobicContact CE2-CG2 4Å; Y294-V374 HydrophobicContact CG-CG2 3.61Å; D365-V374 HydrophobicContact CB-CG2 4.16Å; G370-V374 WeakPolarHBondContact O-CG2 3.34Å; G370-V374 PolarHBondContact O-N 3.08Å; V374-G378 WeakPolarHBondContact O-CA 3.5Å; V374-G378 PolarHBondContact O-N 3.23Å; V374-G379 PolarHBondContact O-N 2.82Å
375K89.5Confident90.2Very high175 Ų17549.9 Ų49.976%0.76126%0.259SS*.Hα-helixtrans-77.1-33.1-175.9-68.4177.9179.51710114S371S371-K375 WeakPolarHBondContact O-CB 3.35Å; S371-K375 WeakPolarHBondContact O-CG 3.46Å; S371-K375 PolarHBondContact O-N 3.26Å
376G87.7Confident90.2Very high59 Ų5952 Ų5261%0.60826%0.263SS*.Hα-helixtrans-90.2-37.5-175.600000113.5Q372Q372-G376 VanDerWaalsContact O-CA 3.3Å; Q372-G376 WeakPolarHBondContact O-CA 3.37Å; Q372-G376 PolarHBondContact O-N 2.81Å
377F87.7Confident90.4Very high52 Ų5252.6 Ų52.623%0.22826%0.261CS..Hα-helixtrans-116.710.1-171.3-60.8-89.4000113.3F262 I265 F274 F373 G379F262-F377 HydrophobicContact CE1-CD2 4.14Å; F262-F377 AromaticContact CE1-CE2 3.54Å; F262-F377 HydrophobicContact CE1-CE2 3.54Å; F262-F377 HydrophobicContact CE1-CZ 4.19Å; F262-F377 HydrophobicContact CZ-CE2 4.27Å; I265-F377 HydrophobicContact CD1-CE1 3.86Å; I265-F377 HydrophobicContact CD1-CZ 3.83Å; F274-F377 HydrophobicContact CB-CB 4.27Å; F274-F377 HydrophobicContact CB-CD1 3.7Å; F274-F377 HydrophobicContact CB-CG 4.45Å; F274-F377 HydrophobicContact CD1-CD1 4.44Å; F274-F377 HydrophobicContact CD2-CD1 4.3Å; F274-F377 AromaticContact CG-CD1 3.9Å; F274-F377 HydrophobicContact CG-CD1 3.9Å; F373-F377 HydrophobicContact CD2-CB 4.32Å; F373-F377 CarbonylContact O-C 3.53Å; F373-F377 WeakPolarHBondContact O-CA 3.47Å; F373-F377 WeakPolarHBondContact O-CB 3.4Å; F373-F377 PolarHBondContact O-N 2.98Å; F377-G379 VanDerWaalsContact C-N 3.29Å; F377-G379 PolarHBondContact O-N 2.96Å
378G86.3Confident90.3Very high47 Ų4753.3 Ų53.349%0.48527%0.265SS..THydrogen-bonded Turntrans7415.717500000114.7L297 V374 I380L297-G378 WeakPolarHBondContact CD1-O 3.4Å; V374-G378 WeakPolarHBondContact O-CA 3.5Å; V374-G378 PolarHBondContact O-N 3.23Å; G378-I380 PolarHBondContact O-N 3.35Å
379G88.9Confident90Very high1 Ų151.2 Ų51.21%0.0126%0.258CS..THydrogen-bonded Turntrans7310.5174.900000115.3Y294 F373 V374 F377Y294-G379 VanDerWaalsContact CB-O 3.27Å; Y294-G379 WeakPolarHBondContact CB-O 3.46Å; Y294-G379 PolarHBondContact N-O 2.99Å; F373-G379 PolarHBondContact O-N 3.43Å; V374-G379 PolarHBondContact O-N 2.82Å; F377-G379 VanDerWaalsContact C-N 3.29Å; F377-G379 PolarHBondContact O-N 2.96Å
380I93.3Very high89.3Confident2 Ų250.9 Ų50.91%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-136.4136175.2-172.2171.7000110.4G275 V276 T279 L297 L345 F349 G378G275-I380 PolarHBondContact N-O 2.83Å; V276-I380 HydrophobicContact CG2-CD1 4.39Å; V276-I380 HydrophobicContact CG2-CG2 3.94Å; T279-I380 HydrophobicContact CG2-CD1 4.18Å; T279-I380 HydrophobicContact CG2-CG1 4.06Å; L297-I380 HydrophobicContact CD2-CB 4.5Å; L297-I380 HydrophobicContact CD2-CD1 4.46Å; L345-I380 HydrophobicContact CD2-CD1 4.31Å; F349-I380 HydrophobicContact CE2-CD1 3.63Å; F349-I380 HydrophobicContact CZ-CD1 3.71Å; G378-I380 PolarHBondContact O-N 3.35Å
381G93.1Very high88.1Confident0 Ų058 Ų580%029%0.289CS..EExtended strand (participates in β ladder)trans-173.5-178.8174.600000111.8C273 I292C273-G381 CarbonylContact O-C 3.54Å; C273-G381 WeakPolarHBondContact O-CA 3.4Å; I292-G381 PolarHBondContact N-O 3.01Å; I292-G381 PolarHBondContact O-N 3.33Å
382G93.8Very high86.5Confident0 Ų057.8 Ų57.80%029%0.293CS..EExtended strand (participates in β ladder)trans-157.5154.5-179.800000113.2Y272 C273 I290Y272-G382 VanDerWaalsContact CA-O 3.31Å; Y272-G382 WeakPolarHBondContact CA-O 3.5Å; C273-G382 PolarHBondContact N-O 3.18Å; C273-G382 PolarHBondContact O-N 3.03Å; C273-G382 PolarHBondContact SG-N 3.31Å; C273-G382 VanDerWaalsContact SG-N 3.43Å; I290-G382 CarbonylContact O-C 3.6Å; I290-G382 WeakPolarHBondContact O-CA 3.33Å
383I94.8Very high84.9Confident2 Ų256.5 Ų56.51%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-95.5124168.6-59.5172.5000107.1R260 Y261 E289 I290 I292R260-I383 HydrophobicContact CG-CD1 4.11Å; Y261-I383 HydrophobicContact CD2-CG1 4.02Å; E289-I383 WeakPolarHBondContact CA-O 3.47Å; E289-I383 WeakPolarHBondContact CB-O 3.49Å; E289-I383 PolarHBondContact N-O 2.92Å; I290-I383 HydrophobicContact CB-CB 4.32Å; I290-I383 HydrophobicContact CD1-CD1 4.36Å; I290-I383 PolarHBondContact N-O 3.36Å; I290-I383 VanDerWaalsContact N-O 3.15Å; I290-I383 PolarHBondContact O-N 3.24Å; I292-I383 HydrophobicContact CD1-CD1 4.42Å; I292-I383 HydrophobicContact CD1-CG1 4.43Å
384L94.1Very high82.9Confident2 Ų261.7 Ų61.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-90.7147.4-177.3-52.4177000110.9K271 C273 A282 A287 V288 Y386 V388 F390K271-L384 HydrophobicContact CB-CB 4.46Å; K271-L384 PolarHBondContact O-N 2.95Å; C273-L384 HydrophobicContact CB-CD2 4.34Å; A282-L384 HydrophobicContact CB-CD2 3.83Å; A287-L384 HydrophobicContact CB-CD2 4.3Å; A287-L384 CarbonylContact O-C 3.57Å; A287-L384 WeakPolarHBondContact O-CA 3.18Å; V288-L384 HydrophobicContact CB-CD2 4.41Å; V288-L384 HydrophobicContact CG2-CD2 3.77Å; L384-Y386 VanDerWaalsContact C-N 3.32Å; L384-Y386 VanDerWaalsContact CB-O 3.31Å; L384-Y386 WeakPolarHBondContact CB-O 3.49Å; L384-V388 HydrophobicContact CD1-CB 3.93Å; L384-V388 HydrophobicContact CD1-CG2 3.92Å; L384-F390 HydrophobicContact CD1-CE2 3.79Å; L384-F390 HydrophobicContact CD1-CZ 3.8Å
385R91.6Very high80.7Confident123 Ų12370 Ų7046%0.46434%0.341SS..SBendtrans-66.8-36.6176.1-63.7173.5-177.2-168.3-1.9111.7A287 V288 E289 G357A287-R385 WeakPolarHBondContact O-CG 3.09Å; A287-R385 PolarHBondContact O-N 3.16Å; V288-R385 PolarHBondContact O-NE 3.37Å; E289-R385 HydrophobicContact CB-CG 3.64Å; E289-R385 HydrophobicContact CG-CG 4.25Å; G357-R385 PolarHBondContact O-NH2 3.03Å
386Y90.5Very high78.3Confident117 Ų11769.7 Ų69.746%0.45934%0.343SS..SBendtrans-139.4163.5-178.655.4-91.1000109.9A287 L384 V388A287-Y386 HydrophobicContact CB-CE1 4.06Å; A287-Y386 HydrophobicContact CB-CE2 4.14Å; L384-Y386 VanDerWaalsContact C-N 3.32Å; L384-Y386 VanDerWaalsContact CB-O 3.31Å; L384-Y386 WeakPolarHBondContact CB-O 3.49Å; Y386-V388 HydrophobicContact CD2-CG2 3.98Å; Y386-V388 HydrophobicContact CE2-CG2 3.75Å; Y386-V388 PolarHBondContact O-N 3.09Å
387R89.9Confident75.9Confident172 Ų17270.3 Ų70.365%0.64935%0.349SS*.  trans-68128.5179.7-179.6173.1-179.4168.94.8109.6G270G270-R387 WeakPolarHBondContact O-CA 3.25Å
388V85.9Confident73.3Confident16 Ų1669.9 Ų69.910%0.09736%0.36CS..  trans-119.1136.8174.9-179.80000108G270 M285 A287 L384 Y386 F390 M393G270-V388 PolarHBondContact O-N 3.02Å; M285-V388 HydrophobicContact SD-CG1 4.47Å; A287-V388 HydrophobicContact CB-CG2 3.77Å; L384-V388 HydrophobicContact CD1-CB 3.93Å; L384-V388 HydrophobicContact CD1-CG2 3.92Å; Y386-V388 HydrophobicContact CD2-CG2 3.98Å; Y386-V388 HydrophobicContact CE2-CG2 3.75Å; Y386-V388 PolarHBondContact O-N 3.09Å; V388-F390 HydrophobicContact CB-CE2 4.05Å; V388-F390 HydrophobicContact CB-CZ 4.02Å; V388-F390 HydrophobicContact CG1-CD1 4.35Å; V388-F390 HydrophobicContact CG1-CE1 4Å; V388-F390 HydrophobicContact CG1-CE2 4.2Å; V388-F390 HydrophobicContact CG1-CZ 3.91Å; V388-M393 HydrophobicContact CG1-CE 4.41Å
389D81Confident70.9Confident102 Ų10274.2 Ų74.255%0.54537%0.372SS..  trans-99.499.8176.3-167-9000109.4Q391 G392D389-Q391 PolarHBondContact OD1-N 3.45Å; D389-G392 PolarHBondContact OD1-N 3.03Å
390F72.8Confident68.5Low28 Ų2882.3 Ų82.312%0.12342%0.415CS..SBendtrans-74.2-31.1179.7-64.2-78.4000112C273 D278 A282 L384 V388 G392 M393 E394C273-F390 HydrophobicContact CB-CE2 4.05Å; C273-F390 HydrophobicContact CB-CZ 3.73Å; D278-F390 HydrophobicContact CB-CD1 3.93Å; D278-F390 HydrophobicContact CB-CE1 4.05Å; D278-F390 HydrophobicContact CB-CG 4.42Å; D278-F390 WeakPolarHBondContact O-CE1 3.44Å; A282-F390 HydrophobicContact CB-CE1 3.93Å; A282-F390 HydrophobicContact CB-CZ 3.86Å; L384-F390 HydrophobicContact CD1-CE2 3.79Å; L384-F390 HydrophobicContact CD1-CZ 3.8Å; V388-F390 HydrophobicContact CB-CE2 4.05Å; V388-F390 HydrophobicContact CB-CZ 4.02Å; V388-F390 HydrophobicContact CG1-CD1 4.35Å; V388-F390 HydrophobicContact CG1-CE1 4Å; V388-F390 HydrophobicContact CG1-CE2 4.2Å; V388-F390 HydrophobicContact CG1-CZ 3.91Å; F390-G392 PolarHBondContact O-N 3.06Å; F390-M393 PolarHBondContact O-N 3.26Å; F390-E394 PolarHBondContact O-N 3.19Å
391Q64.9Low65.9Low149 Ų14989.5 Ų89.570%0.69645%0.448SS*.Hα-helixtrans-68.3-36.6-178.9-65.7-179.8-6.400111.5D389 M393 Y395D389-Q391 PolarHBondContact OD1-N 3.45Å; Q391-M393 PolarHBondContact O-N 3.48Å; Q391-Y395 PolarHBondContact O-N 3.3Å
392G57.6Low63.2Low31 Ų3198.3 Ų98.332%0.3249%0.487SS..Hα-helixtrans-66.4-23.2174.700000114.2D389 F390D389-G392 PolarHBondContact OD1-N 3.03Å; F390-G392 PolarHBondContact O-N 3.06Å
393M55.4Low60.5Low75 Ų75107.1 Ų107.137%0.36953%0.525SS..Hα-helixtrans-88-32.5-179.6-70.1-176.9-177.800113.2M285 V388 F390 Q391 Y395 Q396 G397M285-M393 HydrophobicContact CE-CE 3.67Å; M285-M393 HydrophobicContact CE-SD 3.18Å; M285-M393 WeakPolarHBondContact CE-SD 3.45Å; M285-M393 HydrophobicContact SD-CE 3.64Å; M285-M393 HydrophobicContact SD-SD 3.9Å; V388-M393 HydrophobicContact CG1-CE 4.41Å; F390-M393 PolarHBondContact O-N 3.26Å; Q391-M393 PolarHBondContact O-N 3.48Å; M393-Y395 VanDerWaalsContact C-N 3.29Å; M393-Q396 PolarHBondContact O-N 3.47Å; M393-G397 PolarHBondContact O-N 3.06Å
394E51.4Low57.8Low110 Ų110113.3 Ų113.351%0.51456%0.558SS.*Hα-helixtrans-64-37170.8-72.7-173.7149.800111.5F390 Q396 G397 G398F390-E394 PolarHBondContact O-N 3.19Å; E394-Q396 VanDerWaalsContact C-N 3.3Å; E394-Q396 PolarHBondContact O-N 3.15Å; E394-G397 PolarHBondContact O-N 3.32Å; E394-G398 PolarHBondContact O-N 3.25Å
395Y45.1Very low55.6Low206 Ų206120.5 Ų120.581%0.80860%0.596SS**Hα-helixtrans-69.4-20.6176.6-98-88.4000114.7Q391 M393Q391-Y395 PolarHBondContact O-N 3.3Å; M393-Y395 VanDerWaalsContact C-N 3.29Å
396Q38.8Very low53.5Low170 Ų170121.9 Ų121.979%0.79461%0.613SS**Hα-helixtrans-90.4-13.2176-76.3-178.8-3.400113.2M393 E394M393-Q396 PolarHBondContact O-N 3.47Å; E394-Q396 VanDerWaalsContact C-N 3.3Å; E394-Q396 PolarHBondContact O-N 3.15Å
397G36.8Very low51.4Low71 Ų71124 Ų12473%0.73263%0.632SS**Hα-helixtrans-97-9.3177.300000114.4M393 E394M393-G397 PolarHBondContact O-N 3.06Å; E394-G397 PolarHBondContact O-N 3.32Å
398G33.3Very low49.1Very low44 Ų44129.9 Ų129.945%0.45466%0.656SS.*SBendtrans-103.6106173.400000110.1E394E394-G398 PolarHBondContact O-N 3.25Å
399D37Very low47.3Very low138 Ų138135.6 Ų135.674%0.73868%0.684SS**  trans59.396.8167.2-55-30.6000116.3E401D399-E401 HydrophobicContact CB-CG 4.22Å; D399-E401 PolarHBondContact O-N 2.69Å
400D38.3Very low45.5Very low171 Ų171137.4 Ų137.491%0.91469%0.692SS**  trans-6070.8140.7-82.7-33.6000108.1F402D400-F402 VanDerWaalsContact C-N 3.28Å; D400-F402 PolarHBondContact O-N 3.38Å
401E37.8Very low44Very low153 Ų153143.4 Ų143.472%0.71572%0.723SS**  trans-66.298.2160.4-95.1-170.6174.900106.6D399 F403D399-E401 HydrophobicContact CB-CG 4.22Å; D399-E401 PolarHBondContact O-N 2.69Å; E401-F403 PolarHBondContact O-N 3.25Å
402F36.3Very low42.8Very low184 Ų184143.1 Ų143.181%0.80773%0.725SS**  trans-40.499.9160.4-130.7-101.1000108.7D400 D404D400-F402 VanDerWaalsContact C-N 3.28Å; D400-F402 PolarHBondContact O-N 3.38Å; F402-D404 VanDerWaalsContact C-N 3.29Å; F402-D404 PolarHBondContact O-N 3.22Å
403F36.3Very low41.9Very low186 Ų186150.1 Ų150.182%0.81675%0.75SS**  trans-68.193.7165.8-91.9-95.2000107.1E401 L405E401-F403 PolarHBondContact O-N 3.25Å; F403-L405 PolarHBondContact O-N 2.89Å
404D39.8Very low41Very low131 Ų131155.1 Ų155.170%0.70178%0.776SS**  trans-61.4106.6166.9-98.7-21.1000108.4F402 D406F402-D404 VanDerWaalsContact C-N 3.29Å; F402-D404 PolarHBondContact O-N 3.22Å; D404-D406 PolarHBondContact O-N 3.26Å
405L48.1Very low40.2Very low154 Ų154158.4 Ų158.481%0.80679%0.794SS**  trans-81.723.4-178.7-95.2161.3000113.3F403F403-L405 PolarHBondContact O-N 2.89Å
406D46.1Very low39.8Very low152 Ų152154.7 Ų154.781%0.81379%0.793SS**  trans-97.210.2-174.3-91-0.5000114.6D404D404-D406 PolarHBondContact O-N 3.26Å
407D46.3Very low39.9Very low162 Ų162153.4 Ų153.487%0.86679%0.793SS**  trans-120.555.2176.2-107.2-7.7000112.8
408Y42.9Very low40.2Very low295 Ų295160.9 Ų160.9100%1.15780%0.799SS**  trans-137.70165.1-114.6-83000114.5

Retrieved 408 of 408 residues in 817.5 ms (Link to these results)

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