A0A077YVM8_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 799 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
1M43Very low67.2Low200 Ų200102.8 Ų102.899%0.98555%0.552SS**  0-32.90-83.3-169.8-76.400110.7E3 L4M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-L4 VanDerWaalsContact O-N 3.1Å
2D52.6Low68.9Low125 Ų125104.3 Ų104.367%0.66856%0.559SS**G310 helixtrans-59.4-31.7-172.4-45.6-83.4000114.3L4 L5D2-L4 PolarHBondContact O-N 3.38Å; D2-L4 VanDerWaalsContact O-N 3.13Å; D2-L5 WeakPolarHBondContact O-CB 2.91Å; D2-L5 PolarHBondContact O-N 3.34Å
3E52.8Low70.7Confident162 Ų162102.1 Ų102.176%0.75754%0.544SS*.G310 helixtrans-56.7-27.9175.3-64.9173.5135.400113.7M1 L5M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.49Å; E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.09Å
4L58.5Low72.3Confident51 Ų5194.8 Ų94.827%0.26751%0.505SS..G310 helixtrans-75.5-15.8176.7-88.6159.8000113.6M1 D2 Q8 N48 P56M1-L4 PolarHBondContact O-N 3.4Å; M1-L4 VanDerWaalsContact O-N 3.1Å; D2-L4 PolarHBondContact O-N 3.38Å; D2-L4 VanDerWaalsContact O-N 3.13Å; L4-Q8 WeakPolarHBondContact O-CG 3.47Å; L4-Q8 PolarHBondContact O-NE2 3.3Å; L4-N48 HydrophobicContact CD2-CB 4.31Å; L4-P56 HydrophobicContact CD1-CB 3.99Å; L4-P56 HydrophobicContact CD1-CG 4.37Å; L4-P56 HydrophobicContact CD2-CB 4.12Å
5L58.8Low73.8Confident106 Ų10690.4 Ų90.456%0.55548%0.483SS*.THydrogen-bonded Turntrans-85.7-23.3-179.7-64.5170.7000112.9D2 E3 Y7 Q8D2-L5 WeakPolarHBondContact O-CB 2.91Å; D2-L5 PolarHBondContact O-N 3.34Å; E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.09Å; L5-Y7 PolarHBondContact O-N 3.2Å; L5-Y7 VanDerWaalsContact O-N 3.08Å; L5-Q8 PolarHBondContact O-N 3.11Å
6V63Low75.1Confident94 Ų9484.9 Ų84.957%0.5745%0.454SS*.THydrogen-bonded Turntrans-58.9-27.5-172.3-172.30000113.1
7Y71.2Confident76.4Confident77 Ų7780.2 Ų80.230%0.30243%0.429SS..THydrogen-bonded Turntrans-127.742.2179.6-54.4-71.5000112.2L5 N48 A58 A60 D74 K98L5-Y7 PolarHBondContact O-N 3.2Å; L5-Y7 VanDerWaalsContact O-N 3.08Å; Y7-N48 PolarHBondContact O-ND2 2.69Å; Y7-A58 HydrophobicContact CD2-CB 4.42Å; Y7-A60 HydrophobicContact CD1-CB 3.59Å; Y7-A60 HydrophobicContact CD2-CB 3.99Å; Y7-A60 HydrophobicContact CE1-CB 3.49Å; Y7-A60 VanDerWaalsContact CE1-CB 3.49Å; Y7-A60 HydrophobicContact CE2-CB 3.9Å; Y7-A60 HydrophobicContact CG-CB 3.85Å; Y7-D74 WeakPolarHBondContact CE2-O 3.3Å; Y7-D74 VanDerWaalsContact CZ-O 3.23Å; Y7-D74 PolarHBondContact OH-O 2.88Å; Y7-K98 PolarHBondContact O-NZ 3.41Å
8Q81Confident77.6Confident104 Ų10475.8 Ų75.849%0.48641%0.405SS..  trans-110.3128.3164.6-69.6-178.332.900109.4L4 L5L4-Q8 WeakPolarHBondContact O-CG 3.47Å; L4-Q8 PolarHBondContact O-NE2 3.3Å; L5-Q8 PolarHBondContact O-N 3.11Å
9C88.7Confident78.5Confident28 Ų2871.8 Ų71.819%0.18938%0.384CS..  trans-76.5150.7175.1-52.20000110.7E13 T15 C100C9-E13 VanDerWaalsContact CA-OE2 3.31Å; C9-E13 WeakPolarHBondContact CA-OE2 3.43Å; C9-E13 HydrophobicContact CB-CB 3.86Å; C9-E13 WeakPolarHBondContact CB-OE2 3.34Å; C9-T15 PolarHBondContact SG-OG1 3.43Å; C9-C100 WeakPolarHBondContact CA-SG 3.4Å; C9-C100 HydrophobicContact CB-CB 3.65Å; C9-C100 WeakPolarHBondContact CB-SG 3.13Å; C9-C100 VanDerWaalsContact SG-CA 3.52Å; C9-C100 WeakPolarHBondContact SG-CB 3.36Å; C9-C100 CovalentContact SG-SG 2.03Å; C9-C100 PolarHBondContact SG-SG 3.01Å
10G86.5Confident79.4Confident39 Ų3968.9 Ų68.940%0.40237%0.368SS..  trans-66.4168175.300000113.2N12 E13G10-N12 PolarHBondContact O-N 3.05Å; G10-E13 PolarHBondContact N-OE2 3.41Å; G10-E13 PolarHBondContact O-N 2.93Å; G10-E13 VanDerWaalsContact O-N 3.14Å
11T83Confident80Confident145 Ų14566.8 Ų66.889%0.8936%0.359SS*.THydrogen-bonded Turntrans-62.3-17.5-178.257.30000114.6
12N87.3Confident82.3Confident120 Ų12061.1 Ų61.164%0.64233%0.326SS*.THydrogen-bonded Turntrans-110.820.3-176.2-58.612.9000111.5G10 G103G10-N12 PolarHBondContact O-N 3.05Å; N12-G103 PolarHBondContact O-N 2.84Å
13E93Very high84.3Confident76 Ų7655.5 Ų55.536%0.35530%0.297SS..EExtended strand (participates in β ladder)trans-127.7138.4-175.5-63.7175.117200111.1C9 G10 C100 L101 P102C9-E13 VanDerWaalsContact CA-OE2 3.31Å; C9-E13 WeakPolarHBondContact CA-OE2 3.43Å; C9-E13 HydrophobicContact CB-CB 3.86Å; C9-E13 WeakPolarHBondContact CB-OE2 3.34Å; G10-E13 PolarHBondContact N-OE2 3.41Å; G10-E13 PolarHBondContact O-N 2.93Å; G10-E13 VanDerWaalsContact O-N 3.14Å; E13-C100 HydrophobicContact CB-CB 4.2Å; E13-C100 WeakPolarHBondContact OE2-CB 3.38Å; E13-L101 CarbonylContact C-O 3.2Å; E13-L101 VanDerWaalsContact CA-O 3.28Å; E13-L101 WeakPolarHBondContact CA-O 3.46Å; E13-P102 HydrophobicContact CG-CB 4.47Å
14A93.1Very high86.3Confident0 Ų051.3 Ų51.30%027%0.274CS..EExtended strand (participates in β ladder)trans-90.5118.5172.300000110.9V16 L101 I104 A109A14-V16 HydrophobicContact CB-CG1 4.49Å; A14-V16 PolarHBondContact O-N 2.95Å; A14-L101 PolarHBondContact N-O 2.83Å; A14-L101 PolarHBondContact O-N 2.75Å; A14-I104 HydrophobicContact CB-CG2 4.27Å; A14-A109 HydrophobicContact CB-CB 3.47Å; A14-A109 VanDerWaalsContact CB-CB 3.47Å
15T94.7Very high88.1Confident29 Ų2949.1 Ų49.118%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-69120168.7-36.70000110.3C9 K46 K98 S111C9-T15 PolarHBondContact SG-OG1 3.43Å; T15-K46 HydrophobicContact CG2-CG 3.82Å; T15-K46 VanDerWaalsContact O-CE 3.28Å; T15-K46 WeakPolarHBondContact O-CE 3.38Å; T15-K98 HydrophobicContact CG2-CD 4.37Å; T15-K98 VanDerWaalsContact CG2-CE 3.48Å; T15-K98 HydrophobicContact CG2-CG 4.03Å; T15-S111 WeakPolarHBondContact O-CB 3.26Å
16V95.3Very high89.8Confident3 Ų347.4 Ų47.42%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-132.4178.6178.9-60.50000111.1A14 V99 L101 A109 T116A14-V16 HydrophobicContact CB-CG1 4.49Å; A14-V16 PolarHBondContact O-N 2.95Å; V16-V99 HydrophobicContact CG2-CB 4.08Å; V16-V99 HydrophobicContact CG2-CG1 4.48Å; V16-V99 PolarHBondContact N-O 2.99Å; V16-V99 PolarHBondContact O-N 3.28Å; V16-L101 HydrophobicContact CG1-CD1 4.06Å; V16-L101 HydrophobicContact CG1-CG 4.46Å; V16-L101 HydrophobicContact CG2-CD1 3.82Å; V16-L101 HydrophobicContact CG2-CD2 4.5Å; V16-L101 HydrophobicContact CG2-CG 3.72Å; V16-A109 HydrophobicContact CG1-CB 3.68Å; V16-T116 WeakPolarHBondContact CB-OG1 3.31Å; V16-T116 HydrophobicContact CG1-CG2 4.46Å; V16-T116 VanDerWaalsContact CG1-OG1 3.27Å; V16-T116 WeakPolarHBondContact CG1-OG1 3.43Å
17F96.6Very high91.1Very high5 Ų545.9 Ų45.92%0.02226%0.26CS..EExtended strand (participates in β ladder)trans-121.2146.3163.5-62.1-88.7000111.9A42 C45 K46 F62 Y96 E97 K98 S114 H115 T116F17-A42 HydrophobicContact CD2-CB 3.77Å; F17-A42 HydrophobicContact CE2-CB 3.6Å; F17-A42 WeakPolarHBondContact CE2-O 3.39Å; F17-A42 HydrophobicContact CZ-CB 4.39Å; F17-A42 WeakPolarHBondContact CZ-O 3.47Å; F17-C45 HydrophobicContact CE1-CB 4.06Å; F17-C45 HydrophobicContact CZ-CB 3.79Å; F17-K46 HydrophobicContact CE2-CB 4.15Å; F17-K46 HydrophobicContact CZ-CB 4.29Å; F17-F62 HydrophobicContact CD1-CD1 4.37Å; F17-F62 AromaticContact CD1-CE1 3.85Å; F17-F62 HydrophobicContact CD1-CE1 3.85Å; F17-F62 AromaticContact CE1-CD1 4Å; F17-F62 HydrophobicContact CE1-CD1 4Å; F17-F62 AromaticContact CE1-CE1 3.69Å; F17-F62 HydrophobicContact CE1-CE1 3.69Å; F17-F62 HydrophobicContact CE2-CE1 4.49Å; F17-F62 HydrophobicContact CG-CE1 4.33Å; F17-F62 HydrophobicContact CZ-CE1 4.04Å; F17-Y96 HydrophobicContact CB-CD1 4.19Å; F17-E97 CarbonylContact C-O 3.31Å; F17-E97 VanDerWaalsContact CA-O 3.22Å; F17-E97 WeakPolarHBondContact CA-O 3.48Å; F17-K98 HydrophobicContact CD1-CB 4.06Å; F17-K98 HydrophobicContact CE1-CB 3.64Å; F17-K98 HydrophobicContact CE1-CG 3.91Å; F17-K98 HydrophobicContact CZ-CB 4.42Å; F17-K98 HydrophobicContact CZ-CG 4.2Å; F17-S114 WeakPolarHBondContact CB-O 3.35Å; F17-S114 WeakPolarHBondContact CD2-O 3.43Å; F17-H115 HydrophobicContact CB-CB 4.15Å; F17-H115 WeakPolarHBondContact O-CA 3.39Å; F17-H115 WeakPolarHBondContact O-CB 3.43Å; F17-T116 PolarHBondContact O-N 2.85Å
18I97.2Very high92.1Very high0 Ų048.6 Ų48.60%028%0.284CS..EExtended strand (participates in β ladder)trans-103.3121.6164.1-56.4-180000107.6E97 V99 F117 R119 L142 F190I18-E97 HydrophobicContact CB-CB 4.35Å; I18-E97 PolarHBondContact N-O 3.31Å; I18-E97 PolarHBondContact O-N 2.7Å; I18-V99 HydrophobicContact CD1-CB 4.41Å; I18-V99 HydrophobicContact CD1-CG1 4.43Å; I18-V99 HydrophobicContact CD1-CG2 3.77Å; I18-V99 HydrophobicContact CG1-CB 4.39Å; I18-V99 HydrophobicContact CG1-CG2 3.92Å; I18-F117 WeakPolarHBondContact CA-O 3.46Å; I18-R119 HydrophobicContact CG2-CB 3.46Å; I18-R119 VanDerWaalsContact CG2-CB 3.46Å; I18-R119 HydrophobicContact CG2-CG 4.41Å; I18-L142 HydrophobicContact CD1-CD1 3.45Å; I18-L142 VanDerWaalsContact CD1-CD1 3.45Å; I18-L142 HydrophobicContact CG1-CD1 4.28Å; I18-F190 HydrophobicContact CD1-CE1 4.19Å; I18-F190 HydrophobicContact CG2-CD1 4.24Å; I18-F190 HydrophobicContact CG2-CE1 4.14Å
19R96.2Very high92.7Very high1 Ų145 Ų450%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-88.7140.8177.9-170.3173.581171.6-7.2111.1S21 F94 Y95 Y96 H115 F117 E118 R119 D262 E263R19-S21 PolarHBondContact NE-OG 3.34Å; R19-F94 HydrophobicContact CG-CD1 4.41Å; R19-Y95 CarbonylContact C-O 3.59Å; R19-Y95 WeakPolarHBondContact CA-O 3.49Å; R19-Y96 HydrophobicContact CB-CD1 4.29Å; R19-Y96 HydrophobicContact CB-CE1 4.19Å; R19-Y96 VanDerWaalsContact CD-OH 3.31Å; R19-Y96 WeakPolarHBondContact CD-OH 3.32Å; R19-Y96 HydrophobicContact CG-CD1 4.34Å; R19-Y96 HydrophobicContact CG-CE1 3.97Å; R19-Y96 HydrophobicContact CG-CE2 4.3Å; R19-H115 HydrophobicContact CB-CB 3.92Å; R19-H115 VanDerWaalsContact CB-CD2 3.47Å; R19-H115 WeakPolarHBondContact CB-CD2 3.45Å; R19-H115 PolarHBondContact NE-NE2 2.78Å; R19-F117 PolarHBondContact N-O 2.85Å; R19-E118 HydrophobicContact CB-CG 4.47Å; R19-E118 IonicContact NH2-OE2 3.95Å; R19-E118 CarbonylContact O-C 3.55Å; R19-E118 WeakPolarHBondContact O-CA 3.3Å; R19-R119 PolarHBondContact O-N 2.75Å; R19-D262 IonicContact CZ-OD2 3.6Å; R19-D262 IonicContact NH1-OD1 3.3Å; R19-D262 IonicContact NH1-OD2 2.91Å; R19-D262 PolarHBondContact NH1-OD2 2.84Å; R19-D262 IonicContact NH2-OD2 2.69Å; R19-D262 PolarHBondContact NH2-OD2 3.21Å; R19-E263 IonicContact CZ-OE1 2.73Å; R19-E263 IonicContact NH1-OE1 2.91Å; R19-E263 PolarHBondContact NH1-OE1 2.95Å; R19-E263 IonicContact NH2-OE1 3.54Å; R19-E263 PolarHBondContact NH2-OE1 3.29Å
20I95.8Very high92.8Very high13 Ų1346.9 Ų46.97%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-117.4109161.2-52.1179.6000107.3A23 L85 Y95 R119 R121I20-A23 HydrophobicContact CB-CB 3.9Å; I20-A23 HydrophobicContact CG2-CB 3.55Å; I20-L85 HydrophobicContact CD1-CD1 4Å; I20-Y95 HydrophobicContact CB-CD1 4.22Å; I20-Y95 HydrophobicContact CD1-CD1 3.85Å; I20-Y95 HydrophobicContact CD1-CE1 4.23Å; I20-Y95 HydrophobicContact CG1-CD1 4.03Å; I20-Y95 PolarHBondContact N-O 2.86Å; I20-Y95 PolarHBondContact O-N 3.45Å; I20-R119 HydrophobicContact CD1-CG 4.48Å; I20-R119 HydrophobicContact CG1-CB 4.11Å; I20-R119 HydrophobicContact CG1-CG 4.34Å; I20-R121 HydrophobicContact CD1-CG 4.26Å
21S92.1Very high93Very high25 Ų2545.5 Ų45.518%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-68142.2175.7-53.20000110.7R19 A23 E118R19-S21 PolarHBondContact NE-OG 3.34Å; S21-A23 VanDerWaalsContact C-N 3.35Å; S21-A23 PolarHBondContact O-N 3.08Å; S21-E118 WeakPolarHBondContact CB-OE1 3.42Å; S21-E118 PolarHBondContact OG-OE1 2.99Å
22R91.5Very high93.4Very high81 Ų8143.4 Ų43.431%0.30624%0.244SC..THydrogen-bonded Turntrans57.547-178.9-53173.2-176.5-108.5-2.9111.7P89 N93 S267 D270R22-P89 WeakPolarHBondContact O-CG 3.5Å; R22-N93 CarbonylContact C-O 3.54Å; R22-N93 WeakPolarHBondContact CA-O 2.99Å; R22-N93 PolarHBondContact N-O 3.14Å; R22-S267 PolarHBondContact NH2-O 3.3Å; R22-D270 IonicContact CZ-OD1 2.74Å; R22-D270 VanDerWaalsContact CZ-OD1 3.28Å; R22-D270 IonicContact CZ-OD2 3.2Å; R22-D270 VanDerWaalsContact NH1-CG 3.27Å; R22-D270 IonicContact NH1-OD1 3.5Å; R22-D270 PolarHBondContact NH1-OD1 3.21Å; R22-D270 IonicContact NH1-OD2 2.73Å; R22-D270 PolarHBondContact NH1-OD2 3.39Å; R22-D270 IonicContact NH2-OD1 3.8Å; R22-D270 PolarHBondContact NH2-OD1 3.2Å; R22-D270 IonicContact NH2-OD2 2.81Å
23A94.6Very high93.5Very high6 Ų638.3 Ų38.35%0.0522%0.218CC..  trans-140.3149.3178.500000111I20 S21 L85 N93 F94 Y95I20-A23 HydrophobicContact CB-CB 3.9Å; I20-A23 HydrophobicContact CG2-CB 3.55Å; S21-A23 VanDerWaalsContact C-N 3.35Å; S21-A23 PolarHBondContact O-N 3.08Å; A23-L85 HydrophobicContact CB-CD1 4.34Å; A23-L85 HydrophobicContact CB-CD2 4.48Å; A23-N93 PolarHBondContact N-O 3.24Å; A23-N93 CarbonylContact O-C 3.55Å; A23-N93 VanDerWaalsContact O-C 3.31Å; A23-N93 VanDerWaalsContact O-CB 3.27Å; A23-N93 WeakPolarHBondContact O-CB 3.43Å; A23-F94 CarbonylContact O-C 3.59Å; A23-F94 PolarHBondContact O-N 3.11Å; A23-Y95 PolarHBondContact O-N 2.87Å
24R95.2Very high93.2Very high74 Ų7439.9 Ų39.928%0.27923%0.232SC..  trans-143.8125.1176.2-167.4-173.8178.289.91.3109.1N63 H71 L85 A86 P89 N93R24-N63 WeakPolarHBondContact CA-OD1 3.01Å; R24-N63 HydrophobicContact CG-CB 4.24Å; R24-N63 WeakPolarHBondContact CG-ND2 3.47Å; R24-H71 PolarHBondContact NH2-CD2 3.01Å; R24-H71 VanDerWaalsContact NH2-CD2 3.27Å; R24-H71 PolarHBondContact NH2-CE1 2.04Å; R24-H71 PolarHBondContact NH2-NE2 3.45Å; R24-L85 CarbonylContact O-C 3.48Å; R24-L85 WeakPolarHBondContact O-CA 3.25Å; R24-A86 HydrophobicContact CB-CB 4.49Å; R24-A86 PolarHBondContact O-N 3.25Å; R24-P89 HydrophobicContact CB-CB 4.09Å; R24-N93 HydrophobicContact CB-CB 3.92Å; R24-N93 VanDerWaalsContact CD-OD1 3.28Å; R24-N93 WeakPolarHBondContact CD-OD1 3.15Å; R24-N93 HydrophobicContact CG-CB 4.44Å; R24-N93 PolarHBondContact NH1-OD1 3.13Å
25L96.4Very high91.8Very high6 Ų640.7 Ų40.73%0.03124%0.24CC..BIsolated β-bridgetrans-65.8135.4170.1-172.165.4000110.7S61 N63 F73 A77 L85 Y95L25-S61 WeakPolarHBondContact CD2-OG 3.47Å; L25-N63 PolarHBondContact N-ND2 2.99Å; L25-N63 PolarHBondContact N-OD1 2.93Å; L25-N63 PolarHBondContact O-ND2 2.68Å; L25-F73 HydrophobicContact CB-CE2 4.33Å; L25-F73 HydrophobicContact CB-CZ 4.47Å; L25-F73 HydrophobicContact CD2-CB 4.08Å; L25-F73 HydrophobicContact CD2-CD1 4Å; L25-F73 HydrophobicContact CD2-CD2 3.87Å; L25-F73 HydrophobicContact CD2-CE1 4.38Å; L25-F73 HydrophobicContact CD2-CE2 4.28Å; L25-F73 HydrophobicContact CD2-CG 3.73Å; L25-A77 HydrophobicContact CD1-CB 4.28Å; L25-L85 HydrophobicContact CB-CD2 4.32Å; L25-L85 HydrophobicContact CD1-CD2 4.33Å; L25-Y95 HydrophobicContact CB-CD2 3.81Å; L25-Y95 HydrophobicContact CB-CE2 3.87Å; L25-Y95 HydrophobicContact CD1-CE2 4.49Å; L25-Y95 HydrophobicContact CD2-CE2 4.11Å; L25-Y95 HydrophobicContact CG-CE2 4.39Å
26T94.3Very high90.9Very high69 Ų6940.7 Ų40.742%0.42325%0.245SC..  trans-92150.3173.363.60000111.2I84 A86T26-I84 WeakPolarHBondContact CB-O 3.44Å; T26-I84 PolarHBondContact N-O 2.87Å; T26-I84 PolarHBondContact OG1-O 3.36Å; T26-A86 HydrophobicContact CG2-CB 3.74Å
27G90Very high90.4Very high62 Ų6242.8 Ų42.864%0.63926%0.256SS*.SBendtrans133.4-179.4-175.300000111.7
28V92.7Very high90Very high134 Ų13442.9 Ų42.981%0.81226%0.257SS*.  trans-89.9123.1170.1-178.70000107.6
29P92.9Very high89.5Confident30 Ų3044.2 Ų44.220%0.19526%0.264CS..  trans-73.8148.217431.1-34.1000110.9V31 I32 H71 F72 F73P29-V31 VanDerWaalsContact C-N 3.29Å; P29-V31 PolarHBondContact O-N 3.24Å; P29-I32 HydrophobicContact CB-CG1 4.43Å; P29-I32 HydrophobicContact CG-CD1 3.9Å; P29-I32 HydrophobicContact CG-CG1 3.59Å; P29-H71 HydrophobicContact CB-CB 3.84Å; P29-H71 HydrophobicContact CG-CB 4.15Å; P29-F72 CarbonylContact C-O 3.54Å; P29-F72 WeakPolarHBondContact CA-O 3.34Å; P29-F72 WeakPolarHBondContact CB-O 3.19Å; P29-F73 HydrophobicContact CB-CD1 4.25Å; P29-F73 HydrophobicContact CB-CE1 3.8Å; P29-F73 HydrophobicContact CB-CE2 4.33Å; P29-F73 HydrophobicContact CB-CZ 3.84Å
30L90Very high89.2Confident67 Ų6746.1 Ų46.135%0.35128%0.277SS..SBendtrans-64.1-37.6173.9-62.1178.7000111.9R57 F72 D74L30-R57 HydrophobicContact CD1-CG 4.06Å; L30-F72 PolarHBondContact N-O 2.67Å; L30-D74 HydrophobicContact CD1-CB 3.89Å
31V90.9Very high89Confident9 Ų945.5 Ų45.56%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-142.4139.3-178.1-176.70000108.5P29 E50 H71 F72P29-V31 VanDerWaalsContact C-N 3.29Å; P29-V31 PolarHBondContact O-N 3.24Å; V31-E50 HydrophobicContact CG1-CG 4.3Å; V31-E50 HydrophobicContact CG2-CB 4.49Å; V31-E50 HydrophobicContact CG2-CG 3.96Å; V31-E50 VanDerWaalsContact CG2-OE1 3.32Å; V31-E50 WeakPolarHBondContact CG2-OE1 3.31Å; V31-H71 WeakPolarHBondContact O-CA 3.24Å; V31-F72 HydrophobicContact CB-CB 4.41Å; V31-F72 HydrophobicContact CB-CD2 4.08Å; V31-F72 HydrophobicContact CG1-CD2 4.32Å; V31-F72 PolarHBondContact O-N 3Å
32I92.6Very high89Confident101 Ų10144.6 Ų44.652%0.51827%0.268SS..EExtended strand (participates in β ladder)trans-113.7129.5161.5-51-177.2000106.5P29 T69 C70 H71P29-I32 HydrophobicContact CB-CG1 4.43Å; P29-I32 HydrophobicContact CG-CD1 3.9Å; P29-I32 HydrophobicContact CG-CG1 3.59Å; I32-T69 HydrophobicContact CG2-CG2 3.77Å; I32-C70 WeakPolarHBondContact CA-O 3.31Å; I32-H71 WeakPolarHBondContact CG1-ND1 3Å
33S88.3Confident88.9Confident13 Ų1345.4 Ų45.49%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-141.8137.3177.6-174.10000110.6A35 C70S33-A35 PolarHBondContact O-N 3.29Å; S33-C70 PolarHBondContact N-O 2.58Å; S33-C70 PolarHBondContact O-N 3.17Å
34T86.5Confident88.9Confident109 Ų10947.4 Ų47.467%0.66928%0.282SS*.EExtended strand (participates in β ladder)trans-76.869.1162.652.20000108G36 E68T34-G36 VanDerWaalsContact C-N 3.28Å; T34-G36 PolarHBondContact O-N 3.32Å; T34-E68 CarbonylContact C-O 3.35Å; T34-E68 VanDerWaalsContact CA-O 3.27Å; T34-E68 WeakPolarHBondContact CA-O 3.16Å
35A64.6Low88.8Confident18 Ų1843.9 Ų43.915%0.14927%0.269CS..  trans-84.5-1.4-166.200000113.7S33 S40 F44 P51 E68S33-A35 PolarHBondContact O-N 3.29Å; A35-S40 VanDerWaalsContact O-CB 3.3Å; A35-S40 WeakPolarHBondContact O-CB 3.34Å; A35-F44 HydrophobicContact CB-CD2 4.12Å; A35-F44 HydrophobicContact CB-CE2 4.08Å; A35-P51 HydrophobicContact CB-CB 4.36Å; A35-P51 HydrophobicContact CB-CG 4.35Å; A35-E68 PolarHBondContact N-O 3.09Å
36G75.1Confident88.6Confident28 Ų2845.9 Ų45.929%0.28928%0.278SS..  trans97.7-142.8-173.500000111.6T34 E68T34-G36 VanDerWaalsContact C-N 3.28Å; T34-G36 PolarHBondContact O-N 3.32Å; G36-E68 WeakPolarHBondContact O-CA 3.42Å
37D84Confident88.4Confident48 Ų4847.3 Ų47.326%0.25728%0.28SS..SBendtrans-71.5166.6-176.658.913.6000113.8I39 S40 C41 D222D37-I39 PolarHBondContact O-N 2.85Å; D37-S40 WeakPolarHBondContact O-CB 3.25Å; D37-S40 PolarHBondContact O-N 2.92Å; D37-S40 WeakPolarHBondContact OD1-CB 3.02Å; D37-S40 PolarHBondContact OD1-N 2.72Å; D37-S40 PolarHBondContact OD1-OG 2.82Å; D37-C41 PolarHBondContact O-N 3.01Å; D37-C41 PolarHBondContact O-SG 2.83Å; D37-C41 VanDerWaalsContact O-SG 3.37Å; D37-D222 WeakPolarHBondContact CA-OD2 3.11Å; D37-D222 WeakPolarHBondContact CB-OD1 3.46Å; D37-D222 WeakPolarHBondContact CB-OD2 3.26Å
38D88.2Confident88.5Confident7 Ų744.8 Ų44.84%0.03725%0.251CS..Hα-helixtrans-61.3-25.9178.483.4-25.8000112.9A42 Y64 Y96 S114 D222D38-A42 VanDerWaalsContact O-CB 3.22Å; D38-A42 WeakPolarHBondContact O-CB 3.38Å; D38-A42 PolarHBondContact O-N 2.76Å; D38-Y64 HydrophobicContact CB-CD1 3.69Å; D38-Y64 HydrophobicContact CB-CE1 3.76Å; D38-Y64 HydrophobicContact CB-CG 4.32Å; D38-Y96 PolarHBondContact OD2-OH 2.77Å; D38-S114 VanDerWaalsContact CG-OG 3.23Å; D38-S114 VanDerWaalsContact OD1-CB 3.25Å; D38-S114 WeakPolarHBondContact OD1-CB 3.27Å; D38-S114 PolarHBondContact OD1-OG 2.65Å; D38-S114 WeakPolarHBondContact OD2-CB 3.24Å; D38-S114 PolarHBondContact OD2-OG 2.95Å; D38-D222 PolarHBondContact N-OD2 2.97Å
39I88.2Confident88.3Confident28 Ų2841.4 Ų41.414%0.14423%0.228CC..Hα-helixtrans-65.5-46.5171.2-62.3157.1000110.5D37 A42 H43 T224 N243D37-I39 PolarHBondContact O-N 2.85Å; I39-A42 PolarHBondContact O-N 3.03Å; I39-H43 WeakPolarHBondContact O-CB 3.38Å; I39-H43 PolarHBondContact O-N 3.36Å; I39-T224 HydrophobicContact CD1-CG2 4Å; I39-N243 HydrophobicContact CD1-CB 3.83Å
40S88.7Confident88.1Confident40 Ų4041.3 Ų41.328%0.2823%0.225SC..Hα-helixtrans-64.2-42.2176.5-62.20000111.1A35 D37 H43 F44A35-S40 VanDerWaalsContact O-CB 3.3Å; A35-S40 WeakPolarHBondContact O-CB 3.34Å; D37-S40 WeakPolarHBondContact O-CB 3.25Å; D37-S40 PolarHBondContact O-N 2.92Å; D37-S40 WeakPolarHBondContact OD1-CB 3.02Å; D37-S40 PolarHBondContact OD1-N 2.72Å; D37-S40 PolarHBondContact OD1-OG 2.82Å; S40-H43 WeakPolarHBondContact O-CB 3.41Å; S40-H43 PolarHBondContact O-N 2.91Å; S40-F44 WeakPolarHBondContact O-CD2 3.24Å; S40-F44 PolarHBondContact O-N 2.91Å
41C91.6Very high87.9Confident0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-65.8-42.3175.8-58.30000112.8D37 H43 F44 C45 F62 C70 F72D37-C41 PolarHBondContact O-N 3.01Å; D37-C41 PolarHBondContact O-SG 2.83Å; D37-C41 VanDerWaalsContact O-SG 3.37Å; C41-H43 VanDerWaalsContact C-N 3.31Å; C41-H43 PolarHBondContact O-N 2.03Å; C41-F44 PolarHBondContact O-N 2.82Å; C41-C45 WeakPolarHBondContact O-CB 3Å; C41-C45 PolarHBondContact O-N 2.89Å; C41-F62 HydrophobicContact CB-CD2 3.85Å; C41-F62 HydrophobicContact CB-CE2 3.5Å; C41-F62 HydrophobicContact CB-CZ 3.93Å; C41-C70 HydrophobicContact CB-CB 3.74Å; C41-C70 WeakPolarHBondContact CB-SG 3.33Å; C41-C70 WeakPolarHBondContact SG-CB 3.34Å; C41-C70 CovalentContact SG-SG 2.01Å; C41-C70 PolarHBondContact SG-SG 3.03Å; C41-F72 HydrophobicContact CB-CE1 4.37Å; C41-F72 HydrophobicContact CB-CZ 4.17Å
42A92Very high87.6Confident6 Ų643.5 Ų43.55%0.0524%0.242CC..Hα-helixtrans-57.5-45170.100000110.8F17 D38 I39 F44 C45 K46 F62F17-A42 HydrophobicContact CD2-CB 3.77Å; F17-A42 HydrophobicContact CE2-CB 3.6Å; F17-A42 WeakPolarHBondContact CE2-O 3.39Å; F17-A42 HydrophobicContact CZ-CB 4.39Å; F17-A42 WeakPolarHBondContact CZ-O 3.47Å; D38-A42 VanDerWaalsContact O-CB 3.22Å; D38-A42 WeakPolarHBondContact O-CB 3.38Å; D38-A42 PolarHBondContact O-N 2.76Å; I39-A42 PolarHBondContact O-N 3.03Å; A42-F44 PolarHBondContact O-N 3.39Å; A42-C45 PolarHBondContact O-N 2.99Å; A42-K46 WeakPolarHBondContact O-CB 3.43Å; A42-K46 PolarHBondContact O-N 3.36Å; A42-F62 HydrophobicContact CB-CE1 4.22Å; A42-F62 HydrophobicContact CB-CZ 4.08Å
43H91.2Very high87.3Confident98 Ų9842.8 Ų42.845%0.45424%0.242SC..Hα-helixtrans-58.7-48177.4175.5-86.2000112.9I39 S40 C41 H47I39-H43 WeakPolarHBondContact O-CB 3.38Å; I39-H43 PolarHBondContact O-N 3.36Å; S40-H43 WeakPolarHBondContact O-CB 3.41Å; S40-H43 PolarHBondContact O-N 2.91Å; C41-H43 VanDerWaalsContact C-N 3.31Å; C41-H43 PolarHBondContact O-N 2.03Å; H43-H47 AromaticContact CD2-CE1 3.43Å; H43-H47 PolarHBondContact CD2-CE1 2.91Å; H43-H47 VanDerWaalsContact CD2-CE1 3.43Å; H43-H47 AromaticContact CD2-ND1 3.59Å; H43-H47 AromaticContact CE1-ND1 3.76Å; H43-H47 AromaticContact CG-ND1 3.91Å; H43-H47 AromaticContact NE2-CE1 3.39Å; H43-H47 PolarHBondContact NE2-CE1 3.27Å; H43-H47 AromaticContact NE2-ND1 3.47Å; H43-H47 PolarHBondContact NE2-ND1 2.69Å; H43-H47 PolarHBondContact O-N 3.17Å; H43-H47 PolarHBondContact O-ND1 2.96Å
44F92.6Very high87.2Confident48 Ų4844.8 Ų44.821%0.21127%0.265CS..Hα-helixtrans-64.8-45.7178.3-70.7-64.5000112.5A35 S40 C41 A42 K46 N48 I49 P51 F72A35-F44 HydrophobicContact CB-CD2 4.12Å; A35-F44 HydrophobicContact CB-CE2 4.08Å; S40-F44 WeakPolarHBondContact O-CD2 3.24Å; S40-F44 PolarHBondContact O-N 2.91Å; C41-F44 PolarHBondContact O-N 2.82Å; A42-F44 PolarHBondContact O-N 3.39Å; F44-K46 PolarHBondContact O-N 3.33Å; F44-N48 PolarHBondContact O-N 3.31Å; F44-I49 HydrophobicContact CD1-CB 4.5Å; F44-I49 HydrophobicContact CD1-CG2 4.36Å; F44-I49 PolarHBondContact O-N 2.93Å; F44-I49 VanDerWaalsContact O-N 3.07Å; F44-P51 HydrophobicContact CB-CG 3.93Å; F44-P51 HydrophobicContact CD1-CB 4.06Å; F44-P51 HydrophobicContact CD1-CG 4.05Å; F44-P51 HydrophobicContact CD2-CB 3.91Å; F44-P51 HydrophobicContact CD2-CG 3.72Å; F44-P51 HydrophobicContact CE1-CB 4.03Å; F44-P51 HydrophobicContact CE2-CB 3.89Å; F44-P51 HydrophobicContact CE2-CG 4.24Å; F44-P51 HydrophobicContact CG-CB 4.02Å; F44-P51 HydrophobicContact CG-CG 3.64Å; F44-P51 HydrophobicContact CZ-CB 3.96Å; F44-F72 HydrophobicContact CB-CE1 4.24Å; F44-F72 HydrophobicContact CB-CZ 4.3Å
45C93.9Very high87.2Confident1 Ų141.4 Ų41.41%0.00725%0.248CC..Hα-helixtrans-67.8-35.3178.7-173.20000112.6F17 C41 A42 N48 C59 F62 F72 K98F17-C45 HydrophobicContact CE1-CB 4.06Å; F17-C45 HydrophobicContact CZ-CB 3.79Å; C41-C45 WeakPolarHBondContact O-CB 3Å; C41-C45 PolarHBondContact O-N 2.89Å; A42-C45 PolarHBondContact O-N 2.99Å; C45-N48 PolarHBondContact O-N 2.73Å; C45-C59 HydrophobicContact CB-CB 3.9Å; C45-C59 WeakPolarHBondContact CB-SG 3.21Å; C45-C59 WeakPolarHBondContact SG-CB 3.4Å; C45-C59 CovalentContact SG-SG 2.04Å; C45-C59 PolarHBondContact SG-SG 3.38Å; C45-F62 HydrophobicContact CB-CD1 3.9Å; C45-F62 HydrophobicContact CB-CE1 4.36Å; C45-F72 HydrophobicContact CB-CD1 4.03Å; C45-F72 HydrophobicContact CB-CE1 4.06Å; C45-K98 WeakPolarHBondContact O-CE 3.46Å; C45-K98 PolarHBondContact O-NZ 2.81Å
46K92Very high88.3Confident47 Ų4745 Ų4520%0.20427%0.27CS..Hα-helixtrans-59-49.9177.6-171.4178.5-169-178.70110.8T15 F17 A42 F44 N48 K98 S111T15-K46 HydrophobicContact CG2-CG 3.82Å; T15-K46 VanDerWaalsContact O-CE 3.28Å; T15-K46 WeakPolarHBondContact O-CE 3.38Å; F17-K46 HydrophobicContact CE2-CB 4.15Å; F17-K46 HydrophobicContact CZ-CB 4.29Å; A42-K46 WeakPolarHBondContact O-CB 3.43Å; A42-K46 PolarHBondContact O-N 3.36Å; F44-K46 PolarHBondContact O-N 3.33Å; K46-N48 VanDerWaalsContact C-N 3.33Å; K46-N48 PolarHBondContact O-N 3.11Å; K46-K98 WeakPolarHBondContact O-CE 3.31Å; K46-K98 PolarHBondContact O-NZ 2.9Å; K46-S111 VanDerWaalsContact NZ-CB 3.28Å; K46-S111 PolarHBondContact NZ-O 2.83Å; K46-S111 PolarHBondContact NZ-OG 3.18Å
47H90Very high88.9Confident100 Ų10048.1 Ų48.146%0.46327%0.273SS..Hα-helixtrans-83.4-1.3-177.3-60.7105.3000114.7H43 I49H43-H47 AromaticContact CD2-CE1 3.43Å; H43-H47 PolarHBondContact CD2-CE1 2.91Å; H43-H47 VanDerWaalsContact CD2-CE1 3.43Å; H43-H47 AromaticContact CD2-ND1 3.59Å; H43-H47 AromaticContact CE1-ND1 3.76Å; H43-H47 AromaticContact CG-ND1 3.91Å; H43-H47 AromaticContact NE2-CE1 3.39Å; H43-H47 PolarHBondContact NE2-CE1 3.27Å; H43-H47 AromaticContact NE2-ND1 3.47Å; H43-H47 PolarHBondContact NE2-ND1 2.69Å; H43-H47 PolarHBondContact O-N 3.17Å; H43-H47 PolarHBondContact O-ND1 2.96Å; H47-I49 HydrophobicContact CB-CD1 3.77Å; H47-I49 HydrophobicContact CB-CG1 3.97Å
48N92.1Very high89.2Confident9 Ų946.7 Ų46.75%0.04827%0.268CS..THydrogen-bonded Turntrans57.148.9-174.7-63.4-42.7000112.4L4 Y7 F44 C45 K46 P56 R57 C59 K98L4-N48 HydrophobicContact CD2-CB 4.31Å; Y7-N48 PolarHBondContact O-ND2 2.69Å; F44-N48 PolarHBondContact O-N 3.31Å; C45-N48 PolarHBondContact O-N 2.73Å; K46-N48 VanDerWaalsContact C-N 3.33Å; K46-N48 PolarHBondContact O-N 3.11Å; N48-P56 CarbonylContact O-C 3.58Å; N48-P56 WeakPolarHBondContact O-CA 3.45Å; N48-R57 CarbonylContact C-O 3.57Å; N48-R57 WeakPolarHBondContact CA-O 3.36Å; N48-R57 VanDerWaalsContact CB-O 3.31Å; N48-R57 WeakPolarHBondContact CB-O 3.47Å; N48-R57 PolarHBondContact O-N 2.88Å; N48-R57 VanDerWaalsContact O-O 3.12Å; N48-C59 PolarHBondContact OD1-N 2.77Å; N48-C59 PolarHBondContact OD1-O 2.79Å; N48-K98 PolarHBondContact ND2-NZ 3.27Å; N48-K98 PolarHBondContact OD1-NZ 2.97Å
49I89.4Confident89.5Confident63 Ų6346.6 Ų46.632%0.32327%0.268SS..BIsolated β-bridgetrans-118.5131.4-179.2-61.2174.5000110F44 H47 P51F44-I49 HydrophobicContact CD1-CB 4.5Å; F44-I49 HydrophobicContact CD1-CG2 4.36Å; F44-I49 PolarHBondContact O-N 2.93Å; F44-I49 VanDerWaalsContact O-N 3.07Å; H47-I49 HydrophobicContact CB-CD1 3.77Å; H47-I49 HydrophobicContact CB-CG1 3.97Å; I49-P51 WeakPolarHBondContact O-CD 3.13Å
50E88.5Confident89.8Confident28 Ų2845.3 Ų45.313%0.13126%0.261CS..  trans-72.3120.4169170.9168.6-135.300110.7V31 T52 T53 G54 A55 R57V31-E50 HydrophobicContact CG1-CG 4.3Å; V31-E50 HydrophobicContact CG2-CB 4.49Å; V31-E50 HydrophobicContact CG2-CG 3.96Å; V31-E50 VanDerWaalsContact CG2-OE1 3.32Å; V31-E50 WeakPolarHBondContact CG2-OE1 3.31Å; E50-T52 VanDerWaalsContact C-N 3.25Å; E50-T52 VanDerWaalsContact CG-OG1 3.27Å; E50-T52 WeakPolarHBondContact CG-OG1 3.41Å; E50-T52 PolarHBondContact O-N 3.12Å; E50-T52 VanDerWaalsContact O-N 3.17Å; E50-T52 PolarHBondContact OE1-OG1 3.46Å; E50-T53 WeakPolarHBondContact CB-OG1 3.43Å; E50-T53 HydrophobicContact CG-CG2 4.23Å; E50-T53 VanDerWaalsContact CG-OG1 3.25Å; E50-T53 WeakPolarHBondContact CG-OG1 3.47Å; E50-T53 PolarHBondContact O-N 2.81Å; E50-T53 VanDerWaalsContact OE2-CG2 3.32Å; E50-T53 WeakPolarHBondContact OE2-CG2 3.11Å; E50-T53 PolarHBondContact OE2-OG1 2.79Å; E50-G54 WeakPolarHBondContact O-CA 3.13Å; E50-G54 PolarHBondContact O-N 3.31Å; E50-A55 PolarHBondContact N-O 2.96Å; E50-R57 HydrophobicContact CB-CB 4.36Å; E50-R57 IonicContact OE1-CZ 3.15Å; E50-R57 IonicContact OE1-NH1 2.89Å; E50-R57 PolarHBondContact OE1-NH1 3.03Å; E50-R57 IonicContact OE2-CZ 3.37Å; E50-R57 IonicContact OE2-NH1 2.77Å; E50-R57 PolarHBondContact OE2-NH1 2.84Å
51P85.8Confident90.1Very high31 Ų3143.4 Ų43.420%0.20125%0.248CC..THydrogen-bonded Turntrans-61.1-28.8-173.7-21.728.9000115A35 F44 I49 F72A35-P51 HydrophobicContact CB-CB 4.36Å; A35-P51 HydrophobicContact CB-CG 4.35Å; F44-P51 HydrophobicContact CB-CG 3.93Å; F44-P51 HydrophobicContact CD1-CB 4.06Å; F44-P51 HydrophobicContact CD1-CG 4.05Å; F44-P51 HydrophobicContact CD2-CB 3.91Å; F44-P51 HydrophobicContact CD2-CG 3.72Å; F44-P51 HydrophobicContact CE1-CB 4.03Å; F44-P51 HydrophobicContact CE2-CB 3.89Å; F44-P51 HydrophobicContact CE2-CG 4.24Å; F44-P51 HydrophobicContact CG-CB 4.02Å; F44-P51 HydrophobicContact CG-CG 3.64Å; F44-P51 HydrophobicContact CZ-CB 3.96Å; I49-P51 WeakPolarHBondContact O-CD 3.13Å; P51-F72 HydrophobicContact CG-CE2 3.79Å; P51-F72 HydrophobicContact CG-CZ 3.91Å
52T84.1Confident90.3Very high91 Ų9143.4 Ų43.456%0.55825%0.248SC*.THydrogen-bonded Turntrans-87.6-23.7-172.647.60000113.9E50E50-T52 VanDerWaalsContact C-N 3.25Å; E50-T52 VanDerWaalsContact CG-OG1 3.27Å; E50-T52 WeakPolarHBondContact CG-OG1 3.41Å; E50-T52 PolarHBondContact O-N 3.12Å; E50-T52 VanDerWaalsContact O-N 3.17Å; E50-T52 PolarHBondContact OE1-OG1 3.46Å
53T86.7Confident90.5Very high86 Ų8643.2 Ų43.253%0.52825%0.246SC..THydrogen-bonded Turntrans-122.1-19.1-173.263.30000113.2E50 A55E50-T53 WeakPolarHBondContact CB-OG1 3.43Å; E50-T53 HydrophobicContact CG-CG2 4.23Å; E50-T53 VanDerWaalsContact CG-OG1 3.25Å; E50-T53 WeakPolarHBondContact CG-OG1 3.47Å; E50-T53 PolarHBondContact O-N 2.81Å; E50-T53 VanDerWaalsContact OE2-CG2 3.32Å; E50-T53 WeakPolarHBondContact OE2-CG2 3.11Å; E50-T53 PolarHBondContact OE2-OG1 2.79Å; T53-A55 PolarHBondContact O-N 3.48Å; T53-A55 WeakPolarHBondContact OG1-CB 3.39Å; T53-A55 PolarHBondContact OG1-N 3.15Å
54G85.6Confident90.6Very high54 Ų5438.6 Ų38.656%0.55723%0.225SC*.  trans69.94.9-167.100000113.9E50E50-G54 WeakPolarHBondContact O-CA 3.13Å; E50-G54 PolarHBondContact O-N 3.31Å
55A86.8Confident90.4Very high38 Ų3837.6 Ų37.631%0.31422%0.222SC..  trans-73147.2-177.400000111.8E50 T53 R57E50-A55 PolarHBondContact N-O 2.96Å; T53-A55 PolarHBondContact O-N 3.48Å; T53-A55 WeakPolarHBondContact OG1-CB 3.39Å; T53-A55 PolarHBondContact OG1-N 3.15Å; A55-R57 PolarHBondContact O-N 3.04Å
56P87.9Confident90Very high95 Ų9537.7 Ų37.762%0.61722%0.222SC*.BIsolated β-bridgetrans-69.2121.7174.929-34.2000110.4L4 N48L4-P56 HydrophobicContact CD1-CB 3.99Å; L4-P56 HydrophobicContact CD1-CG 4.37Å; L4-P56 HydrophobicContact CD2-CB 4.12Å; N48-P56 CarbonylContact O-C 3.58Å; N48-P56 WeakPolarHBondContact O-CA 3.45Å
57R87.9Confident89.5Confident92 Ų9241.6 Ų41.635%0.34724%0.241SC..  trans-142.5123.8179.1171.7164.2-81.8145.97110L30 N48 E50 A55L30-R57 HydrophobicContact CD1-CG 4.06Å; N48-R57 CarbonylContact C-O 3.57Å; N48-R57 WeakPolarHBondContact CA-O 3.36Å; N48-R57 VanDerWaalsContact CB-O 3.31Å; N48-R57 WeakPolarHBondContact CB-O 3.47Å; N48-R57 PolarHBondContact O-N 2.88Å; N48-R57 VanDerWaalsContact O-O 3.12Å; E50-R57 HydrophobicContact CB-CB 4.36Å; E50-R57 IonicContact OE1-CZ 3.15Å; E50-R57 IonicContact OE1-NH1 2.89Å; E50-R57 PolarHBondContact OE1-NH1 3.03Å; E50-R57 IonicContact OE2-CZ 3.37Å; E50-R57 IonicContact OE2-NH1 2.77Å; E50-R57 PolarHBondContact OE2-NH1 2.84Å; A55-R57 PolarHBondContact O-N 3.04Å
58A90.6Very high89.2Confident18 Ų1842.7 Ų42.715%0.14925%0.247CC..  trans-58137.5177.700000111.4Y7Y7-A58 HydrophobicContact CD2-CB 4.42Å
59C93.6Very high89.2Confident6 Ų643.9 Ų43.94%0.04125%0.254CS..  trans-137.1125.5175.5-174.80000110.1C45 N48 S61 F73 K98C45-C59 HydrophobicContact CB-CB 3.9Å; C45-C59 WeakPolarHBondContact CB-SG 3.21Å; C45-C59 WeakPolarHBondContact SG-CB 3.4Å; C45-C59 CovalentContact SG-SG 2.04Å; C45-C59 PolarHBondContact SG-SG 3.38Å; N48-C59 PolarHBondContact OD1-N 2.77Å; N48-C59 PolarHBondContact OD1-O 2.79Å; C59-S61 PolarHBondContact SG-O 2.85Å; C59-S61 VanDerWaalsContact SG-O 3.39Å; C59-F73 WeakPolarHBondContact CA-O 3.45Å; C59-K98 WeakPolarHBondContact O-CD 3.13Å; C59-K98 PolarHBondContact O-NZ 3.15Å
60A94.7Very high89.3Confident1 Ų140.9 Ų40.91%0.00824%0.239CC..SBendtrans-108.2-24.317500000112.4Y7 F73 D74 K98Y7-A60 HydrophobicContact CD1-CB 3.59Å; Y7-A60 HydrophobicContact CD2-CB 3.99Å; Y7-A60 HydrophobicContact CE1-CB 3.49Å; Y7-A60 VanDerWaalsContact CE1-CB 3.49Å; Y7-A60 HydrophobicContact CE2-CB 3.9Å; Y7-A60 HydrophobicContact CG-CB 3.85Å; A60-F73 PolarHBondContact N-O 3.39Å; A60-D74 WeakPolarHBondContact CB-O 3.35Å; A60-K98 WeakPolarHBondContact O-CB 3.31Å; A60-K98 PolarHBondContact O-N 2.78Å
61S95.9Very high89.6Confident0 Ų040.6 Ų40.60%024%0.237CC..EExtended strand (participates in β ladder)trans-157.8164.7174.371.30000112.6L25 C59 F73 N75 Y95 Y96L25-S61 WeakPolarHBondContact CD2-OG 3.47Å; C59-S61 PolarHBondContact SG-O 2.85Å; C59-S61 VanDerWaalsContact SG-O 3.39Å; S61-F73 PolarHBondContact N-O 2.58Å; S61-F73 PolarHBondContact O-N 2.81Å; S61-N75 PolarHBondContact OG-O 3.06Å; S61-Y95 VanDerWaalsContact CB-CE2 3.47Å; S61-Y95 WeakPolarHBondContact CB-OH 3.43Å; S61-Y96 CarbonylContact C-O 3.58Å; S61-Y96 WeakPolarHBondContact CA-O 3.04Å; S61-Y96 VanDerWaalsContact CB-O 3.23Å; S61-Y96 WeakPolarHBondContact CB-O 3.18Å
62F95.8Very high90.1Very high0 Ų039.6 Ų39.60%023%0.23CC..EExtended strand (participates in β ladder)trans-138.9152.5165.966.9-84.8000112.4F17 C41 A42 C45 H71 F72 Y96F17-F62 HydrophobicContact CD1-CD1 4.37Å; F17-F62 AromaticContact CD1-CE1 3.85Å; F17-F62 HydrophobicContact CD1-CE1 3.85Å; F17-F62 AromaticContact CE1-CD1 4Å; F17-F62 HydrophobicContact CE1-CD1 4Å; F17-F62 AromaticContact CE1-CE1 3.69Å; F17-F62 HydrophobicContact CE1-CE1 3.69Å; F17-F62 HydrophobicContact CE2-CE1 4.49Å; F17-F62 HydrophobicContact CG-CE1 4.33Å; F17-F62 HydrophobicContact CZ-CE1 4.04Å; C41-F62 HydrophobicContact CB-CD2 3.85Å; C41-F62 HydrophobicContact CB-CE2 3.5Å; C41-F62 HydrophobicContact CB-CZ 3.93Å; A42-F62 HydrophobicContact CB-CE1 4.22Å; A42-F62 HydrophobicContact CB-CZ 4.08Å; C45-F62 HydrophobicContact CB-CD1 3.9Å; C45-F62 HydrophobicContact CB-CE1 4.36Å; F62-H71 CarbonylContact C-O 3.48Å; F62-H71 WeakPolarHBondContact CA-O 3.16Å; F62-H71 WeakPolarHBondContact CB-O 3.31Å; F62-F72 HydrophobicContact CB-CD1 3.88Å; F62-F72 HydrophobicContact CB-CE1 4.23Å; F62-F72 HydrophobicContact CB-CG 4.44Å; F62-F72 HydrophobicContact CG-CE1 4.47Å; F62-Y96 HydrophobicContact CD1-CG 4.49Å; F62-Y96 AromaticContact CD2-CD2 3.98Å; F62-Y96 HydrophobicContact CD2-CD2 3.98Å; F62-Y96 HydrophobicContact CD2-CG 4.34Å; F62-Y96 HydrophobicContact CE1-CD1 4.31Å; F62-Y96 HydrophobicContact CE1-CD2 4.4Å; F62-Y96 AromaticContact CE1-CG 3.83Å; F62-Y96 HydrophobicContact CE1-CG 3.83Å; F62-Y96 HydrophobicContact CE2-CD1 4.32Å; F62-Y96 AromaticContact CE2-CD2 3.41Å; F62-Y96 HydrophobicContact CE2-CD2 3.41Å; F62-Y96 VanDerWaalsContact CE2-CD2 3.41Å; F62-Y96 AromaticContact CE2-CE2 3.93Å; F62-Y96 HydrophobicContact CE2-CE2 3.93Å; F62-Y96 AromaticContact CE2-CG 3.66Å; F62-Y96 HydrophobicContact CE2-CG 3.66Å; F62-Y96 VanDerWaalsContact CZ-CB 3.5Å; F62-Y96 AromaticContact CZ-CD1 3.73Å; F62-Y96 HydrophobicContact CZ-CD1 3.73Å; F62-Y96 AromaticContact CZ-CD2 3.66Å; F62-Y96 HydrophobicContact CZ-CD2 3.66Å; F62-Y96 HydrophobicContact CZ-CE1 4.35Å; F62-Y96 HydrophobicContact CZ-CE2 4.29Å; F62-Y96 AromaticContact CZ-CG 3.36Å; F62-Y96 HydrophobicContact CZ-CG 3.36Å; F62-Y96 PolarHBondContact N-O 2.77Å; F62-Y96 PolarHBondContact O-N 3.31Å
63N95.7Very high90.6Very high1 Ų135.7 Ų35.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-96.9139161.3-65.8-41.5000109R24 L25 C70 H71 F73 F94R24-N63 WeakPolarHBondContact CA-OD1 3.01Å; R24-N63 HydrophobicContact CG-CB 4.24Å; R24-N63 WeakPolarHBondContact CG-ND2 3.47Å; L25-N63 PolarHBondContact N-ND2 2.99Å; L25-N63 PolarHBondContact N-OD1 2.93Å; L25-N63 PolarHBondContact O-ND2 2.68Å; N63-C70 WeakPolarHBondContact O-CA 3.23Å; N63-H71 HydrophobicContact CB-CB 4.25Å; N63-H71 PolarHBondContact N-O 2.81Å; N63-H71 PolarHBondContact O-N 3.44Å; N63-F73 HydrophobicContact CB-CE2 4.34Å; N63-F73 VanDerWaalsContact ND2-CE2 3.3Å; N63-F73 WeakPolarHBondContact ND2-CE2 3.44Å; N63-F73 WeakPolarHBondContact ND2-CZ 3.31Å; N63-F94 WeakPolarHBondContact CA-O 3.43Å
64Y93.7Very high90.9Very high2 Ų235.4 Ų35.41%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-114.4143.9166.8177.6-135.4000110.1D38 Q67 T69 C70 N93 F94 D222D38-Y64 HydrophobicContact CB-CD1 3.69Å; D38-Y64 HydrophobicContact CB-CE1 3.76Å; D38-Y64 HydrophobicContact CB-CG 4.32Å; Y64-Q67 PolarHBondContact OH-O 2.76Å; Y64-T69 WeakPolarHBondContact CD2-O 3.36Å; Y64-C70 VanDerWaalsContact CD2-SG 3.54Å; Y64-N93 WeakPolarHBondContact O-CA 3.48Å; Y64-F94 AromaticContact CD1-CD2 3.99Å; Y64-F94 HydrophobicContact CD1-CD2 3.99Å; Y64-F94 PolarHBondContact N-O 3.49Å; Y64-F94 PolarHBondContact O-N 3.34Å; Y64-D222 HydrophobicContact CE1-CB 4.1Å; Y64-D222 WeakPolarHBondContact CE1-OD2 3.41Å; Y64-D222 PolarHBondContact OH-OD2 2.77Å
65D88.7Confident91.2Very high27 Ų2734.9 Ų34.914%0.14419%0.185CC..  trans-93.70.8-176.377.1-19.2000114.9Q67 E68 T69 N92D65-Q67 VanDerWaalsContact C-N 3.34Å; D65-Q67 PolarHBondContact OD1-N 2.84Å; D65-E68 PolarHBondContact OD1-N 3.03Å; D65-E68 VanDerWaalsContact OD1-N 3.15Å; D65-T69 VanDerWaalsContact CG-CB 3.44Å; D65-T69 PolarHBondContact N-O 3.1Å; D65-T69 PolarHBondContact OD1-N 2.79Å; D65-T69 WeakPolarHBondContact OD2-CB 3.44Å; D65-T69 PolarHBondContact OD2-OG1 3.28Å; D65-N92 CarbonylContact C-O 3.57Å; D65-N92 VanDerWaalsContact O-CB 3.28Å; D65-N92 WeakPolarHBondContact O-CB 3.01Å
66G83.9Confident91.6Very high2 Ų233.4 Ų33.42%0.02117%0.173CC..SBendtrans72.125.8-178.300000113.7N92G66-N92 PolarHBondContact N-O 2.87Å
67Q81.9Confident91.9Very high129 Ų12929 Ų2960%0.60314%0.144SC*.SBendtrans-136.4-75.4173.5-72.1171.295.800111.5Y64 D65Y64-Q67 PolarHBondContact OH-O 2.76Å; D65-Q67 VanDerWaalsContact C-N 3.34Å; D65-Q67 PolarHBondContact OD1-N 2.84Å
68E84.4Confident92Very high124 Ų12427.9 Ų27.958%0.57915%0.148SC*.SBendtrans-155.3-4.1-177.2-64.5-174.5176.700112.7T34 A35 G36 D65T34-E68 CarbonylContact C-O 3.35Å; T34-E68 VanDerWaalsContact CA-O 3.27Å; T34-E68 WeakPolarHBondContact CA-O 3.16Å; A35-E68 PolarHBondContact N-O 3.09Å; G36-E68 WeakPolarHBondContact O-CA 3.42Å; D65-E68 PolarHBondContact OD1-N 3.03Å; D65-E68 VanDerWaalsContact OD1-N 3.15Å
69T90.9Very high91.9Very high33 Ų3330.5 Ų30.520%0.20216%0.163CC..EExtended strand (participates in β ladder)trans-104122.4-168.4-37.50000112.3I32 Y64 D65I32-T69 HydrophobicContact CG2-CG2 3.77Å; Y64-T69 WeakPolarHBondContact CD2-O 3.36Å; D65-T69 VanDerWaalsContact CG-CB 3.44Å; D65-T69 PolarHBondContact N-O 3.1Å; D65-T69 PolarHBondContact OD1-N 2.79Å; D65-T69 WeakPolarHBondContact OD2-CB 3.44Å; D65-T69 PolarHBondContact OD2-OG1 3.28Å
70C93Very high91.6Very high0 Ų032.9 Ų32.90%018%0.183CC..EExtended strand (participates in β ladder)trans-116.1134.7176-67.60000112.4I32 S33 C41 N63 Y64 F72I32-C70 WeakPolarHBondContact CA-O 3.31Å; S33-C70 PolarHBondContact N-O 2.58Å; S33-C70 PolarHBondContact O-N 3.17Å; C41-C70 HydrophobicContact CB-CB 3.74Å; C41-C70 WeakPolarHBondContact CB-SG 3.33Å; C41-C70 WeakPolarHBondContact SG-CB 3.34Å; C41-C70 CovalentContact SG-SG 2.01Å; C41-C70 PolarHBondContact SG-SG 3.03Å; N63-C70 WeakPolarHBondContact O-CA 3.23Å; Y64-C70 VanDerWaalsContact CD2-SG 3.54Å; C70-F72 HydrophobicContact CB-CE2 3.7Å; C70-F72 HydrophobicContact CB-CZ 3.71Å
71H95.1Very high91.4Very high22 Ų2233.7 Ų33.710%0.10219%0.192CC..EExtended strand (participates in β ladder)trans-114.9114.7178-51.7-90.3000108.5R24 P29 V31 I32 F62 N63 F73R24-H71 PolarHBondContact NH2-CD2 3.01Å; R24-H71 VanDerWaalsContact NH2-CD2 3.27Å; R24-H71 PolarHBondContact NH2-CE1 2.04Å; R24-H71 PolarHBondContact NH2-NE2 3.45Å; P29-H71 HydrophobicContact CB-CB 3.84Å; P29-H71 HydrophobicContact CG-CB 4.15Å; V31-H71 WeakPolarHBondContact O-CA 3.24Å; I32-H71 WeakPolarHBondContact CG1-ND1 3Å; F62-H71 CarbonylContact C-O 3.48Å; F62-H71 WeakPolarHBondContact CA-O 3.16Å; F62-H71 WeakPolarHBondContact CB-O 3.31Å; N63-H71 HydrophobicContact CB-CB 4.25Å; N63-H71 PolarHBondContact N-O 2.81Å; N63-H71 PolarHBondContact O-N 3.44Å; H71-F73 HydrophobicContact CB-CE2 4.01Å; H71-F73 HydrophobicContact CB-CZ 4.24Å; H71-F73 WeakPolarHBondContact O-CD2 3.06Å; H71-F73 WeakPolarHBondContact O-CE2 3.4Å
72F95Very high91.3Very high10 Ų1038.2 Ų38.24%0.04422%0.224CC..EExtended strand (participates in β ladder)trans-99.3143.9-172.3-59.3-90.8000111.9P29 L30 V31 C41 F44 C45 P51 F62 C70P29-F72 CarbonylContact C-O 3.54Å; P29-F72 WeakPolarHBondContact CA-O 3.34Å; P29-F72 WeakPolarHBondContact CB-O 3.19Å; L30-F72 PolarHBondContact N-O 2.67Å; V31-F72 HydrophobicContact CB-CB 4.41Å; V31-F72 HydrophobicContact CB-CD2 4.08Å; V31-F72 HydrophobicContact CG1-CD2 4.32Å; V31-F72 PolarHBondContact O-N 3Å; C41-F72 HydrophobicContact CB-CE1 4.37Å; C41-F72 HydrophobicContact CB-CZ 4.17Å; F44-F72 HydrophobicContact CB-CE1 4.24Å; F44-F72 HydrophobicContact CB-CZ 4.3Å; C45-F72 HydrophobicContact CB-CD1 4.03Å; C45-F72 HydrophobicContact CB-CE1 4.06Å; P51-F72 HydrophobicContact CG-CE2 3.79Å; P51-F72 HydrophobicContact CG-CZ 3.91Å; F62-F72 HydrophobicContact CB-CD1 3.88Å; F62-F72 HydrophobicContact CB-CE1 4.23Å; F62-F72 HydrophobicContact CB-CG 4.44Å; F62-F72 HydrophobicContact CG-CE1 4.47Å; C70-F72 HydrophobicContact CB-CE2 3.7Å; C70-F72 HydrophobicContact CB-CZ 3.71Å
73F95.2Very high91.1Very high9 Ų938.7 Ų38.74%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-135.5147.2-176.7-55.4-95.4000112.1L25 P29 C59 A60 S61 N63 H71 N75L25-F73 HydrophobicContact CB-CE2 4.33Å; L25-F73 HydrophobicContact CB-CZ 4.47Å; L25-F73 HydrophobicContact CD2-CB 4.08Å; L25-F73 HydrophobicContact CD2-CD1 4Å; L25-F73 HydrophobicContact CD2-CD2 3.87Å; L25-F73 HydrophobicContact CD2-CE1 4.38Å; L25-F73 HydrophobicContact CD2-CE2 4.28Å; L25-F73 HydrophobicContact CD2-CG 3.73Å; P29-F73 HydrophobicContact CB-CD1 4.25Å; P29-F73 HydrophobicContact CB-CE1 3.8Å; P29-F73 HydrophobicContact CB-CE2 4.33Å; P29-F73 HydrophobicContact CB-CZ 3.84Å; C59-F73 WeakPolarHBondContact CA-O 3.45Å; A60-F73 PolarHBondContact N-O 3.39Å; S61-F73 PolarHBondContact N-O 2.58Å; S61-F73 PolarHBondContact O-N 2.81Å; N63-F73 HydrophobicContact CB-CE2 4.34Å; N63-F73 VanDerWaalsContact ND2-CE2 3.3Å; N63-F73 WeakPolarHBondContact ND2-CE2 3.44Å; N63-F73 WeakPolarHBondContact ND2-CZ 3.31Å; H71-F73 HydrophobicContact CB-CE2 4.01Å; H71-F73 HydrophobicContact CB-CZ 4.24Å; H71-F73 WeakPolarHBondContact O-CD2 3.06Å; H71-F73 WeakPolarHBondContact O-CE2 3.4Å; F73-N75 VanDerWaalsContact C-N 3.33Å
74D92.7Very high91.1Very high80 Ų8044.1 Ų44.143%0.42826%0.256SS..SBendtrans-75-18.2167.143.912.7000113.5Y7 L30 A60Y7-D74 WeakPolarHBondContact CE2-O 3.3Å; Y7-D74 VanDerWaalsContact CZ-O 3.23Å; Y7-D74 PolarHBondContact OH-O 2.88Å; L30-D74 HydrophobicContact CD1-CB 3.89Å; A60-D74 WeakPolarHBondContact CB-O 3.35Å
75N92.8Very high91.2Very high43 Ų4345.2 Ų45.223%0.2326%0.262CS..SBendtrans-109.3158-177.4-163.1-0.5000112S61 F73 S82S61-N75 PolarHBondContact OG-O 3.06Å; F73-N75 VanDerWaalsContact C-N 3.33Å; N75-S82 PolarHBondContact ND2-OG 2.99Å; N75-S82 PolarHBondContact OD1-N 2.94Å
76A94.2Very high91.5Very high8 Ų845.1 Ų45.17%0.06627%0.265CS..  trans-112.1161.4175.400000111.6A80 G81 G83 E97A76-A80 HydrophobicContact CB-CB 4.19Å; A76-G81 CarbonylContact O-C 3.37Å; A76-G81 WeakPolarHBondContact O-CA 3.28Å; A76-G83 WeakPolarHBondContact O-CA 3.26Å; A76-G83 PolarHBondContact O-N 3.3Å; A76-E97 HydrophobicContact CB-CG 4.35Å
77A94.5Very high91.8Very high1 Ų150.8 Ų50.81%0.00830%0.301CS..BIsolated β-bridgetrans-71.1150.1173.500000112.8L25 A80 G81 G83 L85 Y95L25-A77 HydrophobicContact CD1-CB 4.28Å; A77-A80 PolarHBondContact O-N 3.06Å; A77-G81 CarbonylContact C-O 3.39Å; A77-G81 PolarHBondContact O-N 2.82Å; A77-G81 VanDerWaalsContact O-N 3.15Å; A77-G83 WeakPolarHBondContact CA-O 3.48Å; A77-L85 HydrophobicContact CB-CD1 4.29Å; A77-L85 HydrophobicContact CB-CD2 3.88Å; A77-L85 HydrophobicContact CB-CG 3.9Å; A77-Y95 HydrophobicContact CB-CE1 3.71Å; A77-Y95 HydrophobicContact CB-CE2 4.32Å; A77-Y95 PolarHBondContact N-OH 3.04Å
78T90.7Very high92.1Very high69 Ų6952 Ų5242%0.42331%0.312SS..THydrogen-bonded Turntrans-58.9134.5176.1-55.30000112.4G81 G83T78-G81 WeakPolarHBondContact CA-O 3.37Å; T78-G81 PolarHBondContact N-O 2.77Å; T78-G81 PolarHBondContact OG1-O 2.88Å; T78-G83 PolarHBondContact N-O 2.78Å; T78-G83 VanDerWaalsContact N-O 3.11Å; T78-G83 PolarHBondContact OG1-O 2.96Å
79P87.3Confident92.4Very high73 Ų7347.8 Ų47.847%0.47430%0.295SS..THydrogen-bonded Turncis-91.1-711.935.9-34.9000116.3G81 R119 Y160P79-G81 VanDerWaalsContact C-N 3.3Å; P79-G81 PolarHBondContact O-N 2.91Å; P79-R119 VanDerWaalsContact CD-NH2 3.26Å; P79-Y160 HydrophobicContact CG-CD1 3.95Å; P79-Y160 HydrophobicContact CG-CE1 3.47Å; P79-Y160 VanDerWaalsContact CG-CE1 3.47Å; P79-Y160 HydrophobicContact CG-CE2 4.45Å
80A87.5Confident92.2Very high56 Ų5649.7 Ų49.746%0.46331%0.31SS..THydrogen-bonded Turntrans-71.1-24.6-177.200000113.4A76 A77 E97A76-A80 HydrophobicContact CB-CB 4.19Å; A77-A80 PolarHBondContact O-N 3.06Å; A80-E97 WeakPolarHBondContact CB-OE1 3.42Å
81G90.5Very high91.9Very high18 Ų1850.7 Ų50.719%0.18632%0.318CS..SBendtrans-146.8-177.1171.100000113.1A76 A77 T78 P79 G83A76-G81 CarbonylContact O-C 3.37Å; A76-G81 WeakPolarHBondContact O-CA 3.28Å; A77-G81 CarbonylContact C-O 3.39Å; A77-G81 PolarHBondContact O-N 2.82Å; A77-G81 VanDerWaalsContact O-N 3.15Å; T78-G81 WeakPolarHBondContact CA-O 3.37Å; T78-G81 PolarHBondContact N-O 2.77Å; T78-G81 PolarHBondContact OG1-O 2.88Å; P79-G81 VanDerWaalsContact C-N 3.3Å; P79-G81 PolarHBondContact O-N 2.91Å; G81-G83 PolarHBondContact O-N 2.83Å
82S93Very high91.5Very high96 Ų9650.2 Ų50.267%0.67132%0.317SS*.SBendtrans-83.71.4-179.756.40000113.7N75N75-S82 PolarHBondContact ND2-OG 2.99Å; N75-S82 PolarHBondContact OD1-N 2.94Å
83G92.9Very high91.3Very high9 Ų950.4 Ų50.49%0.09332%0.318CS..BIsolated β-bridgetrans-70.4136.4-177.500000114A76 A77 T78 G81A76-G83 WeakPolarHBondContact O-CA 3.26Å; A76-G83 PolarHBondContact O-N 3.3Å; A77-G83 WeakPolarHBondContact CA-O 3.48Å; T78-G83 PolarHBondContact N-O 2.78Å; T78-G83 VanDerWaalsContact N-O 3.11Å; T78-G83 PolarHBondContact OG1-O 2.96Å; G81-G83 PolarHBondContact O-N 2.83Å
84I95Very high91.2Very high116 Ų11650.1 Ų50.160%0.59532%0.317SS*.PPolyproline II helixtrans-101.6124.6-178.9-62.6169.7000109.5T26T26-I84 WeakPolarHBondContact CB-O 3.44Å; T26-I84 PolarHBondContact N-O 2.87Å; T26-I84 PolarHBondContact OG1-O 3.36Å
85L95.2Very high91.4Very high25 Ų2546.3 Ų46.313%0.13130%0.296CS..BIsolated β-bridgetrans-74.1140.6170.3-62.6175.3000110.4I20 A23 R24 L25 A77 Y95I20-L85 HydrophobicContact CD1-CD1 4Å; A23-L85 HydrophobicContact CB-CD1 4.34Å; A23-L85 HydrophobicContact CB-CD2 4.48Å; R24-L85 CarbonylContact O-C 3.48Å; R24-L85 WeakPolarHBondContact O-CA 3.25Å; L25-L85 HydrophobicContact CB-CD2 4.32Å; L25-L85 HydrophobicContact CD1-CD2 4.33Å; A77-L85 HydrophobicContact CB-CD1 4.29Å; A77-L85 HydrophobicContact CB-CD2 3.88Å; A77-L85 HydrophobicContact CB-CG 3.9Å; L85-Y95 HydrophobicContact CD2-CD1 4.07Å; L85-Y95 HydrophobicContact CD2-CD2 4.03Å; L85-Y95 HydrophobicContact CD2-CE1 4.48Å; L85-Y95 HydrophobicContact CD2-CE2 4.44Å; L85-Y95 HydrophobicContact CD2-CG 3.83Å
86A95.1Very high91.6Very high25 Ų2544.3 Ų44.321%0.20729%0.286CS..PPolyproline II helixtrans-60.3141.5177.900000111R24 T26R24-A86 HydrophobicContact CB-CB 4.49Å; R24-A86 PolarHBondContact O-N 3.25Å; T26-A86 HydrophobicContact CG2-CB 3.74Å
87P90.6Very high91.7Very high120 Ų12044 Ų4478%0.77928%0.283SS*.SBendtrans-72.6-34.2-177.127.6-34.4000113
88N89.3Confident91.8Very high154 Ų15445 Ų4582%0.82429%0.287SS*.SBendtrans-128.971.1-179.7-66.9-46.3000110.4
89P89.9Confident92Very high37 Ų3742 Ų4224%0.2427%0.269CS..  trans-71.5149.817432.1-33.4000110.3R22 R24 N93R22-P89 WeakPolarHBondContact O-CG 3.5Å; R24-P89 HydrophobicContact CB-CB 4.09Å; P89-N93 HydrophobicContact CB-CB 4.4Å
90S87.3Confident92.4Very high72 Ų7240.1 Ų40.150%0.50326%0.257SS..  trans-64.3145.1168.1169.80000110N92 N93S90-N92 PolarHBondContact O-N 3.21Å; S90-N93 WeakPolarHBondContact CB-ND2 3.31Å; S90-N93 PolarHBondContact N-ND2 3.33Å; S90-N93 PolarHBondContact O-N 3.4Å; S90-N93 PolarHBondContact O-ND2 2.86Å
91A85.4Confident92.8Very high22 Ų2237.5 Ų37.518%0.18224%0.235CC..THydrogen-bonded Turntrans-55.1-22.1-17600000114.9R268 Q271A91-R268 PolarHBondContact O-NH1 2.8Å; A91-Q271 HydrophobicContact CB-CG 4.49Å
92N86.5Confident93.1Very high12 Ų1238.5 Ų38.56%0.06424%0.238CC..THydrogen-bonded Turntrans-79.9-13.7175.9-6428.7000114.4D65 G66 S90 F94 K220 Q271D65-N92 CarbonylContact C-O 3.57Å; D65-N92 VanDerWaalsContact O-CB 3.28Å; D65-N92 WeakPolarHBondContact O-CB 3.01Å; G66-N92 PolarHBondContact N-O 2.87Å; S90-N92 PolarHBondContact O-N 3.21Å; N92-F94 WeakPolarHBondContact O-CD2 3.3Å; N92-F94 VanDerWaalsContact O-CE2 3.25Å; N92-F94 WeakPolarHBondContact O-CE2 3.15Å; N92-K220 WeakPolarHBondContact ND2-CB 3.47Å; N92-K220 VanDerWaalsContact ND2-CD 3.29Å; N92-K220 WeakPolarHBondContact ND2-CD 3.16Å; N92-Q271 PolarHBondContact OD1-NE2 3.21Å
93N91.3Very high93.1Very high14 Ų1436.8 Ų36.88%0.07524%0.236CC..  trans-76.8133.2-177.9-64.8-93.5000110.4R22 A23 R24 Y64 P89 S90R22-N93 CarbonylContact C-O 3.54Å; R22-N93 WeakPolarHBondContact CA-O 2.99Å; R22-N93 PolarHBondContact N-O 3.14Å; A23-N93 PolarHBondContact N-O 3.24Å; A23-N93 CarbonylContact O-C 3.55Å; A23-N93 VanDerWaalsContact O-C 3.31Å; A23-N93 VanDerWaalsContact O-CB 3.27Å; A23-N93 WeakPolarHBondContact O-CB 3.43Å; R24-N93 HydrophobicContact CB-CB 3.92Å; R24-N93 VanDerWaalsContact CD-OD1 3.28Å; R24-N93 WeakPolarHBondContact CD-OD1 3.15Å; R24-N93 HydrophobicContact CG-CB 4.44Å; R24-N93 PolarHBondContact NH1-OD1 3.13Å; Y64-N93 WeakPolarHBondContact O-CA 3.48Å; P89-N93 HydrophobicContact CB-CB 4.4Å; S90-N93 WeakPolarHBondContact CB-ND2 3.31Å; S90-N93 PolarHBondContact N-ND2 3.33Å; S90-N93 PolarHBondContact O-N 3.4Å; S90-N93 PolarHBondContact O-ND2 2.86Å
94F93.9Very high93Very high2 Ų236.7 Ų36.71%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-120.8136.8171.3-57.4-97.3000108.1R19 A23 N63 Y64 N92 Y96R19-F94 HydrophobicContact CG-CD1 4.41Å; A23-F94 CarbonylContact O-C 3.59Å; A23-F94 PolarHBondContact O-N 3.11Å; N63-F94 WeakPolarHBondContact CA-O 3.43Å; Y64-F94 AromaticContact CD1-CD2 3.99Å; Y64-F94 HydrophobicContact CD1-CD2 3.99Å; Y64-F94 PolarHBondContact N-O 3.49Å; Y64-F94 PolarHBondContact O-N 3.34Å; N92-F94 WeakPolarHBondContact O-CD2 3.3Å; N92-F94 VanDerWaalsContact O-CE2 3.25Å; N92-F94 WeakPolarHBondContact O-CE2 3.15Å; F94-Y96 HydrophobicContact CB-CD2 4.21Å; F94-Y96 HydrophobicContact CB-CE2 3.42Å; F94-Y96 VanDerWaalsContact CB-CE2 3.42Å; F94-Y96 HydrophobicContact CG-CE2 4.4Å
95Y96.6Very high92.7Very high0 Ų034.1 Ų34.10%022%0.221CC..EExtended strand (participates in β ladder)trans-108.9130.1174.2167.9-98.8000109.5R19 I20 A23 L25 S61 A77 L85 E97R19-Y95 CarbonylContact C-O 3.59Å; R19-Y95 WeakPolarHBondContact CA-O 3.49Å; I20-Y95 HydrophobicContact CB-CD1 4.22Å; I20-Y95 HydrophobicContact CD1-CD1 3.85Å; I20-Y95 HydrophobicContact CD1-CE1 4.23Å; I20-Y95 HydrophobicContact CG1-CD1 4.03Å; I20-Y95 PolarHBondContact N-O 2.86Å; I20-Y95 PolarHBondContact O-N 3.45Å; A23-Y95 PolarHBondContact O-N 2.87Å; L25-Y95 HydrophobicContact CB-CD2 3.81Å; L25-Y95 HydrophobicContact CB-CE2 3.87Å; L25-Y95 HydrophobicContact CD1-CE2 4.49Å; L25-Y95 HydrophobicContact CD2-CE2 4.11Å; L25-Y95 HydrophobicContact CG-CE2 4.39Å; S61-Y95 VanDerWaalsContact CB-CE2 3.47Å; S61-Y95 WeakPolarHBondContact CB-OH 3.43Å; A77-Y95 HydrophobicContact CB-CE1 3.71Å; A77-Y95 HydrophobicContact CB-CE2 4.32Å; A77-Y95 PolarHBondContact N-OH 3.04Å; L85-Y95 HydrophobicContact CD2-CD1 4.07Å; L85-Y95 HydrophobicContact CD2-CD2 4.03Å; L85-Y95 HydrophobicContact CD2-CE1 4.48Å; L85-Y95 HydrophobicContact CD2-CE2 4.44Å; L85-Y95 HydrophobicContact CD2-CG 3.83Å; Y95-E97 HydrophobicContact CE1-CB 3.73Å; Y95-E97 HydrophobicContact CE1-CG 4.17Å
96Y96.9Very high92.3Very high1 Ų136.7 Ų36.70%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-118.5115.7-178.8-66.6-106.8000109.6F17 R19 D38 S61 F62 F94 H115F17-Y96 HydrophobicContact CB-CD1 4.19Å; R19-Y96 HydrophobicContact CB-CD1 4.29Å; R19-Y96 HydrophobicContact CB-CE1 4.19Å; R19-Y96 VanDerWaalsContact CD-OH 3.31Å; R19-Y96 WeakPolarHBondContact CD-OH 3.32Å; R19-Y96 HydrophobicContact CG-CD1 4.34Å; R19-Y96 HydrophobicContact CG-CE1 3.97Å; R19-Y96 HydrophobicContact CG-CE2 4.3Å; D38-Y96 PolarHBondContact OD2-OH 2.77Å; S61-Y96 CarbonylContact C-O 3.58Å; S61-Y96 WeakPolarHBondContact CA-O 3.04Å; S61-Y96 VanDerWaalsContact CB-O 3.23Å; S61-Y96 WeakPolarHBondContact CB-O 3.18Å; F62-Y96 HydrophobicContact CD1-CG 4.49Å; F62-Y96 AromaticContact CD2-CD2 3.98Å; F62-Y96 HydrophobicContact CD2-CD2 3.98Å; F62-Y96 HydrophobicContact CD2-CG 4.34Å; F62-Y96 HydrophobicContact CE1-CD1 4.31Å; F62-Y96 HydrophobicContact CE1-CD2 4.4Å; F62-Y96 AromaticContact CE1-CG 3.83Å; F62-Y96 HydrophobicContact CE1-CG 3.83Å; F62-Y96 HydrophobicContact CE2-CD1 4.32Å; F62-Y96 AromaticContact CE2-CD2 3.41Å; F62-Y96 HydrophobicContact CE2-CD2 3.41Å; F62-Y96 VanDerWaalsContact CE2-CD2 3.41Å; F62-Y96 AromaticContact CE2-CE2 3.93Å; F62-Y96 HydrophobicContact CE2-CE2 3.93Å; F62-Y96 AromaticContact CE2-CG 3.66Å; F62-Y96 HydrophobicContact CE2-CG 3.66Å; F62-Y96 VanDerWaalsContact CZ-CB 3.5Å; F62-Y96 AromaticContact CZ-CD1 3.73Å; F62-Y96 HydrophobicContact CZ-CD1 3.73Å; F62-Y96 AromaticContact CZ-CD2 3.66Å; F62-Y96 HydrophobicContact CZ-CD2 3.66Å; F62-Y96 HydrophobicContact CZ-CE1 4.35Å; F62-Y96 HydrophobicContact CZ-CE2 4.29Å; F62-Y96 AromaticContact CZ-CG 3.36Å; F62-Y96 HydrophobicContact CZ-CG 3.36Å; F62-Y96 PolarHBondContact N-O 2.77Å; F62-Y96 PolarHBondContact O-N 3.31Å; F94-Y96 HydrophobicContact CB-CD2 4.21Å; F94-Y96 HydrophobicContact CB-CE2 3.42Å; F94-Y96 VanDerWaalsContact CB-CE2 3.42Å; F94-Y96 HydrophobicContact CG-CE2 4.4Å; Y96-H115 HydrophobicContact CD1-CB 4.1Å; Y96-H115 HydrophobicContact CE1-CB 4.06Å; Y96-H115 AromaticContact CE1-ND1 3.9Å
97E96.8Very high91.7Very high1 Ų142.1 Ų42.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-94119.9179.7-160.3-179.7134.500109.2F17 I18 A76 A80 Y95 V99 R119 R138F17-E97 CarbonylContact C-O 3.31Å; F17-E97 VanDerWaalsContact CA-O 3.22Å; F17-E97 WeakPolarHBondContact CA-O 3.48Å; I18-E97 HydrophobicContact CB-CB 4.35Å; I18-E97 PolarHBondContact N-O 3.31Å; I18-E97 PolarHBondContact O-N 2.7Å; A76-E97 HydrophobicContact CB-CG 4.35Å; A80-E97 WeakPolarHBondContact CB-OE1 3.42Å; Y95-E97 HydrophobicContact CE1-CB 3.73Å; Y95-E97 HydrophobicContact CE1-CG 4.17Å; E97-V99 HydrophobicContact CG-CG2 4.33Å; E97-R119 IonicContact OE2-NH1 2.74Å; E97-R119 PolarHBondContact OE2-NH1 2.78Å; E97-R138 IonicContact OE1-CZ 3.39Å; E97-R138 IonicContact OE1-NH1 2.75Å; E97-R138 PolarHBondContact OE1-NH1 2.85Å; E97-R138 IonicContact OE1-NH2 3.57Å; E97-R138 PolarHBondContact OE1-NH2 2.89Å; E97-R138 IonicContact OE2-NH1 3.2Å
98K96.2Very high91.6Very high22 Ų2239.4 Ų39.410%0.09624%0.237CC..EExtended strand (participates in β ladder)trans-75128177.5-168.9-176.7-178.5174.60109.4Y7 T15 F17 C45 K46 N48 C59 A60Y7-K98 PolarHBondContact O-NZ 3.41Å; T15-K98 HydrophobicContact CG2-CD 4.37Å; T15-K98 VanDerWaalsContact CG2-CE 3.48Å; T15-K98 HydrophobicContact CG2-CG 4.03Å; F17-K98 HydrophobicContact CD1-CB 4.06Å; F17-K98 HydrophobicContact CE1-CB 3.64Å; F17-K98 HydrophobicContact CE1-CG 3.91Å; F17-K98 HydrophobicContact CZ-CB 4.42Å; F17-K98 HydrophobicContact CZ-CG 4.2Å; C45-K98 WeakPolarHBondContact O-CE 3.46Å; C45-K98 PolarHBondContact O-NZ 2.81Å; K46-K98 WeakPolarHBondContact O-CE 3.31Å; K46-K98 PolarHBondContact O-NZ 2.9Å; N48-K98 PolarHBondContact ND2-NZ 3.27Å; N48-K98 PolarHBondContact OD1-NZ 2.97Å; C59-K98 WeakPolarHBondContact O-CD 3.13Å; C59-K98 PolarHBondContact O-NZ 3.15Å; A60-K98 WeakPolarHBondContact O-CB 3.31Å; A60-K98 PolarHBondContact O-N 2.78Å
99V95.1Very high91.7Very high7 Ų732 Ų324%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-137.6148.4-174.1177.30000110.5V16 I18 E97 L101 E139V16-V99 HydrophobicContact CG2-CB 4.08Å; V16-V99 HydrophobicContact CG2-CG1 4.48Å; V16-V99 PolarHBondContact N-O 2.99Å; V16-V99 PolarHBondContact O-N 3.28Å; I18-V99 HydrophobicContact CD1-CB 4.41Å; I18-V99 HydrophobicContact CD1-CG1 4.43Å; I18-V99 HydrophobicContact CD1-CG2 3.77Å; I18-V99 HydrophobicContact CG1-CB 4.39Å; I18-V99 HydrophobicContact CG1-CG2 3.92Å; E97-V99 HydrophobicContact CG-CG2 4.33Å; V99-L101 HydrophobicContact CG1-CD2 4.13Å; V99-E139 HydrophobicContact CG1-CG 3.66Å
100C95.4Very high91.6Very high34 Ų3430.9 Ų30.923%0.2319%0.19CC..EExtended strand (participates in β ladder)trans-107.3119.8174.7-56.10000108.8C9 E13C9-C100 WeakPolarHBondContact CA-SG 3.4Å; C9-C100 HydrophobicContact CB-CB 3.65Å; C9-C100 WeakPolarHBondContact CB-SG 3.13Å; C9-C100 VanDerWaalsContact SG-CA 3.52Å; C9-C100 WeakPolarHBondContact SG-CB 3.36Å; C9-C100 CovalentContact SG-SG 2.03Å; C9-C100 PolarHBondContact SG-SG 3.01Å; E13-C100 HydrophobicContact CB-CB 4.2Å; E13-C100 WeakPolarHBondContact OE2-CB 3.38Å
101L96.4Very high91.6Very high1 Ų128.1 Ų28.11%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-99.4114.1179.1-67.5-175.2000110.7E13 A14 V16 V99 F117 E139 L142 S143 L146E13-L101 CarbonylContact C-O 3.2Å; E13-L101 VanDerWaalsContact CA-O 3.28Å; E13-L101 WeakPolarHBondContact CA-O 3.46Å; A14-L101 PolarHBondContact N-O 2.83Å; A14-L101 PolarHBondContact O-N 2.75Å; V16-L101 HydrophobicContact CG1-CD1 4.06Å; V16-L101 HydrophobicContact CG1-CG 4.46Å; V16-L101 HydrophobicContact CG2-CD1 3.82Å; V16-L101 HydrophobicContact CG2-CD2 4.5Å; V16-L101 HydrophobicContact CG2-CG 3.72Å; V99-L101 HydrophobicContact CG1-CD2 4.13Å; L101-F117 HydrophobicContact CD1-CE2 4.27Å; L101-E139 HydrophobicContact CD2-CB 4.45Å; L101-L142 HydrophobicContact CD2-CB 3.85Å; L101-L142 HydrophobicContact CD2-CD1 4.48Å; L101-S143 WeakPolarHBondContact CB-OG 3.05Å; L101-L146 HydrophobicContact CD1-CD1 3.7Å
102P95.4Very high91.5Very high38 Ų3830.1 Ų30.125%0.24718%0.175CC..EExtended strand (participates in β ladder)trans-72.9144.6-175.229.2-36.2000113.8E13 I104 S143E13-P102 HydrophobicContact CG-CB 4.47Å; P102-I104 VanDerWaalsContact C-N 3.26Å; P102-I104 PolarHBondContact O-N 3.35Å; P102-S143 WeakPolarHBondContact CD-OG 3.35Å; P102-S143 PolarHBondContact O-OG 2.63Å
103G93Very high91.6Very high61 Ų6130.8 Ų30.863%0.62918%0.177SC*.THydrogen-bonded Turntrans768.2172.900000115.1N12N12-G103 PolarHBondContact O-N 2.84Å
104I92.1Very high91.5Very high7 Ų730.4 Ų30.44%0.03618%0.175CC..  trans-120.8139.8-173.1-68.3-171.7000110.9A14 P102 Q108 A109 S143 L146 L147A14-I104 HydrophobicContact CB-CG2 4.27Å; P102-I104 VanDerWaalsContact C-N 3.26Å; P102-I104 PolarHBondContact O-N 3.35Å; I104-Q108 HydrophobicContact CG2-CB 3.66Å; I104-A109 HydrophobicContact CG2-CB 3.79Å; I104-S143 VanDerWaalsContact CD1-CA 3.41Å; I104-S143 WeakPolarHBondContact CD1-O 3.4Å; I104-L146 HydrophobicContact CD1-CB 3.67Å; I104-L146 HydrophobicContact CD1-CD1 3.83Å; I104-L146 HydrophobicContact CD1-CG 4.36Å; I104-L147 HydrophobicContact CD1-CD1 4.2Å; I104-L147 HydrophobicContact CD1-CD2 4.48Å; I104-L147 HydrophobicContact CD1-CG 3.92Å; I104-L147 HydrophobicContact CG1-CD1 3.81Å; I104-L147 HydrophobicContact CG1-CD2 4.13Å; I104-L147 HydrophobicContact CG1-CG 3.88Å
105N89.1Confident91.5Very high61 Ų6130.7 Ų30.733%0.32618%0.177SC..  trans-84.2154.5175.578.750.4000112.6H107 Q108 A109N105-H107 PolarHBondContact O-N 2.7Å; N105-H107 WeakPolarHBondContact OD1-CA 3.49Å; N105-H107 WeakPolarHBondContact OD1-CB 3.33Å; N105-H107 PolarHBondContact OD1-N 2.82Å; N105-Q108 VanDerWaalsContact CG-OE1 3.26Å; N105-Q108 PolarHBondContact ND2-OE1 3.02Å; N105-Q108 VanDerWaalsContact ND2-OE1 3.08Å; N105-Q108 PolarHBondContact O-N 3.32Å; N105-Q108 VanDerWaalsContact O-N 3.16Å; N105-Q108 PolarHBondContact OD1-N 2.76Å; N105-A109 PolarHBondContact O-N 3.11Å; N105-A109 VanDerWaalsContact O-N 3.09Å
106P86Confident91.5Very high79 Ų7930.7 Ų30.751%0.51318%0.177SC..THydrogen-bonded Turntrans-57.3-16.8-176.4-29.937.5000116.6S111P106-S111 WeakPolarHBondContact CB-OG 3.41Å; P106-S111 WeakPolarHBondContact O-CB 3.47Å; P106-S111 PolarHBondContact O-N 2.82Å; P106-S111 PolarHBondContact O-OG 3.04Å
107H82.8Confident91.6Very high139 Ų13930.7 Ų30.764%0.64418%0.177SC*.THydrogen-bonded Turntrans-88.8-45.6176.5-178.8-75.2000112N105 A109 C110N105-H107 PolarHBondContact O-N 2.7Å; N105-H107 WeakPolarHBondContact OD1-CA 3.49Å; N105-H107 WeakPolarHBondContact OD1-CB 3.33Å; N105-H107 PolarHBondContact OD1-N 2.82Å; H107-A109 PolarHBondContact O-N 3.29Å; H107-C110 PolarHBondContact O-N 2.94Å
108Q87.7Confident91.5Very high63 Ų6330.9 Ų30.929%0.29418%0.178SC..THydrogen-bonded Turntrans-56.8-32170.5-76.3166-29.200112.2I104 N105 C110 C194I104-Q108 HydrophobicContact CG2-CB 3.66Å; N105-Q108 VanDerWaalsContact CG-OE1 3.26Å; N105-Q108 PolarHBondContact ND2-OE1 3.02Å; N105-Q108 VanDerWaalsContact ND2-OE1 3.08Å; N105-Q108 PolarHBondContact O-N 3.32Å; N105-Q108 VanDerWaalsContact O-N 3.16Å; N105-Q108 PolarHBondContact OD1-N 2.76Å; Q108-C110 VanDerWaalsContact C-N 3.29Å; Q108-C110 PolarHBondContact O-N 2.87Å; Q108-C194 PolarHBondContact O-SG 3.47Å
109A91Very high91.6Very high0 Ų030 Ų300%017%0.174CC..THydrogen-bonded Turntrans-81.40.2175.100000115A14 V16 I104 N105 H107 S111 T116A14-A109 HydrophobicContact CB-CB 3.47Å; A14-A109 VanDerWaalsContact CB-CB 3.47Å; V16-A109 HydrophobicContact CG1-CB 3.68Å; I104-A109 HydrophobicContact CG2-CB 3.79Å; N105-A109 PolarHBondContact O-N 3.11Å; N105-A109 VanDerWaalsContact O-N 3.09Å; H107-A109 PolarHBondContact O-N 3.29Å; A109-S111 PolarHBondContact O-N 3.01Å; A109-S111 VanDerWaalsContact O-N 3.12Å; A109-T116 WeakPolarHBondContact O-CG2 3.44Å; A109-T116 PolarHBondContact O-OG1 2.84Å
110C88.3Confident91.6Very high12 Ų1231 Ų318%0.08118%0.18CC..THydrogen-bonded Turntrans45.937.1-169.5-59.80000113.8H107 Q108 F112 R113 C194H107-C110 PolarHBondContact O-N 2.94Å; Q108-C110 VanDerWaalsContact C-N 3.29Å; Q108-C110 PolarHBondContact O-N 2.87Å; C110-F112 HydrophobicContact CB-CE2 4.02Å; C110-F112 HydrophobicContact CB-CZ 3.94Å; C110-F112 PolarHBondContact O-N 2.88Å; C110-R113 HydrophobicContact CB-CG 4.21Å; C110-R113 WeakPolarHBondContact O-CB 3.34Å; C110-R113 PolarHBondContact O-N 2.88Å; C110-C194 HydrophobicContact CB-CB 3.64Å; C110-C194 WeakPolarHBondContact CB-SG 3.47Å; C110-C194 PolarHBondContact N-SG 2.93Å; C110-C194 WeakPolarHBondContact SG-CA 3.41Å; C110-C194 WeakPolarHBondContact SG-CB 3.34Å; C110-C194 CovalentContact SG-SG 2.03Å; C110-C194 PolarHBondContact SG-SG 3.44Å
111S87Confident91.5Very high15 Ų1534.2 Ų34.211%0.10519%0.187CC..THydrogen-bonded Turntrans-71.98.5-166.6750000115.4T15 K46 P106 A109T15-S111 WeakPolarHBondContact O-CB 3.26Å; K46-S111 VanDerWaalsContact NZ-CB 3.28Å; K46-S111 PolarHBondContact NZ-O 2.83Å; K46-S111 PolarHBondContact NZ-OG 3.18Å; P106-S111 WeakPolarHBondContact CB-OG 3.41Å; P106-S111 WeakPolarHBondContact O-CB 3.47Å; P106-S111 PolarHBondContact O-N 2.82Å; P106-S111 PolarHBondContact O-OG 3.04Å; A109-S111 PolarHBondContact O-N 3.01Å; A109-S111 VanDerWaalsContact O-N 3.12Å
112F84.1Confident91.4Very high64 Ų6437 Ų3728%0.28121%0.207SC..THydrogen-bonded Turntrans-88.6-12.6166.344.3-101.8000112.9C110 L242C110-F112 HydrophobicContact CB-CE2 4.02Å; C110-F112 HydrophobicContact CB-CZ 3.94Å; C110-F112 PolarHBondContact O-N 2.88Å; F112-L242 HydrophobicContact CD2-CB 4.09Å; F112-L242 WeakPolarHBondContact CD2-O 3.39Å; F112-L242 HydrophobicContact CE2-CB 4.01Å; F112-L242 VanDerWaalsContact CE2-O 3.23Å; F112-L242 WeakPolarHBondContact CE2-O 2.98Å
113R87.8Confident91.4Very high25 Ų2535.3 Ų35.39%0.09420%0.196CC..SBendtrans-78.9154.5166.9-63.1-171.2166.3155.13.9109.7C110 H115 N193 L195 S241 L242 N243C110-R113 HydrophobicContact CB-CG 4.21Å; C110-R113 WeakPolarHBondContact O-CB 3.34Å; C110-R113 PolarHBondContact O-N 2.88Å; R113-H115 WeakPolarHBondContact CB-O 3.35Å; R113-H115 PolarHBondContact O-N 2.67Å; R113-N193 PolarHBondContact NH1-O 2.79Å; R113-L195 PolarHBondContact NH1-O 2.88Å; R113-S241 PolarHBondContact NH2-O 2.82Å; R113-L242 WeakPolarHBondContact CG-O 3.12Å; R113-L242 PolarHBondContact NE-O 2.87Å; R113-N243 WeakPolarHBondContact CA-O 3.47Å
114S90.2Very high91.5Very high6 Ų636 Ų364%0.04218%0.18CC..SBendtrans-61.2-25.3175.4650000113.3F17 D38F17-S114 WeakPolarHBondContact CB-O 3.35Å; F17-S114 WeakPolarHBondContact CD2-O 3.43Å; D38-S114 VanDerWaalsContact CG-OG 3.23Å; D38-S114 VanDerWaalsContact OD1-CB 3.25Å; D38-S114 WeakPolarHBondContact OD1-CB 3.27Å; D38-S114 PolarHBondContact OD1-OG 2.65Å; D38-S114 WeakPolarHBondContact OD2-CB 3.24Å; D38-S114 PolarHBondContact OD2-OG 2.95Å
115H94.6Very high91.7Very high8 Ų835.9 Ų35.94%0.03718%0.179CC..  trans-156.3155.5174.563-68.6000111.7F17 R19 Y96 R113 N193 D262F17-H115 HydrophobicContact CB-CB 4.15Å; F17-H115 WeakPolarHBondContact O-CA 3.39Å; F17-H115 WeakPolarHBondContact O-CB 3.43Å; R19-H115 HydrophobicContact CB-CB 3.92Å; R19-H115 VanDerWaalsContact CB-CD2 3.47Å; R19-H115 WeakPolarHBondContact CB-CD2 3.45Å; R19-H115 PolarHBondContact NE-NE2 2.78Å; Y96-H115 HydrophobicContact CD1-CB 4.1Å; Y96-H115 HydrophobicContact CE1-CB 4.06Å; Y96-H115 AromaticContact CE1-ND1 3.9Å; R113-H115 WeakPolarHBondContact CB-O 3.35Å; R113-H115 PolarHBondContact O-N 2.67Å; H115-N193 PolarHBondContact CD2-ND2 2.89Å; H115-N193 PolarHBondContact NE2-ND2 2.85Å; H115-D262 IonicContact CE1-OD2 3.57Å; H115-D262 PolarHBondContact CE1-OD2 2.04Å; H115-D262 IonicContact NE2-OD2 3.11Å
116T96.1Very high92Very high1 Ų135.8 Ų35.81%0.00618%0.177CC..SBendtrans-101.9-32.6-177.8-57.30000111.8V16 F17 A109 L146 N193 C194V16-T116 WeakPolarHBondContact CB-OG1 3.31Å; V16-T116 HydrophobicContact CG1-CG2 4.46Å; V16-T116 VanDerWaalsContact CG1-OG1 3.27Å; V16-T116 WeakPolarHBondContact CG1-OG1 3.43Å; F17-T116 PolarHBondContact O-N 2.85Å; A109-T116 WeakPolarHBondContact O-CG2 3.44Å; A109-T116 PolarHBondContact O-OG1 2.84Å; T116-L146 HydrophobicContact CG2-CD1 4.05Å; T116-L146 HydrophobicContact CG2-CD2 4.42Å; T116-N193 WeakPolarHBondContact O-CA 3.28Å; T116-N193 WeakPolarHBondContact O-CB 3.05Å; T116-N193 PolarHBondContact O-N 2.82Å; T116-C194 HydrophobicContact CG2-CB 3.95Å; T116-C194 PolarHBondContact O-N 2.94Å
117F97.6Very high92.3Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-133.6147.5179.1-72.1-86.5000111.6I18 R19 L101 L142 C145 L146 F190 D191 N192I18-F117 WeakPolarHBondContact CA-O 3.46Å; R19-F117 PolarHBondContact N-O 2.85Å; L101-F117 HydrophobicContact CD1-CE2 4.27Å; F117-L142 HydrophobicContact CD1-CD2 3.76Å; F117-L142 HydrophobicContact CD2-CB 4.23Å; F117-L142 HydrophobicContact CD2-CD1 4.19Å; F117-L142 HydrophobicContact CD2-CD2 4.03Å; F117-L142 HydrophobicContact CD2-CG 4.37Å; F117-L142 HydrophobicContact CE1-CD2 3.76Å; F117-L142 HydrophobicContact CE2-CB 3.72Å; F117-L142 HydrophobicContact CE2-CD2 4.02Å; F117-L142 HydrophobicContact CE2-CG 4.28Å; F117-L142 HydrophobicContact CG-CD2 3.9Å; F117-L142 HydrophobicContact CZ-CB 3.98Å; F117-L142 HydrophobicContact CZ-CD2 3.89Å; F117-L142 HydrophobicContact CZ-CG 4.49Å; F117-L142 WeakPolarHBondContact CZ-O 3.43Å; F117-C145 HydrophobicContact CZ-CB 4.44Å; F117-L146 HydrophobicContact CE2-CD1 3.95Å; F117-L146 HydrophobicContact CE2-CD2 4.28Å; F117-L146 HydrophobicContact CE2-CG 4.03Å; F117-L146 HydrophobicContact CZ-CD1 4.3Å; F117-L146 HydrophobicContact CZ-CD2 4Å; F117-L146 HydrophobicContact CZ-CG 3.86Å; F117-F190 HydrophobicContact CB-CD1 4.43Å; F117-F190 HydrophobicContact CD1-CB 4.07Å; F117-D191 VanDerWaalsContact CA-O 3.28Å; F117-D191 WeakPolarHBondContact CA-O 3.4Å; F117-D191 WeakPolarHBondContact CD1-O 3.48Å; F117-N192 HydrophobicContact CD1-CB 4.26Å; F117-N192 HydrophobicContact CE1-CB 3.83Å
118E96.4Very high92.8Very high6 Ų631.2 Ų31.23%0.02817%0.168CC..EExtended strand (participates in β ladder)trans-110.3117.6169.1-166.3-164.2139.800111.1R19 S21 R172 F190 D191R19-E118 HydrophobicContact CB-CG 4.47Å; R19-E118 IonicContact NH2-OE2 3.95Å; R19-E118 CarbonylContact O-C 3.55Å; R19-E118 WeakPolarHBondContact O-CA 3.3Å; S21-E118 WeakPolarHBondContact CB-OE1 3.42Å; S21-E118 PolarHBondContact OG-OE1 2.99Å; E118-R172 IonicContact OE1-CZ 2.73Å; E118-R172 IonicContact OE1-NH1 3.56Å; E118-R172 PolarHBondContact OE1-NH1 2.8Å; E118-R172 IonicContact OE1-NH2 3.69Å; E118-R172 PolarHBondContact OE1-NH2 3.44Å; E118-R172 IonicContact OE2-CZ 3.97Å; E118-R172 IonicContact OE2-NH2 3.19Å; E118-R172 PolarHBondContact OE2-NH2 2.88Å; E118-F190 WeakPolarHBondContact O-CA 3.3Å; E118-D191 HydrophobicContact CB-CB 4.3Å; E118-D191 PolarHBondContact N-O 3.03Å; E118-D191 PolarHBondContact O-N 2.83Å
119R97Very high93.2Very high4 Ų431 Ų312%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-94.6114.3-172173-177.1177.8-151.5-8.1111.8I18 R19 I20 P79 E97 R121 Y160 D188 Y189 F190I18-R119 HydrophobicContact CG2-CB 3.46Å; I18-R119 VanDerWaalsContact CG2-CB 3.46Å; I18-R119 HydrophobicContact CG2-CG 4.41Å; R19-R119 PolarHBondContact O-N 2.75Å; I20-R119 HydrophobicContact CD1-CG 4.48Å; I20-R119 HydrophobicContact CG1-CB 4.11Å; I20-R119 HydrophobicContact CG1-CG 4.34Å; P79-R119 VanDerWaalsContact CD-NH2 3.26Å; E97-R119 IonicContact OE2-NH1 2.74Å; E97-R119 PolarHBondContact OE2-NH1 2.78Å; R119-R121 HydrophobicContact CG-CG 4.41Å; R119-Y160 PolarHBondContact NH2-OH 3.31Å; R119-D188 IonicContact CZ-OD2 3.29Å; R119-D188 IonicContact NE-OD2 2.76Å; R119-D188 PolarHBondContact NE-OD2 3.07Å; R119-D188 IonicContact NH2-OD2 2.73Å; R119-D188 PolarHBondContact NH2-OD2 2.84Å; R119-Y189 CarbonylContact C-O 3.56Å; R119-Y189 WeakPolarHBondContact CA-O 3.36Å; R119-F190 HydrophobicContact CB-CD1 3.75Å; R119-F190 HydrophobicContact CB-CE1 3.66Å; R119-F190 HydrophobicContact CB-CZ 4.46Å; R119-F190 HydrophobicContact CG-CD1 4.1Å; R119-F190 HydrophobicContact CG-CE1 3.56Å; R119-F190 HydrophobicContact CG-CZ 3.91Å
120T95.2Very high93.5Very high27 Ų2738.6 Ų38.617%0.16620%0.2CC..EExtended strand (participates in β ladder)trans-96108.1169.2-54.50000110M179 Y189T120-M179 HydrophobicContact CG2-CE 3.64Å; T120-Y189 PolarHBondContact N-O 2.66Å; T120-Y189 PolarHBondContact O-N 2.68Å; T120-Y189 VanDerWaalsContact O-N 3.1Å
121R93.5Very high93.9Very high101 Ų10143.2 Ų43.238%0.38122%0.216SC..THydrogen-bonded Turntrans-68.8145.4-174.4-66.7-178.368.3-150.95.5114.3I20 R119 S123 K181 D188I20-R121 HydrophobicContact CD1-CG 4.26Å; R119-R121 HydrophobicContact CG-CG 4.41Å; R121-S123 VanDerWaalsContact C-N 3.33Å; R121-S123 PolarHBondContact O-N 2.84Å; R121-K181 PolarHBondContact O-NZ 3.49Å; R121-D188 VanDerWaalsContact CA-OD1 3.25Å; R121-D188 WeakPolarHBondContact CA-OD1 3.37Å
122S93.5Very high94.4Very high60 Ų6045.3 Ų45.342%0.4223%0.23SC..THydrogen-bonded Turntrans51.949.4177.2-51.60000111.7K181 S182 M187 D188S122-K181 CarbonylContact O-C 3.58Å; S122-K181 WeakPolarHBondContact O-CA 3.39Å; S122-K181 WeakPolarHBondContact O-CD 3.34Å; S122-S182 PolarHBondContact O-N 2.89Å; S122-M187 CarbonylContact C-O 3.54Å; S122-M187 VanDerWaalsContact CA-O 3.23Å; S122-M187 WeakPolarHBondContact CA-O 3.12Å; S122-D188 PolarHBondContact N-OD1 2.96Å
123S95.7Very high95Very high3 Ų344.9 Ų44.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-151.3158.8-169.1-103.20000111.4R121 R180 K181 M187 D188 Y189R121-S123 VanDerWaalsContact C-N 3.33Å; R121-S123 PolarHBondContact O-N 2.84Å; S123-R180 WeakPolarHBondContact CA-O 3.37Å; S123-R180 VanDerWaalsContact CB-O 3.26Å; S123-R180 WeakPolarHBondContact CB-O 3.32Å; S123-R180 PolarHBondContact OG-O 2.93Å; S123-K181 PolarHBondContact OG-NZ 2.85Å; S123-M187 PolarHBondContact N-O 2.81Å; S123-D188 CarbonylContact O-C 3.57Å; S123-D188 VanDerWaalsContact O-C 3.31Å; S123-Y189 WeakPolarHBondContact O-CB 3.31Å; S123-Y189 PolarHBondContact O-N 2.74Å
124R96.1Very high95.5Very high75 Ų7550 Ų5028%0.28326%0.255SS..EExtended strand (participates in β ladder)trans-152.8155.8179.572.2-178-164.8148.32.8112E126 N157 M179 R180 M187R124-E126 HydrophobicContact CG-CG 3.99Å; R124-E126 IonicContact CZ-OE1 3.19Å; R124-E126 IonicContact NE-OE1 2.85Å; R124-E126 PolarHBondContact NE-OE1 3.14Å; R124-E126 VanDerWaalsContact NH2-CD 3.32Å; R124-E126 IonicContact NH2-OE1 2.72Å; R124-E126 PolarHBondContact NH2-OE1 2.75Å; R124-N157 WeakPolarHBondContact CA-OD1 3.47Å; R124-M179 VanDerWaalsContact O-SD 3.37Å; R124-R180 PolarHBondContact N-O 2.85Å; R124-R180 VanDerWaalsContact N-O 3.13Å; R124-R180 PolarHBondContact O-N 2.96Å; R124-M187 HydrophobicContact CB-CG 4.28Å; R124-M187 HydrophobicContact CB-SD 3.43Å; R124-M187 WeakPolarHBondContact CB-SD 3.19Å; R124-M187 VanDerWaalsContact CD-SD 3.58Å; R124-M187 HydrophobicContact CG-SD 4.15Å
125L96.2Very high95.8Very high5 Ų551.3 Ų51.33%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-97.1120.7167.2179.760.7000109.4F128 N157 Q170 K175 Y189L125-F128 HydrophobicContact CD1-CD2 4.16Å; L125-F128 HydrophobicContact CD2-CB 4.4Å; L125-F128 HydrophobicContact CG-CD2 4.16Å; L125-N157 PolarHBondContact N-OD1 2.73Å; L125-N157 PolarHBondContact O-ND2 3.1Å; L125-N157 VanDerWaalsContact O-ND2 3.08Å; L125-Q170 HydrophobicContact CD2-CB 4.08Å; L125-K175 HydrophobicContact CD1-CB 4.05Å; L125-Y189 HydrophobicContact CB-CD2 4.05Å; L125-Y189 HydrophobicContact CB-CE2 3.55Å; L125-Y189 HydrophobicContact CD2-CE2 4.31Å
126E94.5Very high95.8Very high58 Ų5853.6 Ų53.627%0.27129%0.288SS..  trans-93.8132.5-172.8-58.8-169.615800112.8R124 F128 Y178 R180R124-E126 HydrophobicContact CG-CG 3.99Å; R124-E126 IonicContact CZ-OE1 3.19Å; R124-E126 IonicContact NE-OE1 2.85Å; R124-E126 PolarHBondContact NE-OE1 3.14Å; R124-E126 VanDerWaalsContact NH2-CD 3.32Å; R124-E126 IonicContact NH2-OE1 2.72Å; R124-E126 PolarHBondContact NH2-OE1 2.75Å; E126-F128 WeakPolarHBondContact O-CD2 3.37Å; E126-F128 VanDerWaalsContact O-CE2 3.3Å; E126-F128 WeakPolarHBondContact O-CE2 3.2Å; E126-Y178 PolarHBondContact N-O 3.04Å; E126-Y178 VanDerWaalsContact N-O 3.07Å; E126-R180 HydrophobicContact CG-CB 4.29Å; E126-R180 HydrophobicContact CG-CG 3.97Å; E126-R180 WeakPolarHBondContact OE1-CG 3.35Å; E126-R180 WeakPolarHBondContact OE2-CG 3.44Å
127G92.6Very high95.8Very high75 Ų7555 Ų5577%0.77330%0.298SS*.SBendtrans86.31.4167.900000117.1
128F94.3Very high95.7Very high48 Ų4855.6 Ų55.621%0.21130%0.301CS..  trans-116.122.5-179.2-58.6-79000114L125 E126 R130 S168 Q170 K175 Y178L125-F128 HydrophobicContact CD1-CD2 4.16Å; L125-F128 HydrophobicContact CD2-CB 4.4Å; L125-F128 HydrophobicContact CG-CD2 4.16Å; E126-F128 WeakPolarHBondContact O-CD2 3.37Å; E126-F128 VanDerWaalsContact O-CE2 3.3Å; E126-F128 WeakPolarHBondContact O-CE2 3.2Å; F128-R130 PolarHBondContact O-N 3.2Å; F128-S168 WeakPolarHBondContact CB-OG 3.14Å; F128-S168 VanDerWaalsContact O-CB 3.24Å; F128-S168 WeakPolarHBondContact O-CB 3.27Å; F128-S168 PolarHBondContact O-OG 2.95Å; F128-Q170 HydrophobicContact CB-CB 4Å; F128-Q170 HydrophobicContact CB-CG 3.92Å; F128-Q170 HydrophobicContact CD1-CB 4.47Å; F128-Q170 HydrophobicContact CD1-CG 3.72Å; F128-Q170 HydrophobicContact CG-CB 4.16Å; F128-Q170 HydrophobicContact CG-CG 3.89Å; F128-K175 HydrophobicContact CD1-CG 4.28Å; F128-K175 HydrophobicContact CD2-CB 4.16Å; F128-K175 HydrophobicContact CD2-CG 4.05Å; F128-K175 HydrophobicContact CE1-CD 3.87Å; F128-K175 HydrophobicContact CE1-CG 4.01Å; F128-K175 HydrophobicContact CE2-CB 3.88Å; F128-K175 HydrophobicContact CE2-CD 4.12Å; F128-K175 HydrophobicContact CE2-CG 3.8Å; F128-K175 HydrophobicContact CG-CG 4.3Å; F128-K175 HydrophobicContact CZ-CB 4.3Å; F128-K175 HydrophobicContact CZ-CD 3.63Å; F128-K175 HydrophobicContact CZ-CG 3.79Å; F128-Y178 AromaticContact CE2-CD1 3.95Å; F128-Y178 HydrophobicContact CE2-CD1 3.95Å; F128-Y178 AromaticContact CE2-CD2 3.52Å; F128-Y178 HydrophobicContact CE2-CD2 3.52Å; F128-Y178 HydrophobicContact CE2-CE1 4.36Å; F128-Y178 AromaticContact CE2-CE2 3.97Å; F128-Y178 HydrophobicContact CE2-CE2 3.97Å; F128-Y178 AromaticContact CE2-CG 3.5Å; F128-Y178 HydrophobicContact CE2-CG 3.5Å; F128-Y178 AromaticContact CZ-CD2 3.85Å; F128-Y178 HydrophobicContact CZ-CD2 3.85Å; F128-Y178 HydrophobicContact CZ-CE1 4.5Å; F128-Y178 AromaticContact CZ-CE2 3.82Å; F128-Y178 HydrophobicContact CZ-CE2 3.82Å; F128-Y178 HydrophobicContact CZ-CG 4.2Å
129V96Very high95.7Very high59 Ų5957.4 Ų57.436%0.35831%0.309SS..  trans-68.5119.6174.8-1760000109R131 E166V129-R131 WeakPolarHBondContact CG1-O 3.41Å; V129-E166 HydrophobicContact CB-CB 4.45Å; V129-E166 HydrophobicContact CG1-CB 3.8Å; V129-E166 HydrophobicContact CG1-CG 4.31Å; V129-E166 HydrophobicContact CG2-CB 3.82Å; V129-E166 HydrophobicContact CG2-CG 4.28Å
130R96.7Very high95.7Very high158 Ų15860 Ų6060%0.59632%0.323SS*.SBendtrans-94-37.8175.3-66.6-58.8-169.614812.8111.9F128 F151 M167 D169F128-R130 PolarHBondContact O-N 3.2Å; R130-F151 HydrophobicContact CB-CD1 3.96Å; R130-F151 HydrophobicContact CB-CD2 4.27Å; R130-F151 HydrophobicContact CB-CE1 3.58Å; R130-F151 HydrophobicContact CB-CE2 3.9Å; R130-F151 HydrophobicContact CB-CG 4.31Å; R130-F151 HydrophobicContact CB-CZ 3.55Å; R130-F151 HydrophobicContact CG-CD2 4.31Å; R130-F151 HydrophobicContact CG-CE2 4.26Å; R130-F151 HydrophobicContact CG-CG 4.49Å; R130-F151 HydrophobicContact CG-CZ 4.4Å; R130-M167 PolarHBondContact N-O 3.37Å; R130-D169 HydrophobicContact CG-CB 4.23Å; R130-D169 VanDerWaalsContact CG-OD1 3.27Å; R130-D169 WeakPolarHBondContact CG-OD1 3.42Å; R130-D169 IonicContact CZ-OD1 2.73Å; R130-D169 IonicContact CZ-OD2 2.87Å; R130-D169 IonicContact NE-OD1 3.96Å; R130-D169 PolarHBondContact NE-OD1 2.79Å; R130-D169 IonicContact NE-OD2 3.35Å; R130-D169 PolarHBondContact NE-OD2 2.76Å; R130-D169 IonicContact NH2-OD1 2.69Å; R130-D169 PolarHBondContact NH2-OD1 3.06Å; R130-D169 IonicContact NH2-OD2 3.6Å; R130-D169 PolarHBondContact NH2-OD2 2.94Å
131R96.9Very high95.8Very high110 Ų11058.7 Ų58.742%0.41532%0.315SS..EExtended strand (participates in β ladder)trans-139.5137176.8-167178.9-173.91682.2109V129 I133 E148 F151 M167V129-R131 WeakPolarHBondContact CG1-O 3.41Å; R131-I133 HydrophobicContact CG-CG2 4.29Å; R131-E148 WeakPolarHBondContact CD-OE2 3.31Å; R131-E148 IonicContact CZ-OE2 2.8Å; R131-E148 IonicContact NE-OE2 2.76Å; R131-E148 IonicContact NH1-OE1 2.69Å; R131-E148 PolarHBondContact NH1-OE1 3.08Å; R131-E148 IonicContact NH1-OE2 3.16Å; R131-E148 PolarHBondContact NH1-OE2 3.22Å; R131-F151 HydrophobicContact CB-CE1 4Å; R131-F151 HydrophobicContact CB-CZ 4.23Å; R131-M167 HydrophobicContact CB-CE 4.16Å; R131-M167 HydrophobicContact CG-CE 4.19Å; R131-M167 PolarHBondContact N-O 3.03Å; R131-M167 PolarHBondContact O-N 3.1Å
132S97.5Very high96.1Very high59 Ų5953.9 Ų53.941%0.41330%0.297SS..EExtended strand (participates in β ladder)trans-125.3129.9171.3-174.80000108.9C165S132-C165 WeakPolarHBondContact CA-O 3.22Å
133I97.4Very high96.3Very high55 Ų5551.2 Ų51.228%0.28228%0.279SS..EExtended strand (participates in β ladder)trans-136.3154.9179.158.7175000109.6R131 V135 A144 F164 C165 M167R131-I133 HydrophobicContact CG-CG2 4.29Å; I133-V135 HydrophobicContact CD1-CG1 3.83Å; I133-V135 HydrophobicContact CG1-CG1 4Å; I133-A144 HydrophobicContact CD1-CB 3.79Å; I133-F164 WeakPolarHBondContact O-CA 3.41Å; I133-C165 HydrophobicContact CG1-CB 3.91Å; I133-C165 PolarHBondContact N-O 3.4Å; I133-C165 PolarHBondContact O-N 2.69Å; I133-M167 HydrophobicContact CD1-CE 4.31Å
134Q97.3Very high96.4Very high133 Ų13352.3 Ų52.362%0.62129%0.287SS*.EExtended strand (participates in β ladder)trans-98.2136.6168.9-163.2175.530.900109.1T162 F163 F164Q134-T162 PolarHBondContact NE2-O 2.91Å; Q134-F163 WeakPolarHBondContact CA-O 3.32Å; Q134-F163 HydrophobicContact CG-CB 4.14Å; Q134-F164 HydrophobicContact CB-CD1 4.21Å; Q134-F164 HydrophobicContact CB-CE1 4.14Å
135V96.9Very high96.5Very high32 Ų3248.9 Ų48.919%0.19428%0.275CS..  trans-131.5179.4-175.3-63.40000111.7I133 S137 D140 C141 Y158 F163 C165I133-V135 HydrophobicContact CD1-CG1 3.83Å; I133-V135 HydrophobicContact CG1-CG1 4Å; V135-S137 WeakPolarHBondContact CG2-O 3.38Å; V135-D140 HydrophobicContact CB-CB 3.78Å; V135-D140 HydrophobicContact CG1-CB 4.24Å; V135-D140 HydrophobicContact CG2-CB 4.18Å; V135-C141 HydrophobicContact CG2-CB 3.95Å; V135-Y158 HydrophobicContact CG2-CE2 3.88Å; V135-F163 PolarHBondContact N-O 2.99Å; V135-F163 VanDerWaalsContact N-O 3.08Å; V135-F163 VanDerWaalsContact O-CB 3.27Å; V135-F163 WeakPolarHBondContact O-CB 3.42Å; V135-C165 HydrophobicContact CG1-CB 4.39Å; V135-C165 HydrophobicContact CG2-CB 4.28Å
136G94.5Very high96.5Very high56 Ų5650.1 Ų50.158%0.57728%0.281SS*.SBendtrans-82.6-3217600000113.9D140 F163G136-D140 WeakPolarHBondContact CA-OD2 3.44Å; G136-D140 PolarHBondContact N-OD2 2.71Å; G136-F163 WeakPolarHBondContact O-CD1 3.3Å
137S95.2Very high96.5Very high31 Ų3151.4 Ų51.422%0.21729%0.29CS..SBendtrans-151.1170.2-169.765.70000113.3V135 E139 D140 C141V135-S137 WeakPolarHBondContact CG2-O 3.38Å; S137-E139 PolarHBondContact O-N 2.76Å; S137-E139 PolarHBondContact OG-N 3.31Å; S137-D140 WeakPolarHBondContact CB-OD2 3.34Å; S137-D140 PolarHBondContact N-OD2 2.89Å; S137-D140 PolarHBondContact OG-N 3.16Å; S137-D140 PolarHBondContact OG-OD2 3.16Å; S137-C141 PolarHBondContact O-N 3.22Å
138R96Very high96.6Very high13 Ų1348.8 Ų48.85%0.04926%0.258CS..Hα-helixtrans-62.8-35.8169.5173.1-170.963175.9-0.7110.3E97 C141 L142 Y158 Y160 F190E97-R138 IonicContact OE1-CZ 3.39Å; E97-R138 IonicContact OE1-NH1 2.75Å; E97-R138 PolarHBondContact OE1-NH1 2.85Å; E97-R138 IonicContact OE1-NH2 3.57Å; E97-R138 PolarHBondContact OE1-NH2 2.89Å; E97-R138 IonicContact OE2-NH1 3.2Å; R138-C141 WeakPolarHBondContact O-CB 3.4Å; R138-C141 PolarHBondContact O-N 3.2Å; R138-L142 HydrophobicContact CG-CD1 3.97Å; R138-L142 HydrophobicContact CG-CG 4.28Å; R138-L142 WeakPolarHBondContact O-CG 3.49Å; R138-L142 PolarHBondContact O-N 3.1Å; R138-Y158 HydrophobicContact CB-CD1 3.9Å; R138-Y158 HydrophobicContact CB-CE1 3.75Å; R138-Y158 HydrophobicContact CB-CG 4.44Å; R138-Y158 HydrophobicContact CG-CD1 4.25Å; R138-Y158 PolarHBondContact N-OH 3.19Å; R138-Y160 HydrophobicContact CB-CE1 4.48Å; R138-F190 HydrophobicContact CG-CZ 4.07Å
139E96.3Very high96.5Very high44 Ų4452.7 Ų52.721%0.20628%0.281CS..Hα-helixtrans-64.9-44.1-177.8-69.156.3-133.400110.7V99 L101 S137 C141 S143V99-E139 HydrophobicContact CG1-CG 3.66Å; L101-E139 HydrophobicContact CD2-CB 4.45Å; S137-E139 PolarHBondContact O-N 2.76Å; S137-E139 PolarHBondContact OG-N 3.31Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 3.42Å; E139-S143 VanDerWaalsContact O-CB 3.32Å; E139-S143 WeakPolarHBondContact O-CB 3.39Å; E139-S143 PolarHBondContact O-N 2.97Å; E139-S143 PolarHBondContact O-OG 3.28Å
140D97.2Very high96.2Very high58 Ų5853.8 Ų53.831%0.3129%0.291SS..Hα-helixtrans-59.9-42.5170.6-60.5-50.9000111.6V135 G136 S137 S143 A144V135-D140 HydrophobicContact CB-CB 3.78Å; V135-D140 HydrophobicContact CG1-CB 4.24Å; V135-D140 HydrophobicContact CG2-CB 4.18Å; G136-D140 WeakPolarHBondContact CA-OD2 3.44Å; G136-D140 PolarHBondContact N-OD2 2.71Å; S137-D140 WeakPolarHBondContact CB-OD2 3.34Å; S137-D140 PolarHBondContact N-OD2 2.89Å; S137-D140 PolarHBondContact OG-N 3.16Å; S137-D140 PolarHBondContact OG-OD2 3.16Å; D140-S143 PolarHBondContact O-N 3.29Å; D140-A144 WeakPolarHBondContact O-CB 3.44Å; D140-A144 PolarHBondContact O-N 3.44Å
141C98.2Very high96Very high0 Ų047.5 Ų47.50%027%0.268CS..Hα-helixtrans-64.7-47.1-179.4176.10000112.7V135 S137 R138 E139 S143 A144 C145 V156 Y158 C165V135-C141 HydrophobicContact CG2-CB 3.95Å; S137-C141 PolarHBondContact O-N 3.22Å; R138-C141 WeakPolarHBondContact O-CB 3.4Å; R138-C141 PolarHBondContact O-N 3.2Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 3.42Å; C141-S143 PolarHBondContact O-N 3.05Å; C141-A144 PolarHBondContact O-N 3.07Å; C141-C145 PolarHBondContact O-N 2.82Å; C141-C145 VanDerWaalsContact O-N 3.17Å; C141-V156 WeakPolarHBondContact SG-CG1 3.06Å; C141-Y158 HydrophobicContact CB-CD2 3.6Å; C141-Y158 HydrophobicContact CB-CE2 4.03Å; C141-Y158 HydrophobicContact CB-CG 4.43Å; C141-C165 WeakPolarHBondContact CA-SG 3.43Å; C141-C165 HydrophobicContact CB-CB 3.58Å; C141-C165 WeakPolarHBondContact CB-SG 3.37Å; C141-C165 PolarHBondContact O-SG 2.88Å; C141-C165 VanDerWaalsContact SG-CA 3.52Å; C141-C165 WeakPolarHBondContact SG-CB 3.33Å; C141-C165 CovalentContact SG-SG 2.02Å; C141-C165 PolarHBondContact SG-SG 2.85Å
142L98.2Very high95.8Very high0 Ų043.2 Ų43.20%025%0.254CS..Hα-helixtrans-64.3-32.8175.3-66.4177.4000111.3I18 L101 F117 R138 C145 L146 F190I18-L142 HydrophobicContact CD1-CD1 3.45Å; I18-L142 VanDerWaalsContact CD1-CD1 3.45Å; I18-L142 HydrophobicContact CG1-CD1 4.28Å; L101-L142 HydrophobicContact CD2-CB 3.85Å; L101-L142 HydrophobicContact CD2-CD1 4.48Å; F117-L142 HydrophobicContact CD1-CD2 3.76Å; F117-L142 HydrophobicContact CD2-CB 4.23Å; F117-L142 HydrophobicContact CD2-CD1 4.19Å; F117-L142 HydrophobicContact CD2-CD2 4.03Å; F117-L142 HydrophobicContact CD2-CG 4.37Å; F117-L142 HydrophobicContact CE1-CD2 3.76Å; F117-L142 HydrophobicContact CE2-CB 3.72Å; F117-L142 HydrophobicContact CE2-CD2 4.02Å; F117-L142 HydrophobicContact CE2-CG 4.28Å; F117-L142 HydrophobicContact CG-CD2 3.9Å; F117-L142 HydrophobicContact CZ-CB 3.98Å; F117-L142 HydrophobicContact CZ-CD2 3.89Å; F117-L142 HydrophobicContact CZ-CG 4.49Å; F117-L142 WeakPolarHBondContact CZ-O 3.43Å; R138-L142 HydrophobicContact CG-CD1 3.97Å; R138-L142 HydrophobicContact CG-CG 4.28Å; R138-L142 WeakPolarHBondContact O-CG 3.49Å; R138-L142 PolarHBondContact O-N 3.1Å; L142-C145 PolarHBondContact O-N 2.96Å; L142-L146 PolarHBondContact O-N 3.36Å; L142-F190 HydrophobicContact CD1-CD1 4.31Å; L142-F190 HydrophobicContact CD1-CE1 4.31Å; L142-F190 HydrophobicContact CD2-CB 3.96Å; L142-F190 HydrophobicContact CD2-CD1 3.89Å; L142-F190 HydrophobicContact CD2-CD2 4.3Å; L142-F190 HydrophobicContact CD2-CE1 4.48Å; L142-F190 HydrophobicContact CD2-CG 3.8Å
143S97.9Very high95.8Very high4 Ų440.6 Ų40.63%0.02824%0.235CC..Hα-helixtrans-70.2-43.1175-55.50000112.1L101 P102 I104 E139 D140 C141 C145 L146 L147L101-S143 WeakPolarHBondContact CB-OG 3.05Å; P102-S143 WeakPolarHBondContact CD-OG 3.35Å; P102-S143 PolarHBondContact O-OG 2.63Å; I104-S143 VanDerWaalsContact CD1-CA 3.41Å; I104-S143 WeakPolarHBondContact CD1-O 3.4Å; E139-S143 VanDerWaalsContact O-CB 3.32Å; E139-S143 WeakPolarHBondContact O-CB 3.39Å; E139-S143 PolarHBondContact O-N 2.97Å; E139-S143 PolarHBondContact O-OG 3.28Å; D140-S143 PolarHBondContact O-N 3.29Å; C141-S143 PolarHBondContact O-N 3.05Å; S143-C145 PolarHBondContact O-N 2.91Å; S143-L146 PolarHBondContact O-N 2.8Å; S143-L146 VanDerWaalsContact O-N 3.11Å; S143-L147 PolarHBondContact O-N 3.33Å
144A97.8Very high95.7Very high25 Ų2539.7 Ų39.721%0.20723%0.228CC..Hα-helixtrans-57.5-37174.600000112.3I133 D140 C141 L147 E148 M167I133-A144 HydrophobicContact CD1-CB 3.79Å; D140-A144 WeakPolarHBondContact O-CB 3.44Å; D140-A144 PolarHBondContact O-N 3.44Å; C141-A144 PolarHBondContact O-N 3.07Å; A144-L147 CarbonylContact O-C 3.43Å; A144-L147 PolarHBondContact O-N 3.02Å; A144-E148 PolarHBondContact O-N 2.96Å; A144-M167 VanDerWaalsContact C-SD 3.53Å; A144-M167 HydrophobicContact CB-CE 4.29Å; A144-M167 HydrophobicContact CB-SD 3.87Å
145C98.1Very high95.7Very high4 Ų433.4 Ų33.43%0.02720%0.199CC..Hα-helixtrans-66.3-38.3175.8177.30000113.1F117 C141 L142 S143 L147 C153 V156 M167F117-C145 HydrophobicContact CZ-CB 4.44Å; C141-C145 PolarHBondContact O-N 2.82Å; C141-C145 VanDerWaalsContact O-N 3.17Å; L142-C145 PolarHBondContact O-N 2.96Å; S143-C145 PolarHBondContact O-N 2.91Å; C145-L147 VanDerWaalsContact C-N 3.32Å; C145-C153 HydrophobicContact CB-CB 4.02Å; C145-C153 WeakPolarHBondContact CB-SG 3.48Å; C145-C153 WeakPolarHBondContact O-CB 3.43Å; C145-C153 WeakPolarHBondContact SG-CB 3.4Å; C145-C153 CovalentContact SG-SG 2.04Å; C145-C153 PolarHBondContact SG-SG 2.63Å; C145-V156 HydrophobicContact CB-CG2 3.53Å; C145-V156 WeakPolarHBondContact SG-CG2 3.41Å; C145-M167 WeakPolarHBondContact CA-SD 3.33Å; C145-M167 HydrophobicContact CB-CG 4.44Å; C145-M167 HydrophobicContact CB-SD 3.91Å; C145-M167 PolarHBondContact N-SD 3.02Å
146L96.7Very high95.8Very high30 Ų3031.9 Ų31.916%0.15719%0.19CC..Hα-helixtrans-75.6-20.7177.5-66.6175.7000113.4L101 I104 T116 F117 L142 S143 C194L101-L146 HydrophobicContact CD1-CD1 3.7Å; I104-L146 HydrophobicContact CD1-CB 3.67Å; I104-L146 HydrophobicContact CD1-CD1 3.83Å; I104-L146 HydrophobicContact CD1-CG 4.36Å; T116-L146 HydrophobicContact CG2-CD1 4.05Å; T116-L146 HydrophobicContact CG2-CD2 4.42Å; F117-L146 HydrophobicContact CE2-CD1 3.95Å; F117-L146 HydrophobicContact CE2-CD2 4.28Å; F117-L146 HydrophobicContact CE2-CG 4.03Å; F117-L146 HydrophobicContact CZ-CD1 4.3Å; F117-L146 HydrophobicContact CZ-CD2 4Å; F117-L146 HydrophobicContact CZ-CG 3.86Å; L142-L146 PolarHBondContact O-N 3.36Å; S143-L146 PolarHBondContact O-N 2.8Å; S143-L146 VanDerWaalsContact O-N 3.11Å; L146-C194 HydrophobicContact CD2-CB 3.76Å
147L95.2Very high95.9Very high85 Ų8529.5 Ų29.545%0.44516%0.164SC..THydrogen-bonded Turntrans-101.54.1177.8-64.7175.8000113.3I104 S143 A144 C145 D149I104-L147 HydrophobicContact CD1-CD1 4.2Å; I104-L147 HydrophobicContact CD1-CD2 4.48Å; I104-L147 HydrophobicContact CD1-CG 3.92Å; I104-L147 HydrophobicContact CG1-CD1 3.81Å; I104-L147 HydrophobicContact CG1-CD2 4.13Å; I104-L147 HydrophobicContact CG1-CG 3.88Å; S143-L147 PolarHBondContact O-N 3.33Å; A144-L147 CarbonylContact O-C 3.43Å; A144-L147 PolarHBondContact O-N 3.02Å; C145-L147 VanDerWaalsContact C-N 3.32Å; L147-D149 PolarHBondContact O-N 3.06Å
148E95.1Very high96.1Very high21 Ų2128.2 Ų28.210%0.09815%0.154CC..  trans-69.4122.3178-178.862.3-10600110.6R131 A144 S150 F151 C153 M167R131-E148 WeakPolarHBondContact CD-OE2 3.31Å; R131-E148 IonicContact CZ-OE2 2.8Å; R131-E148 IonicContact NE-OE2 2.76Å; R131-E148 IonicContact NH1-OE1 2.69Å; R131-E148 PolarHBondContact NH1-OE1 3.08Å; R131-E148 IonicContact NH1-OE2 3.16Å; R131-E148 PolarHBondContact NH1-OE2 3.22Å; A144-E148 PolarHBondContact O-N 2.96Å; E148-S150 WeakPolarHBondContact OE1-CB 3.44Å; E148-S150 PolarHBondContact OE1-N 2.8Å; E148-S150 VanDerWaalsContact OE1-N 3.12Å; E148-S150 PolarHBondContact OE1-OG 3.26Å; E148-F151 HydrophobicContact CG-CD1 3.89Å; E148-F151 HydrophobicContact CG-CD2 4.37Å; E148-F151 HydrophobicContact CG-CE1 3.6Å; E148-F151 HydrophobicContact CG-CE2 4.12Å; E148-F151 HydrophobicContact CG-CG 4.25Å; E148-F151 HydrophobicContact CG-CZ 3.72Å; E148-F151 WeakPolarHBondContact CG-O 3.44Å; E148-C153 HydrophobicContact CB-CB 4.2Å; E148-M167 VanDerWaalsContact OE2-CE 3.27Å; E148-M167 WeakPolarHBondContact OE2-CE 3.34Å
149D91.1Very high96Very high130 Ų13028 Ų2870%0.69515%0.154SC*.  trans-105.5-25-175.661.7-19.3000112.9L147L147-D149 PolarHBondContact O-N 3.06Å
150S90.7Very high95.9Very high81 Ų8128.3 Ų28.357%0.56615%0.154SC*.SBendtrans-77-21.1-177.568.20000114.3E148E148-S150 WeakPolarHBondContact OE1-CB 3.44Å; E148-S150 PolarHBondContact OE1-N 2.8Å; E148-S150 VanDerWaalsContact OE1-N 3.12Å; E148-S150 PolarHBondContact OE1-OG 3.26Å
151F92.4Very high95.7Very high26 Ų2630.9 Ų30.911%0.11417%0.168CC..SBendtrans-157.4158.8171.262.4-84000110.4R130 R131 E148 C153 M167 D169R130-F151 HydrophobicContact CB-CD1 3.96Å; R130-F151 HydrophobicContact CB-CD2 4.27Å; R130-F151 HydrophobicContact CB-CE1 3.58Å; R130-F151 HydrophobicContact CB-CE2 3.9Å; R130-F151 HydrophobicContact CB-CG 4.31Å; R130-F151 HydrophobicContact CB-CZ 3.55Å; R130-F151 HydrophobicContact CG-CD2 4.31Å; R130-F151 HydrophobicContact CG-CE2 4.26Å; R130-F151 HydrophobicContact CG-CG 4.49Å; R130-F151 HydrophobicContact CG-CZ 4.4Å; R131-F151 HydrophobicContact CB-CE1 4Å; R131-F151 HydrophobicContact CB-CZ 4.23Å; E148-F151 HydrophobicContact CG-CD1 3.89Å; E148-F151 HydrophobicContact CG-CD2 4.37Å; E148-F151 HydrophobicContact CG-CE1 3.6Å; E148-F151 HydrophobicContact CG-CE2 4.12Å; E148-F151 HydrophobicContact CG-CG 4.25Å; E148-F151 HydrophobicContact CG-CZ 3.72Å; E148-F151 WeakPolarHBondContact CG-O 3.44Å; F151-C153 HydrophobicContact CE2-CB 4.14Å; F151-C153 PolarHBondContact O-N 2.8Å; F151-M167 HydrophobicContact CE2-CB 4.4Å; F151-M167 HydrophobicContact CZ-CB 3.92Å; F151-D169 HydrophobicContact CD2-CB 3.96Å
152V92.6Very high95.5Very high20 Ų2033.5 Ų33.512%0.12118%0.184CC..  trans-74103.7174.9-173.70000109.6R154 L195 N199 H203V152-R154 PolarHBondContact O-N 2.87Å; V152-R154 VanDerWaalsContact O-N 3.14Å; V152-L195 HydrophobicContact CG1-CD2 3.6Å; V152-N199 HydrophobicContact CG1-CB 3.88Å; V152-N199 WeakPolarHBondContact CG1-O 3.11Å; V152-N199 HydrophobicContact CG2-CB 3.84Å; V152-H203 HydrophobicContact CG2-CB 4.15Å
153C96.5Very high95.4Very high4 Ų437.7 Ų37.73%0.02720%0.202CC..  trans-64.9111.6174.5-175.90000110.8C145 E148 F151 S168 N192C145-C153 HydrophobicContact CB-CB 4.02Å; C145-C153 WeakPolarHBondContact CB-SG 3.48Å; C145-C153 WeakPolarHBondContact O-CB 3.43Å; C145-C153 WeakPolarHBondContact SG-CB 3.4Å; C145-C153 CovalentContact SG-SG 2.04Å; C145-C153 PolarHBondContact SG-SG 2.63Å; E148-C153 HydrophobicContact CB-CB 4.2Å; F151-C153 HydrophobicContact CE2-CB 4.14Å; F151-C153 PolarHBondContact O-N 2.8Å; C153-S168 CarbonylContact C-O 3.51Å; C153-S168 WeakPolarHBondContact CA-O 3.42Å; C153-N192 PolarHBondContact O-ND2 2.82Å
154R95.8Very high95.3Very high36 Ų3641.8 Ų41.814%0.13622%0.22CC..  trans-100.5-26.4178.4-76179.957.1176.15.3113.1V152 S168 D169 D171 N192 L195V152-R154 PolarHBondContact O-N 2.87Å; V152-R154 VanDerWaalsContact O-N 3.14Å; R154-S168 PolarHBondContact N-O 3.49Å; R154-D169 WeakPolarHBondContact CD-O 3.28Å; R154-D171 HydrophobicContact CB-CB 4.42Å; R154-D171 IonicContact CZ-OD2 3.83Å; R154-D171 VanDerWaalsContact CZ-OD2 3.3Å; R154-D171 IonicContact NE-OD2 3.75Å; R154-D171 PolarHBondContact NE-OD2 3.44Å; R154-D171 VanDerWaalsContact NE-OD2 3.11Å; R154-D171 IonicContact NH2-OD1 2.74Å; R154-D171 IonicContact NH2-OD2 2.66Å; R154-D171 PolarHBondContact NH2-OD2 3.35Å; R154-N192 WeakPolarHBondContact O-CB 3.13Å; R154-N192 PolarHBondContact O-N 2.86Å; R154-L195 HydrophobicContact CG-CD1 3.91Å
155S97.6Very high95.4Very high1 Ų140.6 Ų40.61%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-156.5166.5171.268.40000114.2S168 Q170 Y189 F190S155-S168 PolarHBondContact N-O 2.88Å; S155-S168 PolarHBondContact O-N 2.93Å; S155-Q170 WeakPolarHBondContact CB-O 3.33Å; S155-Q170 PolarHBondContact N-O 2.88Å; S155-Q170 PolarHBondContact OG-O 2.93Å; S155-Y189 VanDerWaalsContact CB-CE2 3.5Å; S155-Y189 VanDerWaalsContact CB-CZ 3.42Å; S155-Y189 WeakPolarHBondContact CB-OH 3Å; S155-Y189 VanDerWaalsContact OG-CE2 3.31Å; S155-Y189 WeakPolarHBondContact OG-CE2 3.36Å; S155-Y189 PolarHBondContact OG-OH 3.05Å; S155-F190 CarbonylContact C-O 3.55Å; S155-F190 WeakPolarHBondContact CA-O 3.3Å; S155-F190 WeakPolarHBondContact CB-O 3.36Å
156V98.3Very high95.4Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-135.1136-173.7172.20000110.8C141 C145 E166 M167 Y189 F190C141-V156 WeakPolarHBondContact SG-CG1 3.06Å; C145-V156 HydrophobicContact CB-CG2 3.53Å; C145-V156 WeakPolarHBondContact SG-CG2 3.41Å; V156-E166 CarbonylContact C-O 3.59Å; V156-E166 VanDerWaalsContact CA-O 3.3Å; V156-E166 WeakPolarHBondContact CA-O 3.29Å; V156-M167 HydrophobicContact CG2-CG 4.23Å; V156-Y189 CarbonylContact O-C 3.58Å; V156-Y189 WeakPolarHBondContact O-CA 3.26Å; V156-Y189 WeakPolarHBondContact O-CD2 3.36Å; V156-F190 HydrophobicContact CB-CB 4.37Å; V156-F190 PolarHBondContact N-O 2.03Å; V156-F190 PolarHBondContact O-N 3.17Å
157N97.9Very high95.4Very high6 Ų641.1 Ų41.13%0.03221%0.211CC..EExtended strand (participates in β ladder)trans-96.3135.7154.2-49.4-41.2000108.7R124 L125 E166 M187 Y189R124-N157 WeakPolarHBondContact CA-OD1 3.47Å; L125-N157 PolarHBondContact N-OD1 2.73Å; L125-N157 PolarHBondContact O-ND2 3.1Å; L125-N157 VanDerWaalsContact O-ND2 3.08Å; N157-E166 HydrophobicContact CB-CB 4.07Å; N157-E166 HydrophobicContact CB-CG 4.49Å; N157-E166 PolarHBondContact N-O 3.39Å; N157-E166 PolarHBondContact ND2-OE2 2.8Å; N157-E166 PolarHBondContact O-N 3.43Å; N157-M187 HydrophobicContact CB-CG 4.16Å; N157-M187 HydrophobicContact CB-SD 3.8Å; N157-Y189 WeakPolarHBondContact OD1-CD2 3.13Å
158Y97.7Very high95.5Very high4 Ų437.4 Ų37.42%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-128.3129.3171.8179.3-100.3000111.2V135 R138 C141 Y160 F163 M187 D188V135-Y158 HydrophobicContact CG2-CE2 3.88Å; R138-Y158 HydrophobicContact CB-CD1 3.9Å; R138-Y158 HydrophobicContact CB-CE1 3.75Å; R138-Y158 HydrophobicContact CB-CG 4.44Å; R138-Y158 HydrophobicContact CG-CD1 4.25Å; R138-Y158 PolarHBondContact N-OH 3.19Å; C141-Y158 HydrophobicContact CB-CD2 3.6Å; C141-Y158 HydrophobicContact CB-CE2 4.03Å; C141-Y158 HydrophobicContact CB-CG 4.43Å; Y158-Y160 HydrophobicContact CD1-CD1 4.07Å; Y158-Y160 HydrophobicContact CD1-CD2 4.38Å; Y158-Y160 HydrophobicContact CD1-CE1 4.06Å; Y158-Y160 HydrophobicContact CD1-CE2 4.39Å; Y158-Y160 HydrophobicContact CD1-CG 4.23Å; Y158-Y160 AromaticContact CE1-CD1 3.6Å; Y158-Y160 HydrophobicContact CE1-CD1 3.6Å; Y158-Y160 AromaticContact CE1-CE1 3.89Å; Y158-Y160 HydrophobicContact CE1-CE1 3.89Å; Y158-Y160 AromaticContact CE1-CG 3.97Å; Y158-Y160 HydrophobicContact CE1-CG 3.97Å; Y158-F163 VanDerWaalsContact OH-CD1 3.29Å; Y158-F163 WeakPolarHBondContact OH-CD1 3.46Å; Y158-M187 VanDerWaalsContact O-CA 3.31Å; Y158-M187 WeakPolarHBondContact O-CA 3.4Å; Y158-D188 PolarHBondContact N-O 2.79Å; Y158-D188 PolarHBondContact O-N 2.93Å
159N95.3Very high95.4Very high8 Ų837.8 Ų37.84%0.04320%0.195CC..EExtended strand (participates in β ladder)trans-106.4114.1180-174.6-40.8000111N161 T162 F163 F164 E185 A186 M187N159-N161 PolarHBondContact O-N 3.36Å; N159-N161 WeakPolarHBondContact OD1-CB 3.42Å; N159-N161 PolarHBondContact OD1-N 2.77Å; N159-T162 WeakPolarHBondContact CB-OG1 3.01Å; N159-T162 PolarHBondContact OD1-N 2.87Å; N159-T162 PolarHBondContact OD1-OG1 2.92Å; N159-F163 VanDerWaalsContact O-CA 3.32Å; N159-F163 WeakPolarHBondContact O-CA 3.21Å; N159-F163 PolarHBondContact O-N 2.03Å; N159-F164 PolarHBondContact N-O 2.8Å; N159-F164 VanDerWaalsContact N-O 3.08Å; N159-E185 PolarHBondContact ND2-OE2 2.96Å; N159-A186 CarbonylContact C-O 3.5Å; N159-A186 WeakPolarHBondContact CA-O 3.29Å; N159-M187 HydrophobicContact CB-CB 4.48Å; N159-M187 HydrophobicContact CB-CE 3.99Å
160Y93.6Very high95.5Very high51 Ų5133.1 Ų33.120%0.217%0.169CC..THydrogen-bonded Turntrans-69.2-15.3-176.3-65.1-86.5000114.4P79 R119 R138 Y158 A186 D188P79-Y160 HydrophobicContact CG-CD1 3.95Å; P79-Y160 HydrophobicContact CG-CE1 3.47Å; P79-Y160 VanDerWaalsContact CG-CE1 3.47Å; P79-Y160 HydrophobicContact CG-CE2 4.45Å; R119-Y160 PolarHBondContact NH2-OH 3.31Å; R138-Y160 HydrophobicContact CB-CE1 4.48Å; Y158-Y160 HydrophobicContact CD1-CD1 4.07Å; Y158-Y160 HydrophobicContact CD1-CD2 4.38Å; Y158-Y160 HydrophobicContact CD1-CE1 4.06Å; Y158-Y160 HydrophobicContact CD1-CE2 4.39Å; Y158-Y160 HydrophobicContact CD1-CG 4.23Å; Y158-Y160 AromaticContact CE1-CD1 3.6Å; Y158-Y160 HydrophobicContact CE1-CD1 3.6Å; Y158-Y160 AromaticContact CE1-CE1 3.89Å; Y158-Y160 HydrophobicContact CE1-CE1 3.89Å; Y158-Y160 AromaticContact CE1-CG 3.97Å; Y158-Y160 HydrophobicContact CE1-CG 3.97Å; Y160-A186 WeakPolarHBondContact CD2-O 2.96Å; Y160-A186 PolarHBondContact N-O 2.96Å; Y160-D188 HydrophobicContact CE2-CB 3.92Å; Y160-D188 PolarHBondContact OH-OD2 2.02Å
161N92.9Very high95.7Very high113 Ų11329.6 Ų29.660%0.60414%0.143SC*.THydrogen-bonded Turntrans-93.2-34.7-179.6-65.4-10.1000112.4N159N159-N161 PolarHBondContact O-N 3.36Å; N159-N161 WeakPolarHBondContact OD1-CB 3.42Å; N159-N161 PolarHBondContact OD1-N 2.77Å
162T94.3Very high95.8Very high54 Ų5429.6 Ų29.633%0.33114%0.143SC..THydrogen-bonded Turntrans-106.5-11.7-175.856.90000113.4Q134 N159 F164Q134-T162 PolarHBondContact NE2-O 2.91Å; N159-T162 WeakPolarHBondContact CB-OG1 3.01Å; N159-T162 PolarHBondContact OD1-N 2.87Å; N159-T162 PolarHBondContact OD1-OG1 2.92Å; T162-F164 HydrophobicContact CG2-CD2 4.45Å; T162-F164 PolarHBondContact O-N 2.87Å; T162-F164 WeakPolarHBondContact OG1-CD2 3.39Å
163F95.6Very high95.7Very high89 Ų8930.5 Ų30.539%0.3914%0.144SC..  trans59.420.5-175.1-52.2-98.9000113.8Q134 V135 G136 Y158 N159Q134-F163 WeakPolarHBondContact CA-O 3.32Å; Q134-F163 HydrophobicContact CG-CB 4.14Å; V135-F163 PolarHBondContact N-O 2.99Å; V135-F163 VanDerWaalsContact N-O 3.08Å; V135-F163 VanDerWaalsContact O-CB 3.27Å; V135-F163 WeakPolarHBondContact O-CB 3.42Å; G136-F163 WeakPolarHBondContact O-CD1 3.3Å; Y158-F163 VanDerWaalsContact OH-CD1 3.29Å; Y158-F163 WeakPolarHBondContact OH-CD1 3.46Å; N159-F163 VanDerWaalsContact O-CA 3.32Å; N159-F163 WeakPolarHBondContact O-CA 3.21Å; N159-F163 PolarHBondContact O-N 2.03Å
164F97Very high95.3Very high90 Ų9031 Ų3140%0.39515%0.148SC..EExtended strand (participates in β ladder)trans-73.7132171.2-77.7-57.5000111I133 Q134 N159 T162I133-F164 WeakPolarHBondContact O-CA 3.41Å; Q134-F164 HydrophobicContact CB-CD1 4.21Å; Q134-F164 HydrophobicContact CB-CE1 4.14Å; N159-F164 PolarHBondContact N-O 2.8Å; N159-F164 VanDerWaalsContact N-O 3.08Å; T162-F164 HydrophobicContact CG2-CD2 4.45Å; T162-F164 PolarHBondContact O-N 2.87Å; T162-F164 WeakPolarHBondContact OG1-CD2 3.39Å
165C98Very high95.1Very high0 Ų031.1 Ų31.10%015%0.149CC..EExtended strand (participates in β ladder)trans-111.9110.7173.8-174.50000108.4S132 I133 V135 C141S132-C165 WeakPolarHBondContact CA-O 3.22Å; I133-C165 HydrophobicContact CG1-CB 3.91Å; I133-C165 PolarHBondContact N-O 3.4Å; I133-C165 PolarHBondContact O-N 2.69Å; V135-C165 HydrophobicContact CG1-CB 4.39Å; V135-C165 HydrophobicContact CG2-CB 4.28Å; C141-C165 WeakPolarHBondContact CA-SG 3.43Å; C141-C165 HydrophobicContact CB-CB 3.58Å; C141-C165 WeakPolarHBondContact CB-SG 3.37Å; C141-C165 PolarHBondContact O-SG 2.88Å; C141-C165 VanDerWaalsContact SG-CA 3.52Å; C141-C165 WeakPolarHBondContact SG-CB 3.33Å; C141-C165 CovalentContact SG-SG 2.02Å; C141-C165 PolarHBondContact SG-SG 2.85Å
166E97.9Very high94.8Very high44 Ų4432.9 Ų32.921%0.20616%0.16CC..EExtended strand (participates in β ladder)trans-107.5112-179.3-54.4-175.7140.600109.5V129 V156 N157V129-E166 HydrophobicContact CB-CB 4.45Å; V129-E166 HydrophobicContact CG1-CB 3.8Å; V129-E166 HydrophobicContact CG1-CG 4.31Å; V129-E166 HydrophobicContact CG2-CB 3.82Å; V129-E166 HydrophobicContact CG2-CG 4.28Å; V156-E166 CarbonylContact C-O 3.59Å; V156-E166 VanDerWaalsContact CA-O 3.3Å; V156-E166 WeakPolarHBondContact CA-O 3.29Å; N157-E166 HydrophobicContact CB-CB 4.07Å; N157-E166 HydrophobicContact CB-CG 4.49Å; N157-E166 PolarHBondContact N-O 3.39Å; N157-E166 PolarHBondContact ND2-OE2 2.8Å; N157-E166 PolarHBondContact O-N 3.43Å
167M98.1Very high94.4Very high1 Ų135.3 Ų35.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-103.9142.7-173.3-59.6-174.2-61.700111.1R130 R131 I133 A144 C145 E148 F151 V156R130-M167 PolarHBondContact N-O 3.37Å; R131-M167 HydrophobicContact CB-CE 4.16Å; R131-M167 HydrophobicContact CG-CE 4.19Å; R131-M167 PolarHBondContact N-O 3.03Å; R131-M167 PolarHBondContact O-N 3.1Å; I133-M167 HydrophobicContact CD1-CE 4.31Å; A144-M167 VanDerWaalsContact C-SD 3.53Å; A144-M167 HydrophobicContact CB-CE 4.29Å; A144-M167 HydrophobicContact CB-SD 3.87Å; C145-M167 WeakPolarHBondContact CA-SD 3.33Å; C145-M167 HydrophobicContact CB-CG 4.44Å; C145-M167 HydrophobicContact CB-SD 3.91Å; C145-M167 PolarHBondContact N-SD 3.02Å; E148-M167 VanDerWaalsContact OE2-CE 3.27Å; E148-M167 WeakPolarHBondContact OE2-CE 3.34Å; F151-M167 HydrophobicContact CE2-CB 4.4Å; F151-M167 HydrophobicContact CZ-CB 3.92Å; V156-M167 HydrophobicContact CG2-CG 4.23Å
168S96.8Very high94.1Very high6 Ų639.8 Ų39.84%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-136.2144.1-170.4-170.40000113.2F128 C153 R154 S155 Q170F128-S168 WeakPolarHBondContact CB-OG 3.14Å; F128-S168 VanDerWaalsContact O-CB 3.24Å; F128-S168 WeakPolarHBondContact O-CB 3.27Å; F128-S168 PolarHBondContact O-OG 2.95Å; C153-S168 CarbonylContact C-O 3.51Å; C153-S168 WeakPolarHBondContact CA-O 3.42Å; R154-S168 PolarHBondContact N-O 3.49Å; S155-S168 PolarHBondContact N-O 2.88Å; S155-S168 PolarHBondContact O-N 2.93Å; S168-Q170 PolarHBondContact OG-N 3.05Å; S168-Q170 VanDerWaalsContact OG-N 3.09Å
169D93.9Very high94Very high29 Ų2941.3 Ų41.316%0.15520%0.197CC..SBendtrans-812.6167.370.1-49.1000113.1R130 F151 R154R130-D169 HydrophobicContact CG-CB 4.23Å; R130-D169 VanDerWaalsContact CG-OD1 3.27Å; R130-D169 WeakPolarHBondContact CG-OD1 3.42Å; R130-D169 IonicContact CZ-OD1 2.73Å; R130-D169 IonicContact CZ-OD2 2.87Å; R130-D169 IonicContact NE-OD1 3.96Å; R130-D169 PolarHBondContact NE-OD1 2.79Å; R130-D169 IonicContact NE-OD2 3.35Å; R130-D169 PolarHBondContact NE-OD2 2.76Å; R130-D169 IonicContact NH2-OD1 2.69Å; R130-D169 PolarHBondContact NH2-OD1 3.06Å; R130-D169 IonicContact NH2-OD2 3.6Å; R130-D169 PolarHBondContact NH2-OD2 2.94Å; F151-D169 HydrophobicContact CD2-CB 3.96Å; R154-D169 WeakPolarHBondContact CD-O 3.28Å
170Q93.1Very high94Very high32 Ų3246.2 Ų46.215%0.1521%0.214CC..  trans-115.5167.2179.5-58.4-57-48.700110.7L125 F128 S155 S168 S174 K175L125-Q170 HydrophobicContact CD2-CB 4.08Å; F128-Q170 HydrophobicContact CB-CB 4Å; F128-Q170 HydrophobicContact CB-CG 3.92Å; F128-Q170 HydrophobicContact CD1-CB 4.47Å; F128-Q170 HydrophobicContact CD1-CG 3.72Å; F128-Q170 HydrophobicContact CG-CB 4.16Å; F128-Q170 HydrophobicContact CG-CG 3.89Å; S155-Q170 WeakPolarHBondContact CB-O 3.33Å; S155-Q170 PolarHBondContact N-O 2.88Å; S155-Q170 PolarHBondContact OG-O 2.93Å; S168-Q170 PolarHBondContact OG-N 3.05Å; S168-Q170 VanDerWaalsContact OG-N 3.09Å; Q170-S174 PolarHBondContact OE1-OG 3.23Å; Q170-K175 HydrophobicContact CB-CG 3.98Å; Q170-K175 HydrophobicContact CG-CG 4.05Å
171D94.3Very high93.9Very high7 Ų749.8 Ų49.84%0.03723%0.231CC..  trans-141.4175.7172.165.337.9000112.5R154 R173 S174 K175 Y189R154-D171 HydrophobicContact CB-CB 4.42Å; R154-D171 IonicContact CZ-OD2 3.83Å; R154-D171 VanDerWaalsContact CZ-OD2 3.3Å; R154-D171 IonicContact NE-OD2 3.75Å; R154-D171 PolarHBondContact NE-OD2 3.44Å; R154-D171 VanDerWaalsContact NE-OD2 3.11Å; R154-D171 IonicContact NH2-OD1 2.74Å; R154-D171 IonicContact NH2-OD2 2.66Å; R154-D171 PolarHBondContact NH2-OD2 3.35Å; D171-R173 PolarHBondContact O-N 3.29Å; D171-R173 WeakPolarHBondContact OD1-CA 3.43Å; D171-R173 VanDerWaalsContact OD1-CB 3.3Å; D171-R173 WeakPolarHBondContact OD1-CB 3.4Å; D171-R173 PolarHBondContact OD1-N 2.66Å; D171-S174 PolarHBondContact N-OG 2.83Å; D171-S174 PolarHBondContact O-N 2.86Å; D171-S174 VanDerWaalsContact O-N 3.15Å; D171-S174 PolarHBondContact O-OG 3.36Å; D171-S174 PolarHBondContact OD1-N 3.25Å; D171-K175 PolarHBondContact O-N 2.83Å; D171-Y189 VanDerWaalsContact CA-OH 3.23Å; D171-Y189 WeakPolarHBondContact CA-OH 3.41Å
172R93.9Very high93.7Very high27 Ų2745.3 Ų45.310%0.10221%0.208CC..THydrogen-bonded Turntrans-62.8-9.2179.868-176.5162.615113.1114.4E118 P176 M179 Y189 D191 F266E118-R172 IonicContact OE1-CZ 2.73Å; E118-R172 IonicContact OE1-NH1 3.56Å; E118-R172 PolarHBondContact OE1-NH1 2.8Å; E118-R172 IonicContact OE1-NH2 3.69Å; E118-R172 PolarHBondContact OE1-NH2 3.44Å; E118-R172 IonicContact OE2-CZ 3.97Å; E118-R172 IonicContact OE2-NH2 3.19Å; E118-R172 PolarHBondContact OE2-NH2 2.88Å; R172-P176 VanDerWaalsContact O-CA 3.22Å; R172-P176 WeakPolarHBondContact O-CA 3.17Å; R172-P176 VanDerWaalsContact O-CB 3.31Å; R172-P176 WeakPolarHBondContact O-CB 3.06Å; R172-M179 HydrophobicContact CB-CG 4.33Å; R172-M179 HydrophobicContact CB-SD 4.38Å; R172-Y189 HydrophobicContact CB-CE1 3.95Å; R172-Y189 HydrophobicContact CG-CE1 4.07Å; R172-Y189 PolarHBondContact N-OH 2.93Å; R172-D191 WeakPolarHBondContact CG-OD1 3.49Å; R172-D191 IonicContact CZ-OD2 3.5Å; R172-D191 VanDerWaalsContact NE-CG 3.27Å; R172-D191 IonicContact NE-OD1 3.68Å; R172-D191 PolarHBondContact NE-OD1 2.57Å; R172-D191 IonicContact NE-OD2 3.54Å; R172-D191 PolarHBondContact NE-OD2 2.73Å; R172-D191 IonicContact NH2-OD2 2.76Å; R172-D191 PolarHBondContact NH2-OD2 2.75Å; R172-F266 HydrophobicContact CG-CE1 4.06Å; R172-F266 HydrophobicContact CG-CZ 4.21Å; R172-F266 WeakPolarHBondContact O-CZ 3.29Å
173R91.6Very high93Very high39 Ų3950.2 Ų50.215%0.14723%0.228CC..THydrogen-bonded Turntrans-97.9-33.9173.6-64.4170.1168.779.9-0.3112.1D171 P176 D191 R247 D264 F266D171-R173 PolarHBondContact O-N 3.29Å; D171-R173 WeakPolarHBondContact OD1-CA 3.43Å; D171-R173 VanDerWaalsContact OD1-CB 3.3Å; D171-R173 WeakPolarHBondContact OD1-CB 3.4Å; D171-R173 PolarHBondContact OD1-N 2.66Å; R173-P176 WeakPolarHBondContact O-CD 3.33Å; R173-D191 IonicContact NH1-OD2 2.76Å; R173-D191 PolarHBondContact NH1-OD2 3.29Å; R173-R247 VanDerWaalsContact NH1-CZ 3.32Å; R173-R247 VanDerWaalsContact NH2-CD 3.35Å; R173-D264 IonicContact CZ-OD1 3.33Å; R173-D264 IonicContact CZ-OD2 2.69Å; R173-D264 VanDerWaalsContact CZ-OD2 3.31Å; R173-D264 IonicContact NE-OD1 3.24Å; R173-D264 IonicContact NE-OD2 3.45Å; R173-D264 PolarHBondContact NE-OD2 3.42Å; R173-D264 IonicContact NH2-OD1 3.41Å; R173-D264 PolarHBondContact NH2-OD1 2.73Å; R173-D264 IonicContact NH2-OD2 3.56Å; R173-D264 PolarHBondContact NH2-OD2 3Å; R173-D264 VanDerWaalsContact NH2-OD2 3.12Å; R173-F266 HydrophobicContact CG-CD1 3.73Å; R173-F266 HydrophobicContact CG-CE1 3.87Å; R173-F266 HydrophobicContact CG-CG 4.07Å; R173-F266 HydrophobicContact CG-CZ 4.32Å
174S88.5Confident92.1Very high15 Ų1554.3 Ų54.311%0.10525%0.254CS..THydrogen-bonded Turntrans-77.8-26.2173.875.60000113.1Q170 D171 T323Q170-S174 PolarHBondContact OE1-OG 3.23Å; D171-S174 PolarHBondContact N-OG 2.83Å; D171-S174 PolarHBondContact O-N 2.86Å; D171-S174 VanDerWaalsContact O-N 3.15Å; D171-S174 PolarHBondContact O-OG 3.36Å; D171-S174 PolarHBondContact OD1-N 3.25Å; S174-T323 WeakPolarHBondContact O-CG2 3.45Å
175K90.7Very high91.3Very high37 Ų3754.2 Ų54.216%0.16126%0.255CS..SBendtrans-137.650.4-179.8-58.3-63.8158.6-116.90113.6L125 F128 Q170 D171 Q177 Y178L125-K175 HydrophobicContact CD1-CB 4.05Å; F128-K175 HydrophobicContact CD1-CG 4.28Å; F128-K175 HydrophobicContact CD2-CB 4.16Å; F128-K175 HydrophobicContact CD2-CG 4.05Å; F128-K175 HydrophobicContact CE1-CD 3.87Å; F128-K175 HydrophobicContact CE1-CG 4.01Å; F128-K175 HydrophobicContact CE2-CB 3.88Å; F128-K175 HydrophobicContact CE2-CD 4.12Å; F128-K175 HydrophobicContact CE2-CG 3.8Å; F128-K175 HydrophobicContact CG-CG 4.3Å; F128-K175 HydrophobicContact CZ-CB 4.3Å; F128-K175 HydrophobicContact CZ-CD 3.63Å; F128-K175 HydrophobicContact CZ-CG 3.79Å; Q170-K175 HydrophobicContact CB-CG 3.98Å; Q170-K175 HydrophobicContact CG-CG 4.05Å; D171-K175 PolarHBondContact O-N 2.83Å; K175-Q177 VanDerWaalsContact C-N 3.26Å; K175-Q177 PolarHBondContact O-N 2.84Å; K175-Q177 VanDerWaalsContact O-N 3.16Å; K175-Y178 HydrophobicContact CB-CD2 4.11Å; K175-Y178 PolarHBondContact O-N 2.81Å
176P91Very high90.9Very high38 Ų3856.1 Ų56.125%0.24727%0.27CS..G310 helixtrans-56.5-35.8-174.123.1-34.5000114R172 R173 Y178 M179 F266 T323R172-P176 VanDerWaalsContact O-CA 3.22Å; R172-P176 WeakPolarHBondContact O-CA 3.17Å; R172-P176 VanDerWaalsContact O-CB 3.31Å; R172-P176 WeakPolarHBondContact O-CB 3.06Å; R173-P176 WeakPolarHBondContact O-CD 3.33Å; P176-Y178 PolarHBondContact O-N 2.86Å; P176-Y178 VanDerWaalsContact O-N 3.14Å; P176-M179 WeakPolarHBondContact O-CB 3.38Å; P176-M179 PolarHBondContact O-N 3.48Å; P176-M179 VanDerWaalsContact O-N 3.12Å; P176-F266 HydrophobicContact CB-CE2 4.16Å; P176-T323 HydrophobicContact CG-CG2 4.38Å
177Q89.5Confident90.6Very high52 Ų5254.3 Ų54.324%0.24326%0.262CS..G310 helixtrans-67.7-8.2178.971.4-78.120.900114.4K175 R180 G321 L347K175-Q177 VanDerWaalsContact C-N 3.26Å; K175-Q177 PolarHBondContact O-N 2.84Å; K175-Q177 VanDerWaalsContact O-N 3.16Å; Q177-R180 VanDerWaalsContact O-CZ 3.22Å; Q177-R180 PolarHBondContact O-NH1 2.87Å; Q177-R180 PolarHBondContact O-NH2 2.86Å; Q177-G321 PolarHBondContact NE2-O 2.97Å; Q177-G321 VanDerWaalsContact NE2-O 3.14Å; Q177-L347 HydrophobicContact CB-CD1 3.78Å; Q177-L347 HydrophobicContact CG-CD1 4.16Å
178Y93.2Very high90.5Very high100 Ų10054.6 Ų54.639%0.39226%0.263SS..G310 helixtrans-110.3-1.1174.7-63.5-90.5000113.5E126 F128 K175 P176 R180E126-Y178 PolarHBondContact N-O 3.04Å; E126-Y178 VanDerWaalsContact N-O 3.07Å; F128-Y178 AromaticContact CE2-CD1 3.95Å; F128-Y178 HydrophobicContact CE2-CD1 3.95Å; F128-Y178 AromaticContact CE2-CD2 3.52Å; F128-Y178 HydrophobicContact CE2-CD2 3.52Å; F128-Y178 HydrophobicContact CE2-CE1 4.36Å; F128-Y178 AromaticContact CE2-CE2 3.97Å; F128-Y178 HydrophobicContact CE2-CE2 3.97Å; F128-Y178 AromaticContact CE2-CG 3.5Å; F128-Y178 HydrophobicContact CE2-CG 3.5Å; F128-Y178 AromaticContact CZ-CD2 3.85Å; F128-Y178 HydrophobicContact CZ-CD2 3.85Å; F128-Y178 HydrophobicContact CZ-CE1 4.5Å; F128-Y178 AromaticContact CZ-CE2 3.82Å; F128-Y178 HydrophobicContact CZ-CE2 3.82Å; F128-Y178 HydrophobicContact CZ-CG 4.2Å; K175-Y178 HydrophobicContact CB-CD2 4.11Å; K175-Y178 PolarHBondContact O-N 2.81Å; P176-Y178 PolarHBondContact O-N 2.86Å; P176-Y178 VanDerWaalsContact O-N 3.14Å; Y178-R180 PolarHBondContact O-N 2.04Å
179M94.8Very high90.6Very high36 Ų3654.3 Ų54.318%0.17726%0.261CS..EExtended strand (participates in β ladder)trans-70.1129168.5-17357166.100109.2T120 R124 R172 P176 Y189T120-M179 HydrophobicContact CG2-CE 3.64Å; R124-M179 VanDerWaalsContact O-SD 3.37Å; R172-M179 HydrophobicContact CB-CG 4.33Å; R172-M179 HydrophobicContact CB-SD 4.38Å; P176-M179 WeakPolarHBondContact O-CB 3.38Å; P176-M179 PolarHBondContact O-N 3.48Å; P176-M179 VanDerWaalsContact O-N 3.12Å; M179-Y189 HydrophobicContact CE-CD1 3.37Å; M179-Y189 HydrophobicContact CE-CE1 3.97Å; M179-Y189 HydrophobicContact CE-CG 3.74Å; M179-Y189 HydrophobicContact SD-CD1 4.1Å; M179-Y189 HydrophobicContact SD-CE1 4.34Å; M179-Y189 HydrophobicContact SD-CG 4.18Å
180R94.4Very high90.8Very high110 Ų11052.9 Ų52.942%0.41525%0.254SS..EExtended strand (participates in β ladder)trans-130.7163.9-178.8-69.6-63.4177.8-90.1-8.2112.4S123 R124 E126 Q177 Y178S123-R180 WeakPolarHBondContact CA-O 3.37Å; S123-R180 VanDerWaalsContact CB-O 3.26Å; S123-R180 WeakPolarHBondContact CB-O 3.32Å; S123-R180 PolarHBondContact OG-O 2.93Å; R124-R180 PolarHBondContact N-O 2.85Å; R124-R180 VanDerWaalsContact N-O 3.13Å; R124-R180 PolarHBondContact O-N 2.96Å; E126-R180 HydrophobicContact CG-CB 4.29Å; E126-R180 HydrophobicContact CG-CG 3.97Å; E126-R180 WeakPolarHBondContact OE1-CG 3.35Å; E126-R180 WeakPolarHBondContact OE2-CG 3.44Å; Q177-R180 VanDerWaalsContact O-CZ 3.22Å; Q177-R180 PolarHBondContact O-NH1 2.87Å; Q177-R180 PolarHBondContact O-NH2 2.86Å; Y178-R180 PolarHBondContact O-N 2.04Å
181K93.3Very high91Very high127 Ų12751.4 Ų51.455%0.55225%0.247SC*.EExtended strand (participates in β ladder)trans-86.3127.5164.2-77.9-76.7155.9-135.90108.1R121 S122 S123 Q183R121-K181 PolarHBondContact O-NZ 3.49Å; S122-K181 CarbonylContact O-C 3.58Å; S122-K181 WeakPolarHBondContact O-CA 3.39Å; S122-K181 WeakPolarHBondContact O-CD 3.34Å; S123-K181 PolarHBondContact OG-NZ 2.85Å; K181-Q183 PolarHBondContact O-N 3Å
182S87.4Confident91.1Very high18 Ų1851.4 Ų51.413%0.12625%0.247CC..PPolyproline II helixtrans-66.8117.9173.9-173.90000108.7S122 E185S122-S182 PolarHBondContact O-N 2.89Å; S182-E185 WeakPolarHBondContact OG-CB 3.45Å; S182-E185 PolarHBondContact OG-O 2.77Å
183Q80.3Confident91.1Very high158 Ų15850.2 Ų50.274%0.73824%0.243SC*.SBendtrans-102129173.4-65.5-173.5-2.700108.3K181 E185K181-Q183 PolarHBondContact O-N 3Å; Q183-E185 PolarHBondContact O-N 3.21Å
184N76Confident91.2Very high174 Ų17449.1 Ų49.193%0.9324%0.24SC*.SBendtrans62.8-13.7179.3-50.9-32.9000117
185E79.7Confident91.3Very high89 Ų8948.7 Ų48.742%0.41624%0.237SC..SBendtrans-97.8135.4171.6-69.6-179.9-140.300112.4N159 S182 Q183 M187N159-E185 PolarHBondContact ND2-OE2 2.96Å; S182-E185 WeakPolarHBondContact OG-CB 3.45Å; S182-E185 PolarHBondContact OG-O 2.77Å; Q183-E185 PolarHBondContact O-N 3.21Å; E185-M187 HydrophobicContact CB-CB 4.41Å; E185-M187 PolarHBondContact O-N 3.3Å; E185-M187 WeakPolarHBondContact OE2-CE 3.45Å
186A89.6Confident90.9Very high39 Ų3949.2 Ų49.232%0.32225%0.245SC..  trans-77.469.4170.700000110.3N159 Y160N159-A186 CarbonylContact C-O 3.5Å; N159-A186 WeakPolarHBondContact CA-O 3.29Å; Y160-A186 WeakPolarHBondContact CD2-O 2.96Å; Y160-A186 PolarHBondContact N-O 2.96Å
187M93.3Very high90.4Very high6 Ų651 Ų513%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-118.5128.6-178-172.7-178.8-80.100111.1S122 S123 R124 N157 Y158 N159 E185S122-M187 CarbonylContact C-O 3.54Å; S122-M187 VanDerWaalsContact CA-O 3.23Å; S122-M187 WeakPolarHBondContact CA-O 3.12Å; S123-M187 PolarHBondContact N-O 2.81Å; R124-M187 HydrophobicContact CB-CG 4.28Å; R124-M187 HydrophobicContact CB-SD 3.43Å; R124-M187 WeakPolarHBondContact CB-SD 3.19Å; R124-M187 VanDerWaalsContact CD-SD 3.58Å; R124-M187 HydrophobicContact CG-SD 4.15Å; N157-M187 HydrophobicContact CB-CG 4.16Å; N157-M187 HydrophobicContact CB-SD 3.8Å; Y158-M187 VanDerWaalsContact O-CA 3.31Å; Y158-M187 WeakPolarHBondContact O-CA 3.4Å; N159-M187 HydrophobicContact CB-CB 4.48Å; N159-M187 HydrophobicContact CB-CE 3.99Å; E185-M187 HydrophobicContact CB-CB 4.41Å; E185-M187 PolarHBondContact O-N 3.3Å; E185-M187 WeakPolarHBondContact OE2-CE 3.45Å
188D96.1Very high89.7Confident7 Ų754.8 Ų54.84%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-112.7151.8172.9-81.9-3.4000110.4R119 R121 S122 S123 Y158 Y160 F190R119-D188 IonicContact CZ-OD2 3.29Å; R119-D188 IonicContact NE-OD2 2.76Å; R119-D188 PolarHBondContact NE-OD2 3.07Å; R119-D188 IonicContact NH2-OD2 2.73Å; R119-D188 PolarHBondContact NH2-OD2 2.84Å; R121-D188 VanDerWaalsContact CA-OD1 3.25Å; R121-D188 WeakPolarHBondContact CA-OD1 3.37Å; S122-D188 PolarHBondContact N-OD1 2.96Å; S123-D188 CarbonylContact O-C 3.57Å; S123-D188 VanDerWaalsContact O-C 3.31Å; Y158-D188 PolarHBondContact N-O 2.79Å; Y158-D188 PolarHBondContact O-N 2.93Å; Y160-D188 HydrophobicContact CE2-CB 3.92Å; Y160-D188 PolarHBondContact OH-OD2 2.02Å; D188-F190 HydrophobicContact CB-CE2 3.68Å; D188-F190 HydrophobicContact CB-CZ 3.94Å
189Y97.9Very high89.3Confident0 Ų052.4 Ų52.40%026%0.259CS..EExtended strand (participates in β ladder)trans-111.3143.5179.7175.2-101.5000111.4R119 T120 S123 L125 S155 V156 N157 D171 R172 M179 D191R119-Y189 CarbonylContact C-O 3.56Å; R119-Y189 WeakPolarHBondContact CA-O 3.36Å; T120-Y189 PolarHBondContact N-O 2.66Å; T120-Y189 PolarHBondContact O-N 2.68Å; T120-Y189 VanDerWaalsContact O-N 3.1Å; S123-Y189 WeakPolarHBondContact O-CB 3.31Å; S123-Y189 PolarHBondContact O-N 2.74Å; L125-Y189 HydrophobicContact CB-CD2 4.05Å; L125-Y189 HydrophobicContact CB-CE2 3.55Å; L125-Y189 HydrophobicContact CD2-CE2 4.31Å; S155-Y189 VanDerWaalsContact CB-CE2 3.5Å; S155-Y189 VanDerWaalsContact CB-CZ 3.42Å; S155-Y189 WeakPolarHBondContact CB-OH 3Å; S155-Y189 VanDerWaalsContact OG-CE2 3.31Å; S155-Y189 WeakPolarHBondContact OG-CE2 3.36Å; S155-Y189 PolarHBondContact OG-OH 3.05Å; V156-Y189 CarbonylContact O-C 3.58Å; V156-Y189 WeakPolarHBondContact O-CA 3.26Å; V156-Y189 WeakPolarHBondContact O-CD2 3.36Å; N157-Y189 WeakPolarHBondContact OD1-CD2 3.13Å; D171-Y189 VanDerWaalsContact CA-OH 3.23Å; D171-Y189 WeakPolarHBondContact CA-OH 3.41Å; R172-Y189 HydrophobicContact CB-CE1 3.95Å; R172-Y189 HydrophobicContact CG-CE1 4.07Å; R172-Y189 PolarHBondContact N-OH 2.93Å; M179-Y189 HydrophobicContact CE-CD1 3.37Å; M179-Y189 HydrophobicContact CE-CE1 3.97Å; M179-Y189 HydrophobicContact CE-CG 3.74Å; M179-Y189 HydrophobicContact SD-CD1 4.1Å; M179-Y189 HydrophobicContact SD-CE1 4.34Å; M179-Y189 HydrophobicContact SD-CG 4.18Å; Y189-D191 VanDerWaalsContact CE1-OD1 3.29Å; Y189-D191 WeakPolarHBondContact CE1-OD1 3.33Å; Y189-D191 PolarHBondContact OH-OD1 3.24Å
190F98.3Very high89Confident0 Ų051.7 Ų51.70%025%0.254CS..EExtended strand (participates in β ladder)trans-133.7119.4-177.3-56.4-103.2000111.4I18 F117 E118 R119 R138 L142 S155 V156 D188I18-F190 HydrophobicContact CD1-CE1 4.19Å; I18-F190 HydrophobicContact CG2-CD1 4.24Å; I18-F190 HydrophobicContact CG2-CE1 4.14Å; F117-F190 HydrophobicContact CB-CD1 4.43Å; F117-F190 HydrophobicContact CD1-CB 4.07Å; E118-F190 WeakPolarHBondContact O-CA 3.3Å; R119-F190 HydrophobicContact CB-CD1 3.75Å; R119-F190 HydrophobicContact CB-CE1 3.66Å; R119-F190 HydrophobicContact CB-CZ 4.46Å; R119-F190 HydrophobicContact CG-CD1 4.1Å; R119-F190 HydrophobicContact CG-CE1 3.56Å; R119-F190 HydrophobicContact CG-CZ 3.91Å; R138-F190 HydrophobicContact CG-CZ 4.07Å; L142-F190 HydrophobicContact CD1-CD1 4.31Å; L142-F190 HydrophobicContact CD1-CE1 4.31Å; L142-F190 HydrophobicContact CD2-CB 3.96Å; L142-F190 HydrophobicContact CD2-CD1 3.89Å; L142-F190 HydrophobicContact CD2-CD2 4.3Å; L142-F190 HydrophobicContact CD2-CE1 4.48Å; L142-F190 HydrophobicContact CD2-CG 3.8Å; S155-F190 CarbonylContact C-O 3.55Å; S155-F190 WeakPolarHBondContact CA-O 3.3Å; S155-F190 WeakPolarHBondContact CB-O 3.36Å; V156-F190 HydrophobicContact CB-CB 4.37Å; V156-F190 PolarHBondContact N-O 2.03Å; V156-F190 PolarHBondContact O-N 3.17Å; D188-F190 HydrophobicContact CB-CE2 3.68Å; D188-F190 HydrophobicContact CB-CZ 3.94Å
191D97.3Very high88.3Confident1 Ų147.5 Ų47.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-72131.5163.3-84.73.8000108.7F117 E118 R172 R173 Y189 N193 R247F117-D191 VanDerWaalsContact CA-O 3.28Å; F117-D191 WeakPolarHBondContact CA-O 3.4Å; F117-D191 WeakPolarHBondContact CD1-O 3.48Å; E118-D191 HydrophobicContact CB-CB 4.3Å; E118-D191 PolarHBondContact N-O 3.03Å; E118-D191 PolarHBondContact O-N 2.83Å; R172-D191 WeakPolarHBondContact CG-OD1 3.49Å; R172-D191 IonicContact CZ-OD2 3.5Å; R172-D191 VanDerWaalsContact NE-CG 3.27Å; R172-D191 IonicContact NE-OD1 3.68Å; R172-D191 PolarHBondContact NE-OD1 2.57Å; R172-D191 IonicContact NE-OD2 3.54Å; R172-D191 PolarHBondContact NE-OD2 2.73Å; R172-D191 IonicContact NH2-OD2 2.76Å; R172-D191 PolarHBondContact NH2-OD2 2.75Å; R173-D191 IonicContact NH1-OD2 2.76Å; R173-D191 PolarHBondContact NH1-OD2 3.29Å; Y189-D191 VanDerWaalsContact CE1-OD1 3.29Å; Y189-D191 WeakPolarHBondContact CE1-OD1 3.33Å; Y189-D191 PolarHBondContact OH-OD1 3.24Å; D191-N193 PolarHBondContact O-N 2.72Å; D191-R247 IonicContact OD2-NH2 2.66Å
192N96.8Very high87.4Confident7 Ų742.3 Ų42.34%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-79114167-1776.2000109.9F117 C153 R154 C194 L195F117-N192 HydrophobicContact CD1-CB 4.26Å; F117-N192 HydrophobicContact CE1-CB 3.83Å; C153-N192 PolarHBondContact O-ND2 2.82Å; R154-N192 WeakPolarHBondContact O-CB 3.13Å; R154-N192 PolarHBondContact O-N 2.86Å; N192-C194 WeakPolarHBondContact OD1-CA 3.35Å; N192-C194 WeakPolarHBondContact OD1-CB 3.36Å; N192-C194 PolarHBondContact OD1-N 2.7Å; N192-L195 WeakPolarHBondContact O-CD1 3.5Å
193N94.6Very high86.1Confident2 Ų248 Ų481%0.01125%0.248CC..  trans-992.1175.7-70.3-9.9000112.4R113 H115 T116 D191 L195 F245 R247R113-N193 PolarHBondContact NH1-O 2.79Å; H115-N193 PolarHBondContact CD2-ND2 2.89Å; H115-N193 PolarHBondContact NE2-ND2 2.85Å; T116-N193 WeakPolarHBondContact O-CA 3.28Å; T116-N193 WeakPolarHBondContact O-CB 3.05Å; T116-N193 PolarHBondContact O-N 2.82Å; D191-N193 PolarHBondContact O-N 2.72Å; N193-L195 VanDerWaalsContact C-N 3.29Å; N193-L195 PolarHBondContact O-N 3.44Å; N193-F245 HydrophobicContact CB-CB 4.48Å; N193-F245 HydrophobicContact CB-CD1 4.37Å; N193-R247 PolarHBondContact OD1-NH2 3.31Å
194C93.2Very high84.7Confident15 Ų1548.8 Ų48.810%0.10126%0.256CS..  trans-91.256.8171-173.20000112.2Q108 C110 T116 L146 N192Q108-C194 PolarHBondContact O-SG 3.47Å; C110-C194 HydrophobicContact CB-CB 3.64Å; C110-C194 WeakPolarHBondContact CB-SG 3.47Å; C110-C194 PolarHBondContact N-SG 2.93Å; C110-C194 WeakPolarHBondContact SG-CA 3.41Å; C110-C194 WeakPolarHBondContact SG-CB 3.34Å; C110-C194 CovalentContact SG-SG 2.03Å; C110-C194 PolarHBondContact SG-SG 3.44Å; T116-C194 HydrophobicContact CG2-CB 3.95Å; T116-C194 PolarHBondContact O-N 2.94Å; L146-C194 HydrophobicContact CD2-CB 3.76Å; N192-C194 WeakPolarHBondContact OD1-CA 3.35Å; N192-C194 WeakPolarHBondContact OD1-CB 3.36Å; N192-C194 PolarHBondContact OD1-N 2.7Å
195L90Very high83.6Confident7 Ų742.1 Ų42.14%0.03723%0.229CC..  trans-111.1147.2174.7-60.6169.6000110.4R113 V152 R154 N192 N193 N199 R200 F245R113-L195 PolarHBondContact NH1-O 2.88Å; V152-L195 HydrophobicContact CG1-CD2 3.6Å; R154-L195 HydrophobicContact CG-CD1 3.91Å; N192-L195 WeakPolarHBondContact O-CD1 3.5Å; N193-L195 VanDerWaalsContact C-N 3.29Å; N193-L195 PolarHBondContact O-N 3.44Å; L195-N199 WeakPolarHBondContact CA-OD1 3.41Å; L195-N199 WeakPolarHBondContact CB-OD1 3.39Å; L195-R200 HydrophobicContact CB-CB 4.01Å; L195-F245 HydrophobicContact CB-CD2 4.43Å; L195-F245 HydrophobicContact CB-CE2 3.57Å; L195-F245 HydrophobicContact CB-CZ 3.83Å; L195-F245 HydrophobicContact CD1-CZ 4.09Å; L195-F245 WeakPolarHBondContact O-CD2 3.4Å; L195-F245 WeakPolarHBondContact O-CE2 3.48Å
196S82.2Confident82.5Confident47 Ų4739.1 Ų39.133%0.32922%0.221SC..  trans-97.8171.2177.273.20000111.3Q198 N199 R200S196-Q198 PolarHBondContact O-N 2.93Å; S196-Q198 PolarHBondContact OG-N 2.81Å; S196-Q198 PolarHBondContact OG-OE1 3.11Å; S196-N199 PolarHBondContact N-OD1 2.91Å; S196-N199 PolarHBondContact O-N 3.27Å; S196-N199 PolarHBondContact O-OD1 3.41Å; S196-N199 PolarHBondContact OG-N 2.93Å; S196-N199 PolarHBondContact OG-OD1 3.23Å; S196-R200 VanDerWaalsContact O-CB 3.24Å; S196-R200 WeakPolarHBondContact O-CB 3.1Å; S196-R200 WeakPolarHBondContact O-CG 3.05Å; S196-R200 PolarHBondContact O-N 2.96Å
197R80.2Confident81.4Confident77 Ų7738.9 Ų38.929%0.29121%0.214SC..THydrogen-bonded Turntrans-53-38.9171.6179.5172180158.93.1112.7L208 Q236 L239 D240R197-L208 HydrophobicContact CG-CD1 4.32Å; R197-Q236 VanDerWaalsContact CZ-OE1 3.3Å; R197-L239 HydrophobicContact CG-CB 4.16Å; R197-D240 WeakPolarHBondContact CD-OD1 3.46Å; R197-D240 IonicContact CZ-OD1 3.04Å; R197-D240 IonicContact NE-OD1 2.78Å; R197-D240 IonicContact NH1-OD1 3.71Å; R197-D240 PolarHBondContact NH1-OD1 3.11Å; R197-D240 IonicContact NH1-OD2 2.71Å; R197-D240 PolarHBondContact NH1-OD2 3.47Å
198Q75.9Confident80.8Confident130 Ų13039.8 Ų39.861%0.60722%0.219SC*.THydrogen-bonded Turntrans-78.6-38.4-174.3-64.4741700112.5S196 G205S196-Q198 PolarHBondContact O-N 2.93Å; S196-Q198 PolarHBondContact OG-N 2.81Å; S196-Q198 PolarHBondContact OG-OE1 3.11Å; Q198-G205 VanDerWaalsContact O-CA 3.24Å; Q198-G205 WeakPolarHBondContact O-CA 3.46Å
199N84.2Confident80.3Confident51 Ų5139.5 Ų39.527%0.27322%0.218SC..THydrogen-bonded Turntrans-99.1-16.8-172.977.11.2000114.4V152 L195 S196 C201 G202V152-N199 HydrophobicContact CG1-CB 3.88Å; V152-N199 WeakPolarHBondContact CG1-O 3.11Å; V152-N199 HydrophobicContact CG2-CB 3.84Å; L195-N199 WeakPolarHBondContact CA-OD1 3.41Å; L195-N199 WeakPolarHBondContact CB-OD1 3.39Å; S196-N199 PolarHBondContact N-OD1 2.91Å; S196-N199 PolarHBondContact O-N 3.27Å; S196-N199 PolarHBondContact O-OD1 3.41Å; S196-N199 PolarHBondContact OG-N 2.93Å; S196-N199 PolarHBondContact OG-OD1 3.23Å; N199-C201 PolarHBondContact O-N 2.93Å; N199-G202 PolarHBondContact O-N 3.46Å
200R87.8Confident80Confident21 Ų2140 Ų408%0.07922%0.22CC..THydrogen-bonded Turntrans-59.3-20.6-174.472.8-168.3-43.7-153.97.5115.6L195 S196 L208 F245 C246L195-R200 HydrophobicContact CB-CB 4.01Å; S196-R200 VanDerWaalsContact O-CB 3.24Å; S196-R200 WeakPolarHBondContact O-CB 3.1Å; S196-R200 WeakPolarHBondContact O-CG 3.05Å; S196-R200 PolarHBondContact O-N 2.96Å; R200-L208 HydrophobicContact CG-CD1 4.41Å; R200-F245 HydrophobicContact CB-CE2 4.19Å; R200-F245 HydrophobicContact CB-CZ 4.19Å; R200-C246 PolarHBondContact NH1-O 3.36Å; R200-C246 PolarHBondContact NH2-O 3.17Å
201C80.7Confident79.8Confident21 Ų2140.1 Ų40.114%0.14222%0.22CC..THydrogen-bonded Turntrans-104.719.4176.4-60.20000113.7N199 G206 L208 C287N199-C201 PolarHBondContact O-N 2.93Å; C201-G206 VanDerWaalsContact CB-O 3.25Å; C201-G206 WeakPolarHBondContact CB-O 3.08Å; C201-G206 PolarHBondContact SG-O 3.41Å; C201-L208 WeakPolarHBondContact SG-CD2 3.39Å; C201-C287 WeakPolarHBondContact CA-SG 3.45Å; C201-C287 HydrophobicContact CB-CB 3.74Å; C201-C287 WeakPolarHBondContact CB-SG 3.19Å; C201-C287 VanDerWaalsContact SG-CA 3.59Å; C201-C287 WeakPolarHBondContact SG-CB 3.33Å; C201-C287 CovalentContact SG-SG 2.04Å; C201-C287 PolarHBondContact SG-SG 2.73Å
202G74.2Confident79.6Confident19 Ų1941.6 Ų41.620%0.19623%0.227CC..  trans96.8174.9-179.100000113.6N199 I204 G205N199-G202 PolarHBondContact O-N 3.46Å; G202-I204 VanDerWaalsContact C-N 3.31Å; G202-I204 PolarHBondContact O-N 2.96Å; G202-G205 PolarHBondContact O-N 3.41Å
203H60Low79.5Confident137 Ų13741.5 Ų41.563%0.63423%0.227SC*.THydrogen-bonded Turntrans-63.8-28.5-166.5-164.7-76.6000114.8V152 G205V152-H203 HydrophobicContact CG2-CB 4.15Å; H203-G205 PolarHBondContact O-N 2.77Å
204I50.4Low79.3Confident174 Ų17443.8 Ų43.889%0.89224%0.241SC*.THydrogen-bonded Turntrans-79.8-8.8177.9-59.7163.9000111.5G202G202-I204 VanDerWaalsContact C-N 3.31Å; G202-I204 PolarHBondContact O-N 2.96Å
205G53.5Low79.1Confident35 Ų3545.6 Ų45.636%0.36126%0.257SS..  trans70.359.3-175.500000112.4Q198 G202 H203 N207Q198-G205 VanDerWaalsContact O-CA 3.24Å; Q198-G205 WeakPolarHBondContact O-CA 3.46Å; G202-G205 PolarHBondContact O-N 3.41Å; H203-G205 PolarHBondContact O-N 2.77Å; G205-N207 PolarHBondContact O-N 2.97Å
206G55.6Low79.1Confident25 Ų2545.6 Ų45.626%0.25826%0.257SS..  trans-50.3138178.700000112.5C201C201-G206 VanDerWaalsContact CB-O 3.25Å; C201-G206 WeakPolarHBondContact CB-O 3.08Å; C201-G206 PolarHBondContact SG-O 3.41Å
207N68.3Low79.4Confident34 Ų3444.2 Ų44.218%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-59.7146.1-174.4-83.2-66.7000111.6G205 C287 V288 A290 L292 R298G205-N207 PolarHBondContact O-N 2.97Å; N207-C287 CarbonylContact O-C 3.44Å; N207-C287 WeakPolarHBondContact O-CA 3.44Å; N207-V288 HydrophobicContact CB-CG2 3.88Å; N207-V288 PolarHBondContact N-O 3.31Å; N207-V288 PolarHBondContact O-N 2.97Å; N207-A290 WeakPolarHBondContact CB-O 3.27Å; N207-A290 PolarHBondContact ND2-O 2.87Å; N207-L292 HydrophobicContact CB-CB 4.24Å; N207-L292 HydrophobicContact CB-CD1 3.69Å; N207-L292 HydrophobicContact CB-CG 3.72Å; N207-L292 PolarHBondContact ND2-N 2.94Å; N207-R298 PolarHBondContact OD1-NH2 2.87Å
208L80.2Confident79.7Confident26 Ų2640.6 Ų40.614%0.13623%0.231CC..EExtended strand (participates in β ladder)trans-108.3129.6177-76.3159.5000110R197 R200 C201 L239 P285R197-L208 HydrophobicContact CG-CD1 4.32Å; R200-L208 HydrophobicContact CG-CD1 4.41Å; C201-L208 WeakPolarHBondContact SG-CD2 3.39Å; L208-L239 HydrophobicContact CD1-CD1 4.12Å; L208-L239 HydrophobicContact CD1-CD2 4.04Å; L208-P285 HydrophobicContact CD2-CB 4.31Å
209V86Confident79.8Confident0 Ų035.7 Ų35.70%021%0.208CC..EExtended strand (participates in β ladder)trans-114.1157.7164-61.40000110.3P285 T286 V288 L292 C297 A302 F332V209-P285 CarbonylContact O-C 3.53Å; V209-P285 WeakPolarHBondContact O-CA 3.43Å; V209-T286 PolarHBondContact N-O 2.83Å; V209-T286 PolarHBondContact O-N 3.16Å; V209-V288 HydrophobicContact CG1-CG1 4.47Å; V209-V288 HydrophobicContact CG1-CG2 4.18Å; V209-V288 HydrophobicContact CG2-CG1 3.87Å; V209-L292 HydrophobicContact CG1-CD1 3.33Å; V209-C297 HydrophobicContact CG1-CB 4.27Å; V209-A302 HydrophobicContact CB-CB 3.67Å; V209-A302 HydrophobicContact CG1-CB 3.76Å; V209-A302 HydrophobicContact CG2-CB 4.26Å; V209-F332 HydrophobicContact CG1-CE2 3.88Å; V209-F332 HydrophobicContact CG1-CZ 3.85Å
210F90.6Very high79Confident11 Ų1139.3 Ų39.35%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-97.3137.5163.2-73.9-84.1000111L235 C238 L239 Y283 E284 P285 A301 A302F210-L235 HydrophobicContact CB-CD1 4.24Å; F210-L235 HydrophobicContact CD1-CD2 3.77Å; F210-L235 HydrophobicContact CD2-CB 4.03Å; F210-L235 HydrophobicContact CD2-CD1 3.88Å; F210-L235 HydrophobicContact CD2-CD2 4.26Å; F210-L235 HydrophobicContact CD2-CG 4.26Å; F210-L235 HydrophobicContact CE1-CD2 3.82Å; F210-L235 HydrophobicContact CE2-CB 3.67Å; F210-L235 HydrophobicContact CE2-CD1 4.4Å; F210-L235 HydrophobicContact CE2-CD2 4.33Å; F210-L235 HydrophobicContact CE2-CG 4.33Å; F210-L235 HydrophobicContact CG-CD1 3.99Å; F210-L235 HydrophobicContact CG-CD2 3.96Å; F210-L235 HydrophobicContact CG-CG 4.39Å; F210-L235 HydrophobicContact CZ-CB 3.92Å; F210-L235 HydrophobicContact CZ-CD2 4.1Å; F210-L235 HydrophobicContact CZ-CG 4.5Å; F210-L235 WeakPolarHBondContact CZ-O 3.35Å; F210-C238 HydrophobicContact CZ-CB 4.43Å; F210-L239 HydrophobicContact CE2-CD1 4.02Å; F210-L239 HydrophobicContact CE2-CD2 4.3Å; F210-L239 HydrophobicContact CE2-CG 4.08Å; F210-L239 HydrophobicContact CZ-CD1 4.24Å; F210-L239 HydrophobicContact CZ-CD2 3.75Å; F210-L239 HydrophobicContact CZ-CG 3.78Å; F210-Y283 HydrophobicContact CB-CD1 4.5Å; F210-E284 WeakPolarHBondContact CA-O 3.3Å; F210-P285 HydrophobicContact CD1-CB 4.1Å; F210-P285 HydrophobicContact CE1-CB 3.63Å; F210-P285 HydrophobicContact CE1-CG 4.04Å; F210-P285 HydrophobicContact CZ-CB 4.04Å; F210-A301 HydrophobicContact CB-CB 4.36Å; F210-A301 CarbonylContact O-C 3.51Å; F210-A301 VanDerWaalsContact O-CA 3.27Å; F210-A301 WeakPolarHBondContact O-CA 3.41Å; F210-A302 PolarHBondContact O-N 2.71Å
211I93.6Very high78Confident2 Ų238.7 Ų38.71%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-100.9119165.9-58.7179.9000107.4Y283 E284 T286 F303 R305 V324 I328 Y370I211-Y283 WeakPolarHBondContact O-CA 3.44Å; I211-E284 PolarHBondContact N-O 2.84Å; I211-E284 PolarHBondContact O-N 2.89Å; I211-T286 HydrophobicContact CD1-CG2 4.27Å; I211-T286 WeakPolarHBondContact CD1-OG1 2.99Å; I211-F303 HydrophobicContact CG2-CB 4.44Å; I211-R305 HydrophobicContact CG2-CB 3.73Å; I211-V324 HydrophobicContact CD1-CG1 3.88Å; I211-I328 HydrophobicContact CD1-CG1 4.07Å; I211-Y370 HydrophobicContact CD1-CD1 4.3Å; I211-Y370 HydrophobicContact CD1-CE1 4Å; I211-Y370 HydrophobicContact CG2-CD1 3.94Å; I211-Y370 HydrophobicContact CG2-CE1 3.88Å
212K93.9Very high76.9Confident32 Ų3238.8 Ų38.814%0.13922%0.218CC..EExtended strand (participates in β ladder)trans-88138.4178.2175.9171.4-174140.10110.4T214 E231 D281 Y282 Y283 A301 F303 E304 R305K212-T214 HydrophobicContact CD-CG2 4.37Å; K212-T214 HydrophobicContact CG-CG2 4.39Å; K212-E231 IonicContact NZ-OE2 3.76Å; K212-E231 PolarHBondContact NZ-OE2 3.24Å; K212-D281 VanDerWaalsContact CE-CG 3.44Å; K212-D281 WeakPolarHBondContact CE-OD2 3.27Å; K212-D281 IonicContact NZ-OD2 2.85Å; K212-D281 PolarHBondContact NZ-OD2 2.95Å; K212-Y282 CarbonylContact C-O 3.6Å; K212-Y282 WeakPolarHBondContact CA-O 3.04Å; K212-Y283 HydrophobicContact CB-CD1 3.94Å; K212-Y283 HydrophobicContact CB-CE1 3.77Å; K212-Y283 HydrophobicContact CD-CE1 3.71Å; K212-Y283 WeakPolarHBondContact CE-OH 3.49Å; K212-Y283 HydrophobicContact CG-CD1 4.27Å; K212-Y283 HydrophobicContact CG-CE1 3.68Å; K212-Y283 PolarHBondContact NZ-OH 2.64Å; K212-A301 HydrophobicContact CB-CB 3.37Å; K212-A301 HydrophobicContact CD-CB 4.38Å; K212-A301 HydrophobicContact CG-CB 4.49Å; K212-F303 PolarHBondContact N-O 2.82Å; K212-E304 CarbonylContact O-C 3.55Å; K212-E304 WeakPolarHBondContact O-CA 3.29Å; K212-R305 PolarHBondContact O-N 2.95Å
213T94.1Very high76.7Confident5 Ų540.8 Ų40.83%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-119.8116.3165.1-48.70000106.8F216 Y282 R305 M307T213-F216 HydrophobicContact CG2-CB 3.57Å; T213-F216 HydrophobicContact CG2-CD1 4.02Å; T213-F216 HydrophobicContact CG2-CD2 4.42Å; T213-F216 HydrophobicContact CG2-CG 3.78Å; T213-Y282 PolarHBondContact N-O 2.67Å; T213-Y282 PolarHBondContact O-N 3.49Å; T213-R305 VanDerWaalsContact OG1-CZ 3.31Å; T213-R305 PolarHBondContact OG1-NE 3.34Å; T213-R305 PolarHBondContact OG1-NH2 3.01Å; T213-M307 HydrophobicContact CG2-CE 3.61Å
214T90.9Very high77.4Confident50 Ų5036 Ų3631%0.30720%0.203SC..THydrogen-bonded Turntrans-75.3140.9-179.333.20000111.3K212 F216 D281 E304K212-T214 HydrophobicContact CD-CG2 4.37Å; K212-T214 HydrophobicContact CG-CG2 4.39Å; T214-F216 PolarHBondContact O-N 3Å; T214-D281 VanDerWaalsContact CA-OD1 3.31Å; T214-D281 WeakPolarHBondContact CA-OD1 3.47Å; T214-E304 WeakPolarHBondContact CG2-OE1 3.36Å; T214-E304 PolarHBondContact OG1-OE1 3.29Å
215A89.1Confident79Confident53 Ų5331 Ų3144%0.43818%0.183SC..THydrogen-bonded Turntrans48.657179.200000114.4P275 K280 D281A215-P275 WeakPolarHBondContact O-CD 3.32Å; A215-K280 VanDerWaalsContact CA-O 3.26Å; A215-K280 WeakPolarHBondContact CA-O 3.34Å; A215-K280 PolarHBondContact N-O 3.06Å; A215-D281 PolarHBondContact N-OD1 3.03Å; A215-D281 VanDerWaalsContact N-OD1 3.15Å
216F90.7Very high80.5Confident8 Ų830.5 Ų30.54%0.03517%0.174CC..  trans-142.5146.8-177.4177.5-102.6000111.8T213 T214 I218 T265 Q272 G273 K280 Y282 M307T213-F216 HydrophobicContact CG2-CB 3.57Å; T213-F216 HydrophobicContact CG2-CD1 4.02Å; T213-F216 HydrophobicContact CG2-CD2 4.42Å; T213-F216 HydrophobicContact CG2-CG 3.78Å; T214-F216 PolarHBondContact O-N 3Å; F216-I218 HydrophobicContact CE1-CG2 3.72Å; F216-I218 HydrophobicContact CZ-CG2 3.89Å; F216-T265 HydrophobicContact CE1-CG2 3.53Å; F216-T265 HydrophobicContact CZ-CG2 3.58Å; F216-Q272 HydrophobicContact CE2-CB 3.83Å; F216-Q272 HydrophobicContact CE2-CG 4.14Å; F216-Q272 HydrophobicContact CZ-CB 3.59Å; F216-Q272 HydrophobicContact CZ-CG 4.03Å; F216-G273 WeakPolarHBondContact CA-O 3.25Å; F216-G273 WeakPolarHBondContact CD2-O 3.42Å; F216-K280 PolarHBondContact N-O 3.4Å; F216-Y282 AromaticContact CD1-CD1 3.6Å; F216-Y282 HydrophobicContact CD1-CD1 3.6Å; F216-Y282 HydrophobicContact CD1-CD2 4.13Å; F216-Y282 HydrophobicContact CD1-CE1 4.18Å; F216-Y282 AromaticContact CD1-CG 3.57Å; F216-Y282 HydrophobicContact CD1-CG 3.57Å; F216-Y282 AromaticContact CE1-CD1 3.77Å; F216-Y282 HydrophobicContact CE1-CD1 3.77Å; F216-Y282 HydrophobicContact CE1-CD2 4.3Å; F216-Y282 AromaticContact CE1-CE1 3.86Å; F216-Y282 HydrophobicContact CE1-CE1 3.86Å; F216-Y282 HydrophobicContact CE1-CE2 4.39Å; F216-Y282 HydrophobicContact CE1-CG 4.01Å; F216-Y282 WeakPolarHBondContact O-CB 3.42Å; F216-M307 HydrophobicContact CD1-CE 4.35Å; F216-M307 HydrophobicContact CD2-CE 3.31Å; F216-M307 HydrophobicContact CE1-CE 4.25Å; F216-M307 HydrophobicContact CE2-CE 3.19Å; F216-M307 HydrophobicContact CE2-SD 4.15Å; F216-M307 HydrophobicContact CG-CE 3.91Å; F216-M307 HydrophobicContact CZ-CE 3.66Å; F216-M307 HydrophobicContact CZ-SD 4.24Å
217E87.1Confident82Confident17 Ų1735.8 Ų35.88%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-138152.3167.979.7-172.7175.200110.1H219 E250 G273 P275 K276 K280E217-H219 IonicContact OE1-CD2 3.02Å; E217-H219 PolarHBondContact OE1-CD2 2.73Å; E217-H219 IonicContact OE1-NE2 3.32Å; E217-H219 PolarHBondContact OE1-NE2 2.79Å; E217-E250 WeakPolarHBondContact CB-OE1 3.14Å; E217-G273 PolarHBondContact N-O 2.03Å; E217-G273 PolarHBondContact O-N 2.99Å; E217-G273 VanDerWaalsContact O-O 3.04Å; E217-P275 HydrophobicContact CB-CB 4.38Å; E217-P275 VanDerWaalsContact CD-CA 3.48Å; E217-P275 HydrophobicContact CG-CB 4.3Å; E217-K276 PolarHBondContact OE1-N 3.07Å; E217-K280 IonicContact OE2-NZ 3.21Å; E217-K280 PolarHBondContact OE2-NZ 2.91Å
218I86.5Confident82.8Confident2 Ų235.9 Ų35.91%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-92.7155.3158.169.5-170.6000107.4F216 Y221 E263 T265 R268 Q271 Q272 Y282F216-I218 HydrophobicContact CE1-CG2 3.72Å; F216-I218 HydrophobicContact CZ-CG2 3.89Å; I218-Y221 HydrophobicContact CB-CE1 4.24Å; I218-Y221 HydrophobicContact CD1-CE1 4.49Å; I218-Y221 HydrophobicContact CD1-CE2 4.44Å; I218-Y221 HydrophobicContact CG1-CD1 4.37Å; I218-Y221 HydrophobicContact CG1-CE1 3.55Å; I218-Y221 HydrophobicContact CG1-CE2 4.09Å; I218-Y221 WeakPolarHBondContact CG1-OH 3.15Å; I218-Y221 WeakPolarHBondContact O-CE1 3.35Å; I218-Y221 PolarHBondContact O-OH 2.84Å; I218-E263 HydrophobicContact CD1-CB 4.14Å; I218-T265 HydrophobicContact CG2-CG2 3.95Å; I218-R268 HydrophobicContact CB-CB 3.93Å; I218-R268 HydrophobicContact CB-CG 4.4Å; I218-R268 HydrophobicContact CD1-CB 4.07Å; I218-R268 HydrophobicContact CD1-CG 3.95Å; I218-R268 HydrophobicContact CG1-CB 4.3Å; I218-R268 HydrophobicContact CG1-CG 4.28Å; I218-R268 HydrophobicContact CG2-CB 4.34Å; I218-Q271 CarbonylContact C-O 3.11Å; I218-Q272 HydrophobicContact CB-CB 4.31Å; I218-Q272 HydrophobicContact CG2-CB 3.74Å; I218-Y282 HydrophobicContact CD1-CE2 3.95Å; I218-Y282 HydrophobicContact CG1-CE2 4.13Å; I218-Y282 HydrophobicContact CG2-CE2 3.98Å
219H79Confident82.7Confident26 Ų2637.4 Ų37.412%0.1221%0.211CC..  trans-116.8134-166.8-52.6112.6000115.6E217 Y221 Q271 K276E217-H219 IonicContact OE1-CD2 3.02Å; E217-H219 PolarHBondContact OE1-CD2 2.73Å; E217-H219 IonicContact OE1-NE2 3.32Å; E217-H219 PolarHBondContact OE1-NE2 2.79Å; H219-Y221 VanDerWaalsContact C-CD1 3.42Å; H219-Q271 VanDerWaalsContact CB-O 3.27Å; H219-Q271 WeakPolarHBondContact CB-O 3.48Å; H219-Q271 PolarHBondContact N-O 2.75Å; H219-Q271 PolarHBondContact ND1-O 3.2Å; H219-K276 PolarHBondContact CD2-NZ 3.48Å; H219-K276 PolarHBondContact CE1-NZ 2.82Å; H219-K276 PolarHBondContact NE2-NZ 3.2Å
220K66.9Low82.5Confident128 Ų12842.8 Ų42.856%0.55724%0.236SC*.SBendtrans63.976.2165.7-44.5-175.9-175.7-175.20117N92N92-K220 WeakPolarHBondContact ND2-CB 3.47Å; N92-K220 VanDerWaalsContact ND2-CD 3.29Å; N92-K220 WeakPolarHBondContact ND2-CD 3.16Å
221Y67.3Low82.2Confident8 Ų844.4 Ų44.43%0.03124%0.244CC..SBendtrans-161.4178.1177.850.1-76.5000106.6I218 H219 H223 E250 S261 E263 R268I218-Y221 HydrophobicContact CB-CE1 4.24Å; I218-Y221 HydrophobicContact CD1-CE1 4.49Å; I218-Y221 HydrophobicContact CD1-CE2 4.44Å; I218-Y221 HydrophobicContact CG1-CD1 4.37Å; I218-Y221 HydrophobicContact CG1-CE1 3.55Å; I218-Y221 HydrophobicContact CG1-CE2 4.09Å; I218-Y221 WeakPolarHBondContact CG1-OH 3.15Å; I218-Y221 WeakPolarHBondContact O-CE1 3.35Å; I218-Y221 PolarHBondContact O-OH 2.84Å; H219-Y221 VanDerWaalsContact C-CD1 3.42Å; Y221-H223 AromaticContact CE2-CE1 3.24Å; Y221-H223 WeakPolarHBondContact CE2-CE1 3.05Å; Y221-H223 AromaticContact CE2-ND1 3.45Å; Y221-H223 WeakPolarHBondContact CE2-ND1 3.4Å; Y221-H223 AromaticContact CE2-NE2 3.92Å; Y221-H223 AromaticContact CZ-CE1 3.19Å; Y221-H223 AromaticContact CZ-ND1 3.9Å; Y221-H223 AromaticContact CZ-NE2 3.64Å; Y221-H223 PolarHBondContact O-CD2 2.69Å; Y221-H223 PolarHBondContact OH-CE1 3Å; Y221-E250 PolarHBondContact OH-OE1 2.83Å; Y221-S261 WeakPolarHBondContact CD2-OG 3.31Å; Y221-S261 WeakPolarHBondContact CE2-OG 3.42Å; Y221-E263 HydrophobicContact CD2-CB 4.12Å; Y221-E263 HydrophobicContact CD2-CG 4.17Å; Y221-E263 HydrophobicContact CG-CB 4.38Å; Y221-E263 HydrophobicContact CG-CG 4.2Å; Y221-R268 HydrophobicContact CD1-CG 4.45Å
222D57.5Low81.6Confident22 Ų2246 Ų4612%0.11826%0.255CS..  trans-74.1154-176.6-137.5-51.1000114D37 D38 Y64D37-D222 WeakPolarHBondContact CA-OD2 3.11Å; D37-D222 WeakPolarHBondContact CB-OD1 3.46Å; D37-D222 WeakPolarHBondContact CB-OD2 3.26Å; D38-D222 PolarHBondContact N-OD2 2.97Å; Y64-D222 HydrophobicContact CE1-CB 4.1Å; Y64-D222 WeakPolarHBondContact CE1-OD2 3.41Å; Y64-D222 PolarHBondContact OH-OD2 2.77Å
223H69Low81Confident62 Ų6248.3 Ų48.329%0.28727%0.266SS..  trans-150.3102.7-164.2-79-53000111Y221 S225 I259Y221-H223 AromaticContact CE2-CE1 3.24Å; Y221-H223 WeakPolarHBondContact CE2-CE1 3.05Å; Y221-H223 AromaticContact CE2-ND1 3.45Å; Y221-H223 WeakPolarHBondContact CE2-ND1 3.4Å; Y221-H223 AromaticContact CE2-NE2 3.92Å; Y221-H223 AromaticContact CZ-CE1 3.19Å; Y221-H223 AromaticContact CZ-ND1 3.9Å; Y221-H223 AromaticContact CZ-NE2 3.64Å; Y221-H223 PolarHBondContact O-CD2 2.69Å; Y221-H223 PolarHBondContact OH-CE1 3Å; H223-S225 VanDerWaalsContact C-N 3.26Å; H223-S225 PolarHBondContact O-N 2.91Å; H223-I259 HydrophobicContact CB-CG2 3.96Å; H223-I259 WeakPolarHBondContact CE1-CG2 3.14Å; H223-I259 WeakPolarHBondContact ND1-CG2 3.43Å
224T76.1Confident80.7Confident37 Ų3748.1 Ų48.123%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-73.885.7167.141.90000109.5I39 T244 I260I39-T224 HydrophobicContact CD1-CG2 4Å; T224-T244 WeakPolarHBondContact CG2-OG1 3.34Å; T224-T244 PolarHBondContact OG1-OG1 2.86Å; T224-I260 PolarHBondContact N-O 3.42Å; T224-I260 PolarHBondContact O-N 2.91Å; T224-I260 VanDerWaalsContact O-N 3.16Å; T224-I260 WeakPolarHBondContact OG1-CB 3.33Å; T224-I260 PolarHBondContact OG1-O 3.12Å
225S83.2Confident80.6Confident68 Ų6845.9 Ų45.948%0.47625%0.251SS..EExtended strand (participates in β ladder)trans-81.4141-178.8-178.20000111.8H223 K257 C258H223-S225 VanDerWaalsContact C-N 3.26Å; H223-S225 PolarHBondContact O-N 2.91Å; S225-K257 WeakPolarHBondContact OG-CE 3.36Å; S225-C258 CarbonylContact C-O 3.51Å; S225-C258 WeakPolarHBondContact CA-O 3.32Å
226S84.9Confident80.3Confident25 Ų2546.4 Ų46.418%0.17524%0.244CC..EExtended strand (participates in β ladder)trans-158.9177.7-179.155.10000112.1K237 C258S226-K237 PolarHBondContact OG-NZ 2.91Å; S226-C258 PolarHBondContact N-O 2.93Å; S226-C258 PolarHBondContact O-N 3.17Å; S226-C258 PolarHBondContact OG-O 2.76Å
227I87.2Confident80Confident135 Ų13549.8 Ų49.869%0.69226%0.259SS*.EExtended strand (participates in β ladder)trans-115.4117.8179.1-55.3177000108.7R256I227-R256 CarbonylContact C-O 3.55Å; I227-R256 VanDerWaalsContact CA-O 3.3Å; I227-R256 WeakPolarHBondContact CA-O 3.06Å; I227-R256 HydrophobicContact CG2-CB 3.88Å
228E84.8Confident80.2Confident37 Ų3749.1 Ų49.117%0.17326%0.256CS..  trans-127.2135.4-177.9-60.5-57.7147.500109.4Q230 Q233 C234 K237 F251 R256 C258E228-Q230 VanDerWaalsContact C-N 3.27Å; E228-Q230 PolarHBondContact O-N 3.2Å; E228-Q233 HydrophobicContact CB-CB 4.17Å; E228-C234 HydrophobicContact CB-CB 4.39Å; E228-C234 HydrophobicContact CG-CB 4.43Å; E228-K237 HydrophobicContact CG-CD 4.27Å; E228-K237 VanDerWaalsContact OE1-CD 3.28Å; E228-K237 WeakPolarHBondContact OE1-CD 3.32Å; E228-K237 WeakPolarHBondContact OE1-CE 3.39Å; E228-K237 IonicContact OE1-NZ 3.5Å; E228-K237 PolarHBondContact OE1-NZ 2.9Å; E228-F251 HydrophobicContact CB-CE2 4.46Å; E228-F251 WeakPolarHBondContact O-CE2 3.44Å; E228-R256 PolarHBondContact N-O 2.84Å; E228-R256 VanDerWaalsContact O-CB 3.26Å; E228-R256 WeakPolarHBondContact O-CB 3.38Å; E228-C258 HydrophobicContact CB-CB 3.93Å; E228-C258 HydrophobicContact CG-CB 3.43Å; E228-C258 VanDerWaalsContact CG-CB 3.43Å
229A78.3Confident80.2Confident57 Ų5749.8 Ų49.847%0.47126%0.26SS..SBendtrans-72.9-19.9-17000000113.7
230Q82.6Confident80.3Confident113 Ų11352.5 Ų52.553%0.52828%0.275SS..SBendtrans-144.1156.2-176.5-60.8-176.32.100112.1E228 S232 Q233 C234 F251E228-Q230 VanDerWaalsContact C-N 3.27Å; E228-Q230 PolarHBondContact O-N 3.2Å; Q230-S232 VanDerWaalsContact C-N 3.32Å; Q230-S232 WeakPolarHBondContact CB-OG 3.37Å; Q230-S232 PolarHBondContact O-N 2.87Å; Q230-S232 PolarHBondContact OE1-OG 3.37Å; Q230-Q233 HydrophobicContact CB-CG 4.37Å; Q230-Q233 PolarHBondContact O-N 2.85Å; Q230-C234 PolarHBondContact O-N 3.03Å; Q230-F251 VanDerWaalsContact C-CZ 3.49Å
231E84.3Confident81.1Confident45 Ų4547.4 Ų47.421%0.2126%0.256CS..Hα-helixtrans-51.6-51172.4-176.3-175.8125.100110.6K212 Q233 C234 L235 F251 Y283K212-E231 IonicContact NZ-OE2 3.76Å; K212-E231 PolarHBondContact NZ-OE2 3.24Å; E231-Q233 VanDerWaalsContact C-N 3.28Å; E231-Q233 PolarHBondContact O-N 3.15Å; E231-C234 WeakPolarHBondContact O-CB 3.19Å; E231-C234 PolarHBondContact O-N 2.92Å; E231-L235 HydrophobicContact CG-CD1 4.09Å; E231-L235 HydrophobicContact CG-CG 4.33Å; E231-L235 WeakPolarHBondContact O-CG 3.48Å; E231-L235 PolarHBondContact O-N 2.88Å; E231-F251 HydrophobicContact CB-CD1 3.89Å; E231-F251 HydrophobicContact CB-CE1 4.04Å; E231-F251 HydrophobicContact CG-CD1 4.36Å; E231-Y283 HydrophobicContact CG-CE1 3.93Å; E231-Y283 HydrophobicContact CG-CE2 4.44Å; E231-Y283 WeakPolarHBondContact OE1-CE1 3.38Å; E231-Y283 PolarHBondContact OE2-OH 2.77Å
232S79.5Confident81.7Confident35 Ų3552.3 Ų52.325%0.24528%0.282CS..Hα-helixtrans-50.3-41.6178.354.60000113.9Q230 L235 Q236Q230-S232 VanDerWaalsContact C-N 3.32Å; Q230-S232 WeakPolarHBondContact CB-OG 3.37Å; Q230-S232 PolarHBondContact O-N 2.87Å; Q230-S232 PolarHBondContact OE1-OG 3.37Å; S232-L235 PolarHBondContact O-N 3.08Å; S232-Q236 WeakPolarHBondContact O-CG 3.12Å; S232-Q236 PolarHBondContact O-N 2.97Å
233Q81.2Confident82.9Confident82 Ų8254.9 Ų54.938%0.38330%0.295SS..Hα-helixtrans-68-43.5179.1-68.1176-24.200111.4E228 Q230 E231 L235 Q236 K237E228-Q233 HydrophobicContact CB-CB 4.17Å; Q230-Q233 HydrophobicContact CB-CG 4.37Å; Q230-Q233 PolarHBondContact O-N 2.85Å; E231-Q233 VanDerWaalsContact C-N 3.28Å; E231-Q233 PolarHBondContact O-N 3.15Å; Q233-L235 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 3.03Å; Q233-Q236 PolarHBondContact O-N 3.19Å; Q233-K237 VanDerWaalsContact O-CB 3.29Å; Q233-K237 WeakPolarHBondContact O-CB 3.44Å; Q233-K237 PolarHBondContact O-N 2.83Å
234C87.9Confident83.7Confident0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-60.1-41.5173.3-171.80000112E228 Q230 E231 K237 C238 F251 C258E228-C234 HydrophobicContact CB-CB 4.39Å; E228-C234 HydrophobicContact CG-CB 4.43Å; Q230-C234 PolarHBondContact O-N 3.03Å; E231-C234 WeakPolarHBondContact O-CB 3.19Å; E231-C234 PolarHBondContact O-N 2.92Å; C234-K237 PolarHBondContact O-N 3.14Å; C234-C238 PolarHBondContact O-N 3.35Å; C234-F251 HydrophobicContact CB-CD2 3.89Å; C234-F251 HydrophobicContact CB-CG 4.45Å; C234-C258 WeakPolarHBondContact CA-SG 3.43Å; C234-C258 HydrophobicContact CB-CB 3.64Å; C234-C258 WeakPolarHBondContact CB-SG 3.28Å; C234-C258 VanDerWaalsContact SG-CA 3.53Å; C234-C258 WeakPolarHBondContact SG-CB 3.23Å; C234-C258 CovalentContact SG-SG 2.03Å; C234-C258 PolarHBondContact SG-SG 3.25Å
235L88.7Confident84.3Confident3 Ų351.5 Ų51.52%0.01628%0.278CS..Hα-helixtrans-68.1-39.7178.6-63.1-173.2000113.1F210 E231 S232 Q233 C238 L239 Y283F210-L235 HydrophobicContact CB-CD1 4.24Å; F210-L235 HydrophobicContact CD1-CD2 3.77Å; F210-L235 HydrophobicContact CD2-CB 4.03Å; F210-L235 HydrophobicContact CD2-CD1 3.88Å; F210-L235 HydrophobicContact CD2-CD2 4.26Å; F210-L235 HydrophobicContact CD2-CG 4.26Å; F210-L235 HydrophobicContact CE1-CD2 3.82Å; F210-L235 HydrophobicContact CE2-CB 3.67Å; F210-L235 HydrophobicContact CE2-CD1 4.4Å; F210-L235 HydrophobicContact CE2-CD2 4.33Å; F210-L235 HydrophobicContact CE2-CG 4.33Å; F210-L235 HydrophobicContact CG-CD1 3.99Å; F210-L235 HydrophobicContact CG-CD2 3.96Å; F210-L235 HydrophobicContact CG-CG 4.39Å; F210-L235 HydrophobicContact CZ-CB 3.92Å; F210-L235 HydrophobicContact CZ-CD2 4.1Å; F210-L235 HydrophobicContact CZ-CG 4.5Å; F210-L235 WeakPolarHBondContact CZ-O 3.35Å; E231-L235 HydrophobicContact CG-CD1 4.09Å; E231-L235 HydrophobicContact CG-CG 4.33Å; E231-L235 WeakPolarHBondContact O-CG 3.48Å; E231-L235 PolarHBondContact O-N 2.88Å; S232-L235 PolarHBondContact O-N 3.08Å; Q233-L235 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 3.03Å; L235-C238 WeakPolarHBondContact O-CB 3.32Å; L235-L239 PolarHBondContact O-N 2.85Å; L235-Y283 HydrophobicContact CD1-CD1 4.2Å; L235-Y283 HydrophobicContact CD1-CE1 4.48Å; L235-Y283 HydrophobicContact CD2-CD1 3.83Å; L235-Y283 HydrophobicContact CD2-CD2 4.08Å; L235-Y283 HydrophobicContact CD2-CG 3.58Å
236Q84.3Confident84.8Confident64 Ų6448.4 Ų48.430%0.29926%0.257SS..Hα-helixtrans-65-47171.9-63.6-47.5-64.500111.1R197 S232 Q233 C238 L239 D240R197-Q236 VanDerWaalsContact CZ-OE1 3.3Å; S232-Q236 WeakPolarHBondContact O-CG 3.12Å; S232-Q236 PolarHBondContact O-N 2.97Å; Q233-Q236 PolarHBondContact O-N 3.19Å; Q236-C238 PolarHBondContact O-N 2.87Å; Q236-L239 PolarHBondContact O-N 2.88Å; Q236-D240 PolarHBondContact O-N 3.26Å
237K84.6Confident85.2Confident80 Ų8048.2 Ų48.235%0.34825%0.252SS..Hα-helixtrans-59-33.7-180-168.4-179.9-170.9174.70113.2S226 E228 Q233 C234 S241 I260S226-K237 PolarHBondContact OG-NZ 2.91Å; E228-K237 HydrophobicContact CG-CD 4.27Å; E228-K237 VanDerWaalsContact OE1-CD 3.28Å; E228-K237 WeakPolarHBondContact OE1-CD 3.32Å; E228-K237 WeakPolarHBondContact OE1-CE 3.39Å; E228-K237 IonicContact OE1-NZ 3.5Å; E228-K237 PolarHBondContact OE1-NZ 2.9Å; Q233-K237 VanDerWaalsContact O-CB 3.29Å; Q233-K237 WeakPolarHBondContact O-CB 3.44Å; Q233-K237 PolarHBondContact O-N 2.83Å; C234-K237 PolarHBondContact O-N 3.14Å; K237-S241 WeakPolarHBondContact O-CB 3.07Å; K237-S241 PolarHBondContact O-N 2.91Å; K237-S241 VanDerWaalsContact O-N 3.12Å; K237-I260 HydrophobicContact CB-CD1 3.98Å; K237-I260 HydrophobicContact CD-CD1 4.04Å; K237-I260 HydrophobicContact CG-CD1 3.68Å
238C90.1Very high85.5Confident2 Ų241.9 Ų41.91%0.01422%0.219CC..Hα-helixtrans-56.8-55.1167.8160.80000111.6F210 C234 L235 Q236 D240 S241 C246 A249 I260F210-C238 HydrophobicContact CZ-CB 4.43Å; C234-C238 PolarHBondContact O-N 3.35Å; L235-C238 WeakPolarHBondContact O-CB 3.32Å; Q236-C238 PolarHBondContact O-N 2.87Å; C238-D240 VanDerWaalsContact C-N 3.33Å; C238-D240 PolarHBondContact O-N 3.44Å; C238-S241 PolarHBondContact O-N 2.86Å; C238-C246 HydrophobicContact CB-CB 3.9Å; C238-C246 WeakPolarHBondContact CB-SG 3.18Å; C238-C246 WeakPolarHBondContact O-CB 3.29Å; C238-C246 WeakPolarHBondContact SG-CB 3.43Å; C238-C246 CovalentContact SG-SG 2.03Å; C238-C246 PolarHBondContact SG-SG 2.71Å; C238-A249 HydrophobicContact CB-CB 4.17Å; C238-I260 HydrophobicContact CB-CD1 4.43Å; C238-I260 HydrophobicContact CB-CG1 4.2Å
239L86.2Confident85.9Confident16 Ų1640.1 Ų40.18%0.08421%0.211CC..Hα-helixtrans-66.4-34.3-177.1-60.5-174.1000113.4R197 L208 F210 L235 Q236 P285R197-L239 HydrophobicContact CG-CB 4.16Å; L208-L239 HydrophobicContact CD1-CD1 4.12Å; L208-L239 HydrophobicContact CD1-CD2 4.04Å; F210-L239 HydrophobicContact CE2-CD1 4.02Å; F210-L239 HydrophobicContact CE2-CD2 4.3Å; F210-L239 HydrophobicContact CE2-CG 4.08Å; F210-L239 HydrophobicContact CZ-CD1 4.24Å; F210-L239 HydrophobicContact CZ-CD2 3.75Å; F210-L239 HydrophobicContact CZ-CG 3.78Å; L235-L239 PolarHBondContact O-N 2.85Å; Q236-L239 PolarHBondContact O-N 2.88Å; L239-P285 HydrophobicContact CD2-CB 3.8Å; L239-P285 HydrophobicContact CD2-CG 4.47Å
240D81.4Confident86.6Confident83 Ų8337.5 Ų37.544%0.44419%0.189SC..THydrogen-bonded Turntrans-93.66.6-175.6-56.7-36.8000112.9R197 Q236 C238 L242R197-D240 WeakPolarHBondContact CD-OD1 3.46Å; R197-D240 IonicContact CZ-OD1 3.04Å; R197-D240 IonicContact NE-OD1 2.78Å; R197-D240 IonicContact NH1-OD1 3.71Å; R197-D240 PolarHBondContact NH1-OD1 3.11Å; R197-D240 IonicContact NH1-OD2 2.71Å; R197-D240 PolarHBondContact NH1-OD2 3.47Å; Q236-D240 PolarHBondContact O-N 3.26Å; C238-D240 VanDerWaalsContact C-N 3.33Å; C238-D240 PolarHBondContact O-N 3.44Å; D240-L242 PolarHBondContact O-N 2.8Å
241S83.8Confident87Confident21 Ų2132.5 Ų32.515%0.14717%0.166CC..  trans-67.4121-177.9-174.80000112.7R113 K237 C238 T244R113-S241 PolarHBondContact NH2-O 2.82Å; K237-S241 WeakPolarHBondContact O-CB 3.07Å; K237-S241 PolarHBondContact O-N 2.91Å; K237-S241 VanDerWaalsContact O-N 3.12Å; C238-S241 PolarHBondContact O-N 2.86Å; S241-T244 VanDerWaalsContact CB-O 3.31Å; S241-T244 WeakPolarHBondContact CB-O 3.43Å; S241-T244 PolarHBondContact OG-N 3.36Å; S241-T244 PolarHBondContact OG-O 2.9Å
242L81Confident87.3Confident111 Ų11130.5 Ų30.558%0.58116%0.157SC*.SBendtrans-74-56.9173.1-59.4-178.5000110.5F112 R113 D240 T244F112-L242 HydrophobicContact CD2-CB 4.09Å; F112-L242 WeakPolarHBondContact CD2-O 3.39Å; F112-L242 HydrophobicContact CE2-CB 4.01Å; F112-L242 VanDerWaalsContact CE2-O 3.23Å; F112-L242 WeakPolarHBondContact CE2-O 2.98Å; R113-L242 WeakPolarHBondContact CG-O 3.12Å; R113-L242 PolarHBondContact NE-O 2.87Å; D240-L242 PolarHBondContact O-N 2.8Å; L242-T244 VanDerWaalsContact C-N 3.32Å; L242-T244 PolarHBondContact O-N 2.9Å
243N82.2Confident87.6Confident76 Ų7632.5 Ų32.541%0.40617%0.169SC..SBendtrans-74.1-17.9-169.3-598000114.3I39 R113I39-N243 HydrophobicContact CD1-CB 3.83Å; R113-N243 WeakPolarHBondContact CA-O 3.47Å
244T84.8Confident88Confident15 Ų1532.9 Ų32.99%0.09219%0.186CC..SBendtrans-130.5127.8-178.4-47.20000109.7T224 S241 L242 C246 I260 D262T224-T244 WeakPolarHBondContact CG2-OG1 3.34Å; T224-T244 PolarHBondContact OG1-OG1 2.86Å; S241-T244 VanDerWaalsContact CB-O 3.31Å; S241-T244 WeakPolarHBondContact CB-O 3.43Å; S241-T244 PolarHBondContact OG-N 3.36Å; S241-T244 PolarHBondContact OG-O 2.9Å; L242-T244 VanDerWaalsContact C-N 3.32Å; L242-T244 PolarHBondContact O-N 2.9Å; T244-C246 VanDerWaalsContact C-N 3.32Å; T244-C246 PolarHBondContact O-N 3.11Å; T244-I260 HydrophobicContact CG2-CG2 4.2Å; T244-D262 HydrophobicContact CG2-CB 3.87Å
245F90.5Very high88.1Confident14 Ų1437.2 Ų37.26%0.06121%0.209CC..  trans-78.482.6173-178.8-120000110N193 L195 R200 R247N193-F245 HydrophobicContact CB-CB 4.48Å; N193-F245 HydrophobicContact CB-CD1 4.37Å; L195-F245 HydrophobicContact CB-CD2 4.43Å; L195-F245 HydrophobicContact CB-CE2 3.57Å; L195-F245 HydrophobicContact CB-CZ 3.83Å; L195-F245 HydrophobicContact CD1-CZ 4.09Å; L195-F245 WeakPolarHBondContact O-CD2 3.4Å; L195-F245 WeakPolarHBondContact O-CE2 3.48Å; R200-F245 HydrophobicContact CB-CE2 4.19Å; R200-F245 HydrophobicContact CB-CZ 4.19Å; F245-R247 HydrophobicContact CD1-CG 4.29Å; F245-R247 WeakPolarHBondContact O-CG 3.45Å; F245-R247 PolarHBondContact O-N 3.18Å
246C91.9Very high88.1Confident3 Ų344.1 Ų44.12%0.0224%0.235CC..  trans-53.2111.1-169-1780000113.5R200 C238 T244 S248 I260 S261R200-C246 PolarHBondContact NH1-O 3.36Å; R200-C246 PolarHBondContact NH2-O 3.17Å; C238-C246 HydrophobicContact CB-CB 3.9Å; C238-C246 WeakPolarHBondContact CB-SG 3.18Å; C238-C246 WeakPolarHBondContact O-CB 3.29Å; C238-C246 WeakPolarHBondContact SG-CB 3.43Å; C238-C246 CovalentContact SG-SG 2.03Å; C238-C246 PolarHBondContact SG-SG 2.71Å; T244-C246 VanDerWaalsContact C-N 3.32Å; T244-C246 PolarHBondContact O-N 3.11Å; C246-S248 PolarHBondContact SG-O 2.83Å; C246-I260 HydrophobicContact CB-CG2 3.83Å; C246-S261 CarbonylContact C-O 3.55Å; C246-S261 VanDerWaalsContact CA-O 3.31Å; C246-S261 WeakPolarHBondContact CA-O 3.46Å
247R93.4Very high88.4Confident21 Ų2144.2 Ų44.28%0.07923%0.234CC..SBendtrans-101.6-19.8170.2-58.4-162.2-175.8-96.13.3112.4R173 D191 N193 F245 S261 D262 D264 P285R173-R247 VanDerWaalsContact NH1-CZ 3.32Å; R173-R247 VanDerWaalsContact NH2-CD 3.35Å; D191-R247 IonicContact OD2-NH2 2.66Å; N193-R247 PolarHBondContact OD1-NH2 3.31Å; F245-R247 HydrophobicContact CD1-CG 4.29Å; F245-R247 WeakPolarHBondContact O-CG 3.45Å; F245-R247 PolarHBondContact O-N 3.18Å; R247-S261 PolarHBondContact N-O 2.81Å; R247-D262 WeakPolarHBondContact CD-O 3.38Å; R247-D262 VanDerWaalsContact CG-O 3.24Å; R247-D262 WeakPolarHBondContact CG-O 3.13Å; R247-D264 HydrophobicContact CB-CB 3.99Å; R247-D264 VanDerWaalsContact CD-OD2 3.28Å; R247-D264 WeakPolarHBondContact CD-OD2 3.36Å; R247-P285 WeakPolarHBondContact O-CD 3.45Å
248S94.4Very high88.7Confident1 Ų140.4 Ų40.41%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-152.4161.316764.30000112.4C246 S261 E263 Y282 Y283C246-S248 PolarHBondContact SG-O 2.83Å; S248-S261 PolarHBondContact N-O 3.45Å; S248-S261 PolarHBondContact O-N 3.42Å; S248-E263 WeakPolarHBondContact CB-O 3.44Å; S248-E263 PolarHBondContact N-O 3.09Å; S248-E263 PolarHBondContact OG-O 3.44Å; S248-Y282 VanDerWaalsContact CB-CE2 3.43Å; S248-Y282 WeakPolarHBondContact CB-OH 3.45Å; S248-Y283 CarbonylContact C-O 3.58Å; S248-Y283 VanDerWaalsContact CA-O 3.28Å; S248-Y283 WeakPolarHBondContact CA-O 3.37Å
249A92.7Very high88.8Confident0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-133.7147.5168.900000110.8C238 I259 I260 Y282 Y283C238-A249 HydrophobicContact CB-CB 4.17Å; A249-I259 CarbonylContact C-O 3.58Å; A249-I259 WeakPolarHBondContact CA-O 3.21Å; A249-I260 HydrophobicContact CB-CG1 4.43Å; A249-Y282 CarbonylContact O-C 3.59Å; A249-Y282 WeakPolarHBondContact O-CA 3.41Å; A249-Y283 PolarHBondContact N-O 3.17Å; A249-Y283 PolarHBondContact O-N 2.88Å
250E92.4Very high89Confident3 Ų340 Ų401%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-113.8140.1167.4-60.6171.7-175.700109.4E217 Y221 I259 K280 D281 Y282E217-E250 WeakPolarHBondContact CB-OE1 3.14Å; Y221-E250 PolarHBondContact OH-OE1 2.83Å; E250-I259 HydrophobicContact CB-CB 4.13Å; E250-I259 PolarHBondContact N-O 3.31Å; E250-I259 PolarHBondContact O-N 2.89Å; E250-K280 HydrophobicContact CB-CD 4.15Å; E250-K280 WeakPolarHBondContact OE2-CD 3.38Å; E250-K280 WeakPolarHBondContact OE2-CE 3.07Å; E250-K280 IonicContact OE2-NZ 3.91Å; E250-K280 PolarHBondContact OE2-NZ 2.9Å; E250-D281 CarbonylContact C-O 3.59Å; E250-D281 WeakPolarHBondContact CA-O 3.31Å; E250-Y282 HydrophobicContact CG-CD2 3.89Å
251F90.9Very high89.4Confident7 Ų736.2 Ų36.23%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-130.2129.6175-175.3-112.3000110.9E228 Q230 E231 C234 P253 K257 C258 K280 D281 Y283E228-F251 HydrophobicContact CB-CE2 4.46Å; E228-F251 WeakPolarHBondContact O-CE2 3.44Å; Q230-F251 VanDerWaalsContact C-CZ 3.49Å; E231-F251 HydrophobicContact CB-CD1 3.89Å; E231-F251 HydrophobicContact CB-CE1 4.04Å; E231-F251 HydrophobicContact CG-CD1 4.36Å; C234-F251 HydrophobicContact CB-CD2 3.89Å; C234-F251 HydrophobicContact CB-CG 4.45Å; F251-P253 HydrophobicContact CD1-CG 3.94Å; F251-P253 HydrophobicContact CE1-CB 4.09Å; F251-P253 HydrophobicContact CE1-CG 3.92Å; F251-P253 WeakPolarHBondContact O-CD 3.32Å; F251-K257 WeakPolarHBondContact CA-O 3.25Å; F251-C258 HydrophobicContact CD2-CB 4.36Å; F251-K280 WeakPolarHBondContact O-CA 3.46Å; F251-D281 PolarHBondContact N-O 2.64Å; F251-D281 PolarHBondContact O-N 2.91Å; F251-Y283 HydrophobicContact CB-CE2 3.94Å
252S91.1Very high89.7Confident3 Ų335.7 Ų35.72%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-104.7107.2168.3-173.60000110.3A254 L255 R256 K257 N279S252-A254 PolarHBondContact O-N 3.47Å; S252-L255 PolarHBondContact O-N 2.8Å; S252-R256 WeakPolarHBondContact O-CA 3.43Å; S252-R256 PolarHBondContact O-N 2.91Å; S252-K257 PolarHBondContact N-O 3.32Å; S252-K257 PolarHBondContact O-N 2.75Å; S252-N279 WeakPolarHBondContact CB-O 3.37Å; S252-N279 PolarHBondContact OG-O 2.85Å
253P87Confident90.3Very high77 Ų7730.4 Ų30.450%0.516%0.163SC..THydrogen-bonded Turntrans-60.3-32.5178.4-24.533.8000113.6F251F251-P253 HydrophobicContact CD1-CG 3.94Å; F251-P253 HydrophobicContact CE1-CB 4.09Å; F251-P253 HydrophobicContact CE1-CG 3.92Å; F251-P253 WeakPolarHBondContact O-CD 3.32Å
254A89.6Confident90.8Very high91 Ų9127.4 Ų27.475%0.75215%0.147SC*.THydrogen-bonded Turntrans-69.6-35.7-178.400000113S252S252-A254 PolarHBondContact O-N 3.47Å
255L90Very high91.1Very high90 Ų9027.9 Ų27.947%0.47115%0.15SC..THydrogen-bonded Turntrans-106.7-2.7-176.9-64.1174.3000113.4S252 K257 E278S252-L255 PolarHBondContact O-N 2.8Å; L255-K257 HydrophobicContact CB-CB 4.18Å; L255-K257 PolarHBondContact O-N 3.08Å; L255-K257 VanDerWaalsContact O-N 3.11Å; L255-E278 HydrophobicContact CD1-CB 4.25Å; L255-E278 HydrophobicContact CD1-CG 3.71Å; L255-E278 VanDerWaalsContact CD1-OE1 3.25Å; L255-E278 WeakPolarHBondContact CD1-OE1 3.44Å; L255-E278 WeakPolarHBondContact CD1-OE2 3.49Å
256R88.5Confident91.1Very high148 Ų14832 Ų3256%0.55817%0.168SC*.THydrogen-bonded Turntrans54.922.2-171.2-69.2174.7-176.5172.53113I227 E228 S252 C258I227-R256 CarbonylContact C-O 3.55Å; I227-R256 VanDerWaalsContact CA-O 3.3Å; I227-R256 WeakPolarHBondContact CA-O 3.06Å; I227-R256 HydrophobicContact CG2-CB 3.88Å; E228-R256 PolarHBondContact N-O 2.84Å; E228-R256 VanDerWaalsContact O-CB 3.26Å; E228-R256 WeakPolarHBondContact O-CB 3.38Å; S252-R256 WeakPolarHBondContact O-CA 3.43Å; S252-R256 PolarHBondContact O-N 2.91Å; R256-C258 PolarHBondContact O-N 2.9Å
257K91Very high90.9Very high66 Ų6632.7 Ų32.729%0.28717%0.173SC..EExtended strand (participates in β ladder)trans-82.7117.2-175-168-179.5-176.8-177.30109S225 F251 S252 L255 I259 E278S225-K257 WeakPolarHBondContact OG-CE 3.36Å; F251-K257 WeakPolarHBondContact CA-O 3.25Å; S252-K257 PolarHBondContact N-O 3.32Å; S252-K257 PolarHBondContact O-N 2.75Å; L255-K257 HydrophobicContact CB-CB 4.18Å; L255-K257 PolarHBondContact O-N 3.08Å; L255-K257 VanDerWaalsContact O-N 3.11Å; K257-I259 HydrophobicContact CD-CD1 4.18Å; K257-I259 HydrophobicContact CG-CD1 4.38Å; K257-I259 HydrophobicContact CG-CG1 4.23Å; K257-E278 IonicContact NZ-OE2 2.69Å
258C90.5Very high90.8Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-103.6133.2171.2178.10000109.3S225 S226 E228 C234 F251 R256S225-C258 CarbonylContact C-O 3.51Å; S225-C258 WeakPolarHBondContact CA-O 3.32Å; S226-C258 PolarHBondContact N-O 2.93Å; S226-C258 PolarHBondContact O-N 3.17Å; S226-C258 PolarHBondContact OG-O 2.76Å; E228-C258 HydrophobicContact CB-CB 3.93Å; E228-C258 HydrophobicContact CG-CB 3.43Å; E228-C258 VanDerWaalsContact CG-CB 3.43Å; C234-C258 WeakPolarHBondContact CA-SG 3.43Å; C234-C258 HydrophobicContact CB-CB 3.64Å; C234-C258 WeakPolarHBondContact CB-SG 3.28Å; C234-C258 VanDerWaalsContact SG-CA 3.53Å; C234-C258 WeakPolarHBondContact SG-CB 3.23Å; C234-C258 CovalentContact SG-SG 2.03Å; C234-C258 PolarHBondContact SG-SG 3.25Å; F251-C258 HydrophobicContact CD2-CB 4.36Å; R256-C258 PolarHBondContact O-N 2.9Å
259I90.6Very high90.4Very high7 Ų734.7 Ų34.74%0.03619%0.194CC..EExtended strand (participates in β ladder)trans-129.5125.8-179.2-68.8168.6000107H223 A249 E250 K257H223-I259 HydrophobicContact CB-CG2 3.96Å; H223-I259 WeakPolarHBondContact CE1-CG2 3.14Å; H223-I259 WeakPolarHBondContact ND1-CG2 3.43Å; A249-I259 CarbonylContact C-O 3.58Å; A249-I259 WeakPolarHBondContact CA-O 3.21Å; E250-I259 HydrophobicContact CB-CB 4.13Å; E250-I259 PolarHBondContact N-O 3.31Å; E250-I259 PolarHBondContact O-N 2.89Å; K257-I259 HydrophobicContact CD-CD1 4.18Å; K257-I259 HydrophobicContact CG-CD1 4.38Å; K257-I259 HydrophobicContact CG-CG1 4.23Å
260I90.6Very high90.1Very high3 Ų339.7 Ų39.72%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-114140.3179.5-69.5160000109.5T224 K237 C238 T244 C246 A249T224-I260 PolarHBondContact N-O 3.42Å; T224-I260 PolarHBondContact O-N 2.91Å; T224-I260 VanDerWaalsContact O-N 3.16Å; T224-I260 WeakPolarHBondContact OG1-CB 3.33Å; T224-I260 PolarHBondContact OG1-O 3.12Å; K237-I260 HydrophobicContact CB-CD1 3.98Å; K237-I260 HydrophobicContact CD-CD1 4.04Å; K237-I260 HydrophobicContact CG-CD1 3.68Å; C238-I260 HydrophobicContact CB-CD1 4.43Å; C238-I260 HydrophobicContact CB-CG1 4.2Å; T244-I260 HydrophobicContact CG2-CG2 4.2Å; C246-I260 HydrophobicContact CB-CG2 3.83Å; A249-I260 HydrophobicContact CB-CG1 4.43Å
261S90.8Very high89.7Confident3 Ų340.8 Ų40.82%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-138.4148.1-176-174.60000112.6Y221 C246 R247 S248 E263Y221-S261 WeakPolarHBondContact CD2-OG 3.31Å; Y221-S261 WeakPolarHBondContact CE2-OG 3.42Å; C246-S261 CarbonylContact C-O 3.55Å; C246-S261 VanDerWaalsContact CA-O 3.31Å; C246-S261 WeakPolarHBondContact CA-O 3.46Å; R247-S261 PolarHBondContact N-O 2.81Å; S248-S261 PolarHBondContact N-O 3.45Å; S248-S261 PolarHBondContact O-N 3.42Å; S261-E263 VanDerWaalsContact C-N 3.31Å; S261-E263 PolarHBondContact OG-N 3.49Å
262D90.8Very high89.6Confident10 Ų1043 Ų435%0.05324%0.237CC..SBendtrans-89.14.9169.175.4-51.4000113.3R19 H115 T244 R247R19-D262 IonicContact CZ-OD2 3.6Å; R19-D262 IonicContact NH1-OD1 3.3Å; R19-D262 IonicContact NH1-OD2 2.91Å; R19-D262 PolarHBondContact NH1-OD2 2.84Å; R19-D262 IonicContact NH2-OD2 2.69Å; R19-D262 PolarHBondContact NH2-OD2 3.21Å; H115-D262 IonicContact CE1-OD2 3.57Å; H115-D262 PolarHBondContact CE1-OD2 2.04Å; H115-D262 IonicContact NE2-OD2 3.11Å; T244-D262 HydrophobicContact CG2-CB 3.87Å; R247-D262 WeakPolarHBondContact CD-O 3.38Å; R247-D262 VanDerWaalsContact CG-O 3.24Å; R247-D262 WeakPolarHBondContact CG-O 3.13Å
263E91.7Very high89.3Confident0 Ų043.5 Ų43.50%024%0.242CC..  trans-105.3159.7175.5-63.6-74.6138.200111.2R19 I218 Y221 S248 S261 S267 R268R19-E263 IonicContact CZ-OE1 2.73Å; R19-E263 IonicContact NH1-OE1 2.91Å; R19-E263 PolarHBondContact NH1-OE1 2.95Å; R19-E263 IonicContact NH2-OE1 3.54Å; R19-E263 PolarHBondContact NH2-OE1 3.29Å; I218-E263 HydrophobicContact CD1-CB 4.14Å; Y221-E263 HydrophobicContact CD2-CB 4.12Å; Y221-E263 HydrophobicContact CD2-CG 4.17Å; Y221-E263 HydrophobicContact CG-CB 4.38Å; Y221-E263 HydrophobicContact CG-CG 4.2Å; S248-E263 WeakPolarHBondContact CB-O 3.44Å; S248-E263 PolarHBondContact N-O 3.09Å; S248-E263 PolarHBondContact OG-O 3.44Å; S261-E263 VanDerWaalsContact C-N 3.31Å; S261-E263 PolarHBondContact OG-N 3.49Å; E263-S267 WeakPolarHBondContact CA-OG 3.19Å; E263-S267 VanDerWaalsContact CD-OG 3.3Å; E263-S267 WeakPolarHBondContact OE2-CB 3.39Å; E263-S267 PolarHBondContact OE2-OG 3.47Å; E263-R268 HydrophobicContact CB-CG 4.03Å; E263-R268 VanDerWaalsContact CD-NH2 3.28Å; E263-R268 IonicContact OE1-NH2 3.47Å; E263-R268 PolarHBondContact OE1-NH2 3.32Å; E263-R268 IonicContact OE2-CZ 2.82Å; E263-R268 VanDerWaalsContact OE2-CZ 3.22Å; E263-R268 IonicContact OE2-NE 2.68Å; E263-R268 PolarHBondContact OE2-NE 3.25Å; E263-R268 IonicContact OE2-NH2 3.19Å; E263-R268 PolarHBondContact OE2-NH2 3Å
264D92.5Very high89Confident14 Ų1444.8 Ų44.88%0.07525%0.25CS..  trans-146.6176.5-177.449.231.1000112.2R173 R247 F266 S267 R268 Y282R173-D264 IonicContact CZ-OD1 3.33Å; R173-D264 IonicContact CZ-OD2 2.69Å; R173-D264 VanDerWaalsContact CZ-OD2 3.31Å; R173-D264 IonicContact NE-OD1 3.24Å; R173-D264 IonicContact NE-OD2 3.45Å; R173-D264 PolarHBondContact NE-OD2 3.42Å; R173-D264 IonicContact NH2-OD1 3.41Å; R173-D264 PolarHBondContact NH2-OD1 2.73Å; R173-D264 IonicContact NH2-OD2 3.56Å; R173-D264 PolarHBondContact NH2-OD2 3Å; R173-D264 VanDerWaalsContact NH2-OD2 3.12Å; R247-D264 HydrophobicContact CB-CB 3.99Å; R247-D264 VanDerWaalsContact CD-OD2 3.28Å; R247-D264 WeakPolarHBondContact CD-OD2 3.36Å; D264-F266 PolarHBondContact O-N 2.76Å; D264-F266 VanDerWaalsContact O-N 3.1Å; D264-F266 WeakPolarHBondContact OD1-CB 3.41Å; D264-F266 PolarHBondContact OD1-N 2.03Å; D264-S267 PolarHBondContact N-OG 3.3Å; D264-S267 PolarHBondContact O-N 3.01Å; D264-S267 PolarHBondContact O-OG 3.25Å; D264-S267 PolarHBondContact OD1-N 2.96Å; D264-S267 PolarHBondContact OD1-OG 3.04Å; D264-R268 PolarHBondContact O-N 3.18Å; D264-Y282 WeakPolarHBondContact CA-OH 3.48Å
265T91.8Very high88.3Confident25 Ų2541.8 Ų41.815%0.15322%0.223CC..THydrogen-bonded Turntrans-66.3-8.9176.455.40000113.8F216 I218 A269 Q272 Y282 E284 R305F216-T265 HydrophobicContact CE1-CG2 3.53Å; F216-T265 HydrophobicContact CZ-CG2 3.58Å; I218-T265 HydrophobicContact CG2-CG2 3.95Å; T265-A269 WeakPolarHBondContact O-CB 3.18Å; T265-Q272 VanDerWaalsContact CB-OE1 3.28Å; T265-Q272 VanDerWaalsContact CG2-OE1 3.23Å; T265-Y282 HydrophobicContact CG2-CE1 3.91Å; T265-Y282 PolarHBondContact N-OH 3.06Å; T265-E284 VanDerWaalsContact CB-OE1 3.29Å; T265-E284 WeakPolarHBondContact CB-OE1 3.42Å; T265-E284 WeakPolarHBondContact CG2-OE1 3.47Å; T265-E284 PolarHBondContact N-OE1 2.6Å; T265-E284 PolarHBondContact OG1-OE1 3.21Å; T265-E284 PolarHBondContact OG1-OE2 3.26Å; T265-R305 PolarHBondContact OG1-NH1 3.03Å
266F90.3Very high87.6Confident100 Ų10044.6 Ų44.644%0.43923%0.231SC..THydrogen-bonded Turntrans-81.4-42.5168.3175.1-89000111.5R172 R173 P176 D264R172-F266 HydrophobicContact CG-CE1 4.06Å; R172-F266 HydrophobicContact CG-CZ 4.21Å; R172-F266 WeakPolarHBondContact O-CZ 3.29Å; R173-F266 HydrophobicContact CG-CD1 3.73Å; R173-F266 HydrophobicContact CG-CE1 3.87Å; R173-F266 HydrophobicContact CG-CG 4.07Å; R173-F266 HydrophobicContact CG-CZ 4.32Å; P176-F266 HydrophobicContact CB-CE2 4.16Å; D264-F266 PolarHBondContact O-N 2.76Å; D264-F266 VanDerWaalsContact O-N 3.1Å; D264-F266 WeakPolarHBondContact OD1-CB 3.41Å; D264-F266 PolarHBondContact OD1-N 2.03Å
267S89Confident86.5Confident18 Ų1843.2 Ų43.213%0.12624%0.235CC..THydrogen-bonded Turntrans-83.8-23.8179.370.80000114.5R22 E263 D264R22-S267 PolarHBondContact NH2-O 3.3Å; E263-S267 WeakPolarHBondContact CA-OG 3.19Å; E263-S267 VanDerWaalsContact CD-OG 3.3Å; E263-S267 WeakPolarHBondContact OE2-CB 3.39Å; E263-S267 PolarHBondContact OE2-OG 3.47Å; D264-S267 PolarHBondContact N-OG 3.3Å; D264-S267 PolarHBondContact O-N 3.01Å; D264-S267 PolarHBondContact O-OG 3.25Å; D264-S267 PolarHBondContact OD1-N 2.96Å; D264-S267 PolarHBondContact OD1-OG 3.04Å
268R89.6Confident85.7Confident0 Ų043.8 Ų43.80%024%0.238CC..SBendtrans-114.426179.8-63.4-67.6140.8179-0.5114.8A91 I218 Y221 E263 D264 D270 Q271A91-R268 PolarHBondContact O-NH1 2.8Å; I218-R268 HydrophobicContact CB-CB 3.93Å; I218-R268 HydrophobicContact CB-CG 4.4Å; I218-R268 HydrophobicContact CD1-CB 4.07Å; I218-R268 HydrophobicContact CD1-CG 3.95Å; I218-R268 HydrophobicContact CG1-CB 4.3Å; I218-R268 HydrophobicContact CG1-CG 4.28Å; I218-R268 HydrophobicContact CG2-CB 4.34Å; Y221-R268 HydrophobicContact CD1-CG 4.45Å; E263-R268 HydrophobicContact CB-CG 4.03Å; E263-R268 VanDerWaalsContact CD-NH2 3.28Å; E263-R268 IonicContact OE1-NH2 3.47Å; E263-R268 PolarHBondContact OE1-NH2 3.32Å; E263-R268 IonicContact OE2-CZ 2.82Å; E263-R268 VanDerWaalsContact OE2-CZ 3.22Å; E263-R268 IonicContact OE2-NE 2.68Å; E263-R268 PolarHBondContact OE2-NE 3.25Å; E263-R268 IonicContact OE2-NH2 3.19Å; E263-R268 PolarHBondContact OE2-NH2 3Å; D264-R268 PolarHBondContact O-N 3.18Å; R268-D270 PolarHBondContact O-N 2.95Å; R268-Q271 HydrophobicContact CB-CB 4.41Å; R268-Q271 CarbonylContact O-C 3.6Å; R268-Q271 WeakPolarHBondContact O-CA 3.34Å; R268-Q271 PolarHBondContact O-N 3.41Å
269A86.4Confident85.3Confident63 Ų6350.3 Ų50.352%0.52127%0.273SS..THydrogen-bonded Turntrans-52.6-28.4-176.700000115.9T265T265-A269 WeakPolarHBondContact O-CB 3.18Å
270D87Confident85.2Confident105 Ų10550.7 Ų50.756%0.56128%0.275SS*.THydrogen-bonded Turntrans-93.7-7.4176.464.6-41.1000114.1R22 R268R22-D270 IonicContact CZ-OD1 2.74Å; R22-D270 VanDerWaalsContact CZ-OD1 3.28Å; R22-D270 IonicContact CZ-OD2 3.2Å; R22-D270 VanDerWaalsContact NH1-CG 3.27Å; R22-D270 IonicContact NH1-OD1 3.5Å; R22-D270 PolarHBondContact NH1-OD1 3.21Å; R22-D270 IonicContact NH1-OD2 2.73Å; R22-D270 PolarHBondContact NH1-OD2 3.39Å; R22-D270 IonicContact NH2-OD1 3.8Å; R22-D270 PolarHBondContact NH2-OD1 3.2Å; R22-D270 IonicContact NH2-OD2 2.81Å; R268-D270 PolarHBondContact O-N 2.95Å
271Q84.5Confident85.3Confident27 Ų2751.9 Ų51.913%0.12628%0.281CS..SBendtrans-123.138.9-173.5-60-167-77.300111.8A91 N92 I218 H219 R268A91-Q271 HydrophobicContact CB-CG 4.49Å; N92-Q271 PolarHBondContact OD1-NE2 3.21Å; I218-Q271 CarbonylContact C-O 3.11Å; H219-Q271 VanDerWaalsContact CB-O 3.27Å; H219-Q271 WeakPolarHBondContact CB-O 3.48Å; H219-Q271 PolarHBondContact N-O 2.75Å; H219-Q271 PolarHBondContact ND1-O 3.2Å; R268-Q271 HydrophobicContact CB-CB 4.41Å; R268-Q271 CarbonylContact O-C 3.6Å; R268-Q271 WeakPolarHBondContact O-CA 3.34Å; R268-Q271 PolarHBondContact O-N 3.41Å
272Q88.2Confident85.4Confident54 Ų5451.8 Ų51.825%0.25228%0.28SS..EExtended strand (participates in β ladder)trans-130.9157-17366.4-176.930.700113.6F216 I218 T265F216-Q272 HydrophobicContact CE2-CB 3.83Å; F216-Q272 HydrophobicContact CE2-CG 4.14Å; F216-Q272 HydrophobicContact CZ-CB 3.59Å; F216-Q272 HydrophobicContact CZ-CG 4.03Å; I218-Q272 HydrophobicContact CB-CB 4.31Å; I218-Q272 HydrophobicContact CG2-CB 3.74Å; T265-Q272 VanDerWaalsContact CB-OE1 3.28Å; T265-Q272 VanDerWaalsContact CG2-OE1 3.23Å
273G84.1Confident85.6Confident13 Ų1351.3 Ų51.313%0.13428%0.277CS..EExtended strand (participates in β ladder)trans170.5-167.6-179.300000115.1F216 E217F216-G273 WeakPolarHBondContact CA-O 3.25Å; F216-G273 WeakPolarHBondContact CD2-O 3.42Å; E217-G273 PolarHBondContact N-O 2.03Å; E217-G273 PolarHBondContact O-N 2.99Å; E217-G273 VanDerWaalsContact O-O 3.04Å
274P81.7Confident85.7Confident103 Ų10352.4 Ų52.467%0.66928%0.283SS*.SBendtrans-65.1148.7170.330.2-35.2000110.3K276P274-K276 PolarHBondContact O-N 3.2Å
275P75.6Confident85.7Confident28 Ų2852.7 Ų52.718%0.18229%0.285CS..  trans-64132.1-174.525.8-34.7000111.7A215 E217 L277 E278A215-P275 WeakPolarHBondContact O-CD 3.32Å; E217-P275 HydrophobicContact CB-CB 4.38Å; E217-P275 VanDerWaalsContact CD-CA 3.48Å; E217-P275 HydrophobicContact CG-CB 4.3Å; P275-L277 VanDerWaalsContact C-N 3.32Å; P275-E278 WeakPolarHBondContact CB-O 3.41Å; P275-E278 WeakPolarHBondContact CG-O 3.34Å
276K73.7Confident85.6Confident149 Ų14952.4 Ų52.465%0.64828%0.283SS*.SBendtrans-75-26.1174.8-66-172.5176.477.30112.4E217 H219 P274E217-K276 PolarHBondContact OE1-N 3.07Å; H219-K276 PolarHBondContact CD2-NZ 3.48Å; H219-K276 PolarHBondContact CE1-NZ 2.82Å; H219-K276 PolarHBondContact NE2-NZ 3.2Å; P274-K276 PolarHBondContact O-N 3.2Å
277L66.3Low85.4Confident120 Ų12049 Ų4963%0.62827%0.272SS*.SBendtrans-137.4128.5-179.6-127.878000109.1P275P275-L277 VanDerWaalsContact C-N 3.32Å
278E73.3Confident85Confident78 Ų7848.4 Ų48.436%0.36427%0.267SS..SBendtrans66.7147172.1-54.6160.1170.300114.1L255 K257 P275 K280L255-E278 HydrophobicContact CD1-CB 4.25Å; L255-E278 HydrophobicContact CD1-CG 3.71Å; L255-E278 VanDerWaalsContact CD1-OE1 3.25Å; L255-E278 WeakPolarHBondContact CD1-OE1 3.44Å; L255-E278 WeakPolarHBondContact CD1-OE2 3.49Å; K257-E278 IonicContact NZ-OE2 2.69Å; P275-E278 WeakPolarHBondContact CB-O 3.41Å; P275-E278 WeakPolarHBondContact CG-O 3.34Å; E278-K280 PolarHBondContact O-N 3.42Å
279N83.9Confident84Confident136 Ų13652.2 Ų52.273%0.72730%0.299SS*.  trans-75.3116.3170.1-79.57.8000108.6S252S252-N279 WeakPolarHBondContact CB-O 3.37Å; S252-N279 PolarHBondContact OG-O 2.85Å
280K87.9Confident82.7Confident16 Ų1649.8 Ų49.87%0.0728%0.279CS..  trans-127.4151173.1-41.3178.1-159.2153.20109.8A215 F216 E217 E250 F251 E278A215-K280 VanDerWaalsContact CA-O 3.26Å; A215-K280 WeakPolarHBondContact CA-O 3.34Å; A215-K280 PolarHBondContact N-O 3.06Å; F216-K280 PolarHBondContact N-O 3.4Å; E217-K280 IonicContact OE2-NZ 3.21Å; E217-K280 PolarHBondContact OE2-NZ 2.91Å; E250-K280 HydrophobicContact CB-CD 4.15Å; E250-K280 WeakPolarHBondContact OE2-CD 3.38Å; E250-K280 WeakPolarHBondContact OE2-CE 3.07Å; E250-K280 IonicContact OE2-NZ 3.91Å; E250-K280 PolarHBondContact OE2-NZ 2.9Å; F251-K280 WeakPolarHBondContact O-CA 3.46Å; E278-K280 PolarHBondContact O-N 3.42Å
281D91.8Very high81.2Confident28 Ų2847.6 Ų47.615%0.1527%0.267CS..EExtended strand (participates in β ladder)trans-107.3150.4164.8-65.2-30.5000109.3K212 T214 A215 E250 F251 Y283K212-D281 VanDerWaalsContact CE-CG 3.44Å; K212-D281 WeakPolarHBondContact CE-OD2 3.27Å; K212-D281 IonicContact NZ-OD2 2.85Å; K212-D281 PolarHBondContact NZ-OD2 2.95Å; T214-D281 VanDerWaalsContact CA-OD1 3.31Å; T214-D281 WeakPolarHBondContact CA-OD1 3.47Å; A215-D281 PolarHBondContact N-OD1 3.03Å; A215-D281 VanDerWaalsContact N-OD1 3.15Å; E250-D281 CarbonylContact C-O 3.59Å; E250-D281 WeakPolarHBondContact CA-O 3.31Å; F251-D281 PolarHBondContact N-O 2.64Å; F251-D281 PolarHBondContact O-N 2.91Å; D281-Y283 VanDerWaalsContact C-CE2 3.48Å; D281-Y283 HydrophobicContact CB-CE2 3.69Å; D281-Y283 WeakPolarHBondContact CB-OH 3.25Å; D281-Y283 VanDerWaalsContact O-CE2 3.22Å; D281-Y283 WeakPolarHBondContact O-CE2 3.44Å
282Y94.2Very high79.9Confident0 Ų046.3 Ų46.30%026%0.261CS..EExtended strand (participates in β ladder)trans-120.6142.2-173.1168-83.9000111.3K212 T213 F216 I218 S248 A249 E250 D264 T265 E284K212-Y282 CarbonylContact C-O 3.6Å; K212-Y282 WeakPolarHBondContact CA-O 3.04Å; T213-Y282 PolarHBondContact N-O 2.67Å; T213-Y282 PolarHBondContact O-N 3.49Å; F216-Y282 AromaticContact CD1-CD1 3.6Å; F216-Y282 HydrophobicContact CD1-CD1 3.6Å; F216-Y282 HydrophobicContact CD1-CD2 4.13Å; F216-Y282 HydrophobicContact CD1-CE1 4.18Å; F216-Y282 AromaticContact CD1-CG 3.57Å; F216-Y282 HydrophobicContact CD1-CG 3.57Å; F216-Y282 AromaticContact CE1-CD1 3.77Å; F216-Y282 HydrophobicContact CE1-CD1 3.77Å; F216-Y282 HydrophobicContact CE1-CD2 4.3Å; F216-Y282 AromaticContact CE1-CE1 3.86Å; F216-Y282 HydrophobicContact CE1-CE1 3.86Å; F216-Y282 HydrophobicContact CE1-CE2 4.39Å; F216-Y282 HydrophobicContact CE1-CG 4.01Å; F216-Y282 WeakPolarHBondContact O-CB 3.42Å; I218-Y282 HydrophobicContact CD1-CE2 3.95Å; I218-Y282 HydrophobicContact CG1-CE2 4.13Å; I218-Y282 HydrophobicContact CG2-CE2 3.98Å; S248-Y282 VanDerWaalsContact CB-CE2 3.43Å; S248-Y282 WeakPolarHBondContact CB-OH 3.45Å; A249-Y282 CarbonylContact O-C 3.59Å; A249-Y282 WeakPolarHBondContact O-CA 3.41Å; E250-Y282 HydrophobicContact CG-CD2 3.89Å; D264-Y282 WeakPolarHBondContact CA-OH 3.48Å; T265-Y282 HydrophobicContact CG2-CE1 3.91Å; T265-Y282 PolarHBondContact N-OH 3.06Å; Y282-E284 HydrophobicContact CE1-CG 3.56Å; Y282-E284 WeakPolarHBondContact CE1-OE1 3.06Å; Y282-E284 PolarHBondContact OH-OE1 2.75Å
283Y94.1Very high77.9Confident0 Ų046.7 Ų46.70%027%0.267CS..EExtended strand (participates in β ladder)trans-136.3127.3-166.3-56.7-96.3000112.3F210 I211 K212 E231 L235 S248 A249 F251 D281 A301F210-Y283 HydrophobicContact CB-CD1 4.5Å; I211-Y283 WeakPolarHBondContact O-CA 3.44Å; K212-Y283 HydrophobicContact CB-CD1 3.94Å; K212-Y283 HydrophobicContact CB-CE1 3.77Å; K212-Y283 HydrophobicContact CD-CE1 3.71Å; K212-Y283 WeakPolarHBondContact CE-OH 3.49Å; K212-Y283 HydrophobicContact CG-CD1 4.27Å; K212-Y283 HydrophobicContact CG-CE1 3.68Å; K212-Y283 PolarHBondContact NZ-OH 2.64Å; E231-Y283 HydrophobicContact CG-CE1 3.93Å; E231-Y283 HydrophobicContact CG-CE2 4.44Å; E231-Y283 WeakPolarHBondContact OE1-CE1 3.38Å; E231-Y283 PolarHBondContact OE2-OH 2.77Å; L235-Y283 HydrophobicContact CD1-CD1 4.2Å; L235-Y283 HydrophobicContact CD1-CE1 4.48Å; L235-Y283 HydrophobicContact CD2-CD1 3.83Å; L235-Y283 HydrophobicContact CD2-CD2 4.08Å; L235-Y283 HydrophobicContact CD2-CG 3.58Å; S248-Y283 CarbonylContact C-O 3.58Å; S248-Y283 VanDerWaalsContact CA-O 3.28Å; S248-Y283 WeakPolarHBondContact CA-O 3.37Å; A249-Y283 PolarHBondContact N-O 3.17Å; A249-Y283 PolarHBondContact O-N 2.88Å; F251-Y283 HydrophobicContact CB-CE2 3.94Å; D281-Y283 VanDerWaalsContact C-CE2 3.48Å; D281-Y283 HydrophobicContact CB-CE2 3.69Å; D281-Y283 WeakPolarHBondContact CB-OH 3.25Å; D281-Y283 VanDerWaalsContact O-CE2 3.22Å; D281-Y283 WeakPolarHBondContact O-CE2 3.44Å; Y283-A301 HydrophobicContact CD1-CB 4.25Å; Y283-A301 HydrophobicContact CE1-CB 4.25Å
284E94.1Very high75.8Confident23 Ų2348.5 Ų48.511%0.10728%0.278CS..EExtended strand (participates in β ladder)trans-111.5116.6176.3-83.2167.8167.200111.5F210 I211 T265 Y282 T286 R305F210-E284 WeakPolarHBondContact CA-O 3.3Å; I211-E284 PolarHBondContact N-O 2.84Å; I211-E284 PolarHBondContact O-N 2.89Å; T265-E284 VanDerWaalsContact CB-OE1 3.29Å; T265-E284 WeakPolarHBondContact CB-OE1 3.42Å; T265-E284 WeakPolarHBondContact CG2-OE1 3.47Å; T265-E284 PolarHBondContact N-OE1 2.6Å; T265-E284 PolarHBondContact OG1-OE1 3.21Å; T265-E284 PolarHBondContact OG1-OE2 3.26Å; Y282-E284 HydrophobicContact CE1-CG 3.56Å; Y282-E284 WeakPolarHBondContact CE1-OE1 3.06Å; Y282-E284 PolarHBondContact OH-OE1 2.75Å; E284-T286 PolarHBondContact O-N 2.88Å; E284-T286 PolarHBondContact O-OG1 2.73Å; E284-R305 IonicContact OE1-NH1 2.68Å; E284-R305 IonicContact OE2-CZ 2.86Å; E284-R305 IonicContact OE2-NH1 2.71Å; E284-R305 PolarHBondContact OE2-NH1 2.03Å; E284-R305 IonicContact OE2-NH2 3.22Å
285P91.9Very high74.2Confident21 Ų2145 Ų4514%0.13626%0.256CS..EExtended strand (participates in β ladder)trans-69.3109.1172.427.7-31.7000110.4L208 V209 F210 L239 R247L208-P285 HydrophobicContact CD2-CB 4.31Å; V209-P285 CarbonylContact O-C 3.53Å; V209-P285 WeakPolarHBondContact O-CA 3.43Å; F210-P285 HydrophobicContact CD1-CB 4.1Å; F210-P285 HydrophobicContact CE1-CB 3.63Å; F210-P285 HydrophobicContact CE1-CG 4.04Å; F210-P285 HydrophobicContact CZ-CB 4.04Å; L239-P285 HydrophobicContact CD2-CB 3.8Å; L239-P285 HydrophobicContact CD2-CG 4.47Å; R247-P285 WeakPolarHBondContact O-CD 3.45Å
286T90.3Very high73.2Confident18 Ų1846.6 Ų46.611%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-106.7124.8-177.7-59.80000109.7V209 I211 E284V209-T286 PolarHBondContact N-O 2.83Å; V209-T286 PolarHBondContact O-N 3.16Å; I211-T286 HydrophobicContact CD1-CG2 4.27Å; I211-T286 WeakPolarHBondContact CD1-OG1 2.99Å; E284-T286 PolarHBondContact O-N 2.88Å; E284-T286 PolarHBondContact O-OG1 2.73Å
287C86.9Confident72.7Confident29 Ų2939.6 Ų39.620%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-65.2139.8168.4-61.60000110C201 N207 S325C201-C287 WeakPolarHBondContact CA-SG 3.45Å; C201-C287 HydrophobicContact CB-CB 3.74Å; C201-C287 WeakPolarHBondContact CB-SG 3.19Å; C201-C287 VanDerWaalsContact SG-CA 3.59Å; C201-C287 WeakPolarHBondContact SG-CB 3.33Å; C201-C287 CovalentContact SG-SG 2.04Å; C201-C287 PolarHBondContact SG-SG 2.73Å; N207-C287 CarbonylContact O-C 3.44Å; N207-C287 WeakPolarHBondContact O-CA 3.44Å; C287-S325 PolarHBondContact O-OG 3.01Å
288V79.5Confident72.4Confident5 Ų539.5 Ų39.53%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-132142.3173.2-62.90000111.4N207 V209 A290 L292 I328 S329 F332N207-V288 HydrophobicContact CB-CG2 3.88Å; N207-V288 PolarHBondContact N-O 3.31Å; N207-V288 PolarHBondContact O-N 2.97Å; V209-V288 HydrophobicContact CG1-CG1 4.47Å; V209-V288 HydrophobicContact CG1-CG2 4.18Å; V209-V288 HydrophobicContact CG2-CG1 3.87Å; V288-A290 HydrophobicContact CB-CB 4.41Å; V288-A290 HydrophobicContact CG2-CB 4.22Å; V288-A290 PolarHBondContact O-N 3.42Å; V288-L292 HydrophobicContact CG2-CD1 3.95Å; V288-L292 HydrophobicContact CG2-CD2 4.45Å; V288-L292 HydrophobicContact CG2-CG 4.23Å; V288-I328 HydrophobicContact CG1-CG2 3.71Å; V288-S329 WeakPolarHBondContact CA-OG 3.43Å; V288-F332 HydrophobicContact CB-CD2 4.46Å; V288-F332 HydrophobicContact CG1-CD2 4.24Å; V288-F332 HydrophobicContact CG1-CE2 4.13Å; V288-F332 HydrophobicContact CG2-CE2 4.44Å
289A68.1Low71.5Confident80 Ų8042.9 Ų42.966%0.66124%0.242SC*.SBendtrans-8426.6173.300000112.2S329A289-S329 PolarHBondContact N-OG 3.01Å
290A60Low70.8Confident12 Ų1241.8 Ų41.810%0.09923%0.233CC..SBendtrans-109.6147.3179.500000110.4N207 V288 L292 F332N207-A290 WeakPolarHBondContact CB-O 3.27Å; N207-A290 PolarHBondContact ND2-O 2.87Å; V288-A290 HydrophobicContact CB-CB 4.41Å; V288-A290 HydrophobicContact CG2-CB 4.22Å; V288-A290 PolarHBondContact O-N 3.42Å; A290-L292 HydrophobicContact CB-CD2 4.41Å; A290-F332 HydrophobicContact CB-CB 3.45Å; A290-F332 VanDerWaalsContact CB-CB 3.45Å; A290-F332 HydrophobicContact CB-CD1 4.45Å; A290-F332 HydrophobicContact CB-CD2 4.1Å; A290-F332 HydrophobicContact CB-CG 3.78Å
291D55.6Low70.6Confident59 Ų5941.4 Ų41.432%0.31623%0.232SC..  trans-78.7118.2171.9-175-2.1000110T293 T488D291-T293 VanDerWaalsContact CG-OG1 3.28Å; D291-T293 VanDerWaalsContact OD1-CB 3.31Å; D291-T293 WeakPolarHBondContact OD1-CB 3.07Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.31Å; D291-T293 PolarHBondContact OD1-N 2.93Å; D291-T293 PolarHBondContact OD1-OG1 2.91Å; D291-T293 PolarHBondContact OD2-OG1 3.48Å; D291-T488 WeakPolarHBondContact CB-OG1 2.96Å; D291-T488 WeakPolarHBondContact OD2-CB 3.39Å; D291-T488 PolarHBondContact OD2-OG1 3.36Å
292L56.9Low70.3Confident1 Ų140.1 Ų40.11%0.00523%0.225CC..  trans-109.717.9178.9-52.6-176.6000113N207 V209 V288 A290 S294 C297 R298 F332N207-L292 HydrophobicContact CB-CB 4.24Å; N207-L292 HydrophobicContact CB-CD1 3.69Å; N207-L292 HydrophobicContact CB-CG 3.72Å; N207-L292 PolarHBondContact ND2-N 2.94Å; V209-L292 HydrophobicContact CG1-CD1 3.33Å; V288-L292 HydrophobicContact CG2-CD1 3.95Å; V288-L292 HydrophobicContact CG2-CD2 4.45Å; V288-L292 HydrophobicContact CG2-CG 4.23Å; A290-L292 HydrophobicContact CB-CD2 4.41Å; L292-S294 PolarHBondContact O-N 2.82Å; L292-C297 HydrophobicContact CD1-CB 4.36Å; L292-C297 HydrophobicContact CD2-CB 4.48Å; L292-R298 HydrophobicContact CB-CG 4.22Å; L292-R298 WeakPolarHBondContact O-CD 3.38Å; L292-R298 PolarHBondContact O-NE 2.91Å; L292-R298 VanDerWaalsContact O-NE 3.11Å; L292-F332 HydrophobicContact CD2-CD1 4.05Å; L292-F332 HydrophobicContact CD2-CE1 3.62Å; L292-F332 HydrophobicContact CD2-CE2 4.29Å; L292-F332 HydrophobicContact CD2-CZ 3.76Å
293T46.9Very low70.2Confident62 Ų6240.1 Ų40.138%0.3823%0.225SC..THydrogen-bonded Turntrans-53.3-26.6177.643.90000113.8D291 Y490D291-T293 VanDerWaalsContact CG-OG1 3.28Å; D291-T293 VanDerWaalsContact OD1-CB 3.31Å; D291-T293 WeakPolarHBondContact OD1-CB 3.07Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.31Å; D291-T293 PolarHBondContact OD1-N 2.93Å; D291-T293 PolarHBondContact OD1-OG1 2.91Å; D291-T293 PolarHBondContact OD2-OG1 3.48Å; T293-Y490 HydrophobicContact CG2-CD2 4.21Å; T293-Y490 HydrophobicContact CG2-CE2 4.22Å
294S39.5Very low70.2Confident51 Ų5141.4 Ų41.436%0.35723%0.231SC..THydrogen-bonded Turntrans-133.638.2-169.253.90000114L292 R466L292-S294 PolarHBondContact O-N 2.82Å; S294-R466 VanDerWaalsContact CB-NH2 3.32Å; S294-R466 PolarHBondContact OG-NE 2.83Å; S294-R466 PolarHBondContact OG-NH1 3.35Å; S294-R466 PolarHBondContact OG-NH2 3.01Å
295S47.9Very low70.2Confident30 Ų3040.7 Ų40.721%0.2123%0.228CC..SBendtrans-137146.417864.70000113.8C297S295-C297 PolarHBondContact O-N 2.94Å; S295-C297 VanDerWaalsContact O-N 3.08Å; S295-C297 PolarHBondContact OG-SG 3.19Å
296T54Low70.3Confident60 Ų6042.3 Ų42.337%0.36823%0.233SC..G310 helixtrans-64.3-11.5177.348.80000113.7R298 Q299 E375T296-R298 PolarHBondContact O-N 2.85Å; T296-Q299 PolarHBondContact O-N 2.91Å; T296-E375 PolarHBondContact OG1-N 2.96Å
297C64.3Low70.4Confident2 Ų243.9 Ų43.91%0.01424%0.239CC..G310 helixtrans-50.6-19.8174.3-51.60000115.7V209 L292 S295 Q300 A302 F332 C374V209-C297 HydrophobicContact CG1-CB 4.27Å; L292-C297 HydrophobicContact CD1-CB 4.36Å; L292-C297 HydrophobicContact CD2-CB 4.48Å; S295-C297 PolarHBondContact O-N 2.94Å; S295-C297 VanDerWaalsContact O-N 3.08Å; S295-C297 PolarHBondContact OG-SG 3.19Å; C297-Q300 VanDerWaalsContact O-O 3.05Å; C297-A302 HydrophobicContact CB-CB 4.01Å; C297-F332 HydrophobicContact CB-CZ 4.45Å; C297-F332 VanDerWaalsContact SG-CE1 3.51Å; C297-C374 WeakPolarHBondContact CA-SG 3.31Å; C297-C374 HydrophobicContact CB-CB 4.35Å; C297-C374 WeakPolarHBondContact CB-SG 3.48Å; C297-C374 WeakPolarHBondContact SG-CB 3.49Å; C297-C374 CovalentContact SG-SG 2.02Å; C297-C374 PolarHBondContact SG-SG 3.38Å
298R58.8Low70.6Confident119 Ų11943.2 Ų43.245%0.44924%0.237SC..G310 helixtrans-82.2-19.5-179.9-74.6-179.1164.4177.7-0.3113.8N207 L292 T296N207-R298 PolarHBondContact OD1-NH2 2.87Å; L292-R298 HydrophobicContact CB-CG 4.22Å; L292-R298 WeakPolarHBondContact O-CD 3.38Å; L292-R298 PolarHBondContact O-NE 2.91Å; L292-R298 VanDerWaalsContact O-NE 3.11Å; T296-R298 PolarHBondContact O-N 2.85Å
299Q54.6Low71.4Confident148 Ų14844.3 Ų44.369%0.69225%0.245SC*.THydrogen-bonded Turntrans-109.5-14.5-176.8-62.5-175.1500113.7T296T296-Q299 PolarHBondContact O-N 2.91Å
300Q69Low72.8Confident114 Ų11440.5 Ų40.553%0.53321%0.214SC..SBendtrans-138.5166.5-175.8-59.6-178.911.600109.7C297 A302C297-Q300 VanDerWaalsContact O-O 3.05Å; Q300-A302 PolarHBondContact O-N 2.84Å
301A83.9Confident74.5Confident8 Ų840 Ų407%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-65.4123.6171.500000111.9F210 K212 Y283 F303F210-A301 HydrophobicContact CB-CB 4.36Å; F210-A301 CarbonylContact O-C 3.51Å; F210-A301 VanDerWaalsContact O-CA 3.27Å; F210-A301 WeakPolarHBondContact O-CA 3.41Å; K212-A301 HydrophobicContact CB-CB 3.37Å; K212-A301 HydrophobicContact CD-CB 4.38Å; K212-A301 HydrophobicContact CG-CB 4.49Å; Y283-A301 HydrophobicContact CD1-CB 4.25Å; Y283-A301 HydrophobicContact CE1-CB 4.25Å; A301-F303 VanDerWaalsContact C-N 3.29Å; A301-F303 PolarHBondContact O-N 2.91Å
302A86.6Confident76.2Confident0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-70.4-25.6-176.500000113.5V209 F210 C297 Q300 F332 N373 C374V209-A302 HydrophobicContact CB-CB 3.67Å; V209-A302 HydrophobicContact CG1-CB 3.76Å; V209-A302 HydrophobicContact CG2-CB 4.26Å; F210-A302 PolarHBondContact O-N 2.71Å; C297-A302 HydrophobicContact CB-CB 4.01Å; Q300-A302 PolarHBondContact O-N 2.84Å; A302-F332 HydrophobicContact CB-CZ 4.07Å; A302-N373 PolarHBondContact O-N 3.47Å; A302-C374 WeakPolarHBondContact CA-SG 3.19Å; A302-C374 WeakPolarHBondContact CB-SG 3.5Å
303F91.8Very high77.7Confident0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-137.9145.6177.5-68.9-100.3000111.3I211 K212 A301 I328 C331 F332 V340 E371 F372I211-F303 HydrophobicContact CG2-CB 4.44Å; K212-F303 PolarHBondContact N-O 2.82Å; A301-F303 VanDerWaalsContact C-N 3.29Å; A301-F303 PolarHBondContact O-N 2.91Å; F303-I328 HydrophobicContact CD1-CD1 3.8Å; F303-I328 HydrophobicContact CD2-CD1 3.84Å; F303-I328 HydrophobicContact CD2-CG2 4.06Å; F303-I328 HydrophobicContact CE1-CD1 3.76Å; F303-I328 HydrophobicContact CE2-CD1 3.85Å; F303-I328 HydrophobicContact CE2-CG2 3.52Å; F303-I328 HydrophobicContact CG-CD1 3.84Å; F303-I328 HydrophobicContact CZ-CD1 3.78Å; F303-I328 HydrophobicContact CZ-CG2 4.08Å; F303-C331 HydrophobicContact CE1-CB 4.49Å; F303-C331 HydrophobicContact CZ-CB 4.18Å; F303-C331 VanDerWaalsContact CZ-SG 3.5Å; F303-F332 HydrophobicContact CE2-CD2 4.35Å; F303-F332 AromaticContact CE2-CE2 3.75Å; F303-F332 HydrophobicContact CE2-CE2 3.75Å; F303-F332 HydrophobicContact CE2-CZ 4.04Å; F303-V340 HydrophobicContact CE1-CG2 4.49Å; F303-E371 CarbonylContact C-O 3.46Å; F303-E371 WeakPolarHBondContact CA-O 3.44Å; F303-E371 WeakPolarHBondContact CB-O 3.24Å; F303-E371 WeakPolarHBondContact CD1-O 3.28Å; F303-F372 HydrophobicContact CD1-CB 4.24Å; F303-F372 HydrophobicContact CD1-CD2 4.25Å; F303-F372 HydrophobicContact CD2-CD2 4.3Å; F303-F372 HydrophobicContact CE1-CB 3.83Å; F303-F372 AromaticContact CE1-CD2 3.65Å; F303-F372 HydrophobicContact CE1-CD2 3.65Å; F303-F372 HydrophobicContact CE1-CG 4.15Å; F303-F372 AromaticContact CE2-CD2 3.65Å; F303-F372 HydrophobicContact CE2-CD2 3.65Å; F303-F372 AromaticContact CE2-CE2 3.98Å; F303-F372 HydrophobicContact CE2-CE2 3.98Å; F303-F372 HydrophobicContact CZ-CB 4.36Å; F303-F372 AromaticContact CZ-CD2 3.3Å; F303-F372 HydrophobicContact CZ-CD2 3.3Å; F303-F372 AromaticContact CZ-CE2 3.88Å; F303-F372 HydrophobicContact CZ-CE2 3.88Å; F303-F372 HydrophobicContact CZ-CG 4.17Å
304E93.5Very high79.8Confident27 Ų2746.6 Ų46.613%0.12626%0.256CS..EExtended strand (participates in β ladder)trans-100.1120.8163.8-170.3-179.3-160.700109.9K212 T214 F306 K356 Y370 E371K212-E304 CarbonylContact O-C 3.55Å; K212-E304 WeakPolarHBondContact O-CA 3.29Å; T214-E304 WeakPolarHBondContact CG2-OE1 3.36Å; T214-E304 PolarHBondContact OG1-OE1 3.29Å; E304-F306 HydrophobicContact CB-CE2 3.97Å; E304-F306 VanDerWaalsContact CD-CE2 3.42Å; E304-F306 HydrophobicContact CG-CD2 4.26Å; E304-F306 HydrophobicContact CG-CE2 3.52Å; E304-F306 HydrophobicContact CG-CZ 3.83Å; E304-F306 WeakPolarHBondContact OE1-CZ 3.34Å; E304-F306 VanDerWaalsContact OE2-CE2 3.3Å; E304-F306 WeakPolarHBondContact OE2-CE2 3.28Å; E304-F306 WeakPolarHBondContact OE2-CZ 3.38Å; E304-K356 IonicContact OE2-NZ 3.74Å; E304-K356 PolarHBondContact OE2-NZ 2.84Å; E304-Y370 WeakPolarHBondContact O-CA 3.28Å; E304-E371 PolarHBondContact N-O 3.09Å; E304-E371 PolarHBondContact O-N 2.78Å
305R95.4Very high82.3Confident9 Ų946.8 Ų46.83%0.03426%0.256CS..EExtended strand (participates in β ladder)trans-94.5118.4-179-179.8178.767.31726.7110.9I211 K212 T213 T265 E284 M307 D368 Y369 Y370I211-R305 HydrophobicContact CG2-CB 3.73Å; K212-R305 PolarHBondContact O-N 2.95Å; T213-R305 VanDerWaalsContact OG1-CZ 3.31Å; T213-R305 PolarHBondContact OG1-NE 3.34Å; T213-R305 PolarHBondContact OG1-NH2 3.01Å; T265-R305 PolarHBondContact OG1-NH1 3.03Å; E284-R305 IonicContact OE1-NH1 2.68Å; E284-R305 IonicContact OE2-CZ 2.86Å; E284-R305 IonicContact OE2-NH1 2.71Å; E284-R305 PolarHBondContact OE2-NH1 2.03Å; E284-R305 IonicContact OE2-NH2 3.22Å; R305-M307 HydrophobicContact CG-CG 4.23Å; R305-D368 HydrophobicContact CG-CB 4.45Å; R305-Y369 CarbonylContact C-O 3.43Å; R305-Y369 WeakPolarHBondContact CA-O 3.25Å; R305-Y370 HydrophobicContact CB-CD1 3.99Å; R305-Y370 HydrophobicContact CB-CE1 3.92Å; R305-Y370 VanDerWaalsContact CD-OH 3.32Å; R305-Y370 WeakPolarHBondContact CD-OH 3.24Å; R305-Y370 HydrophobicContact CG-CD1 4.14Å; R305-Y370 HydrophobicContact CG-CE1 3.68Å; R305-Y370 HydrophobicContact CG-CE2 4.31Å
306F93.8Very high84.1Confident55 Ų5548.4 Ų48.424%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-104.4102.7171.2-65.3-93000109.1E304 K356 Y369E304-F306 HydrophobicContact CB-CE2 3.97Å; E304-F306 VanDerWaalsContact CD-CE2 3.42Å; E304-F306 HydrophobicContact CG-CD2 4.26Å; E304-F306 HydrophobicContact CG-CE2 3.52Å; E304-F306 HydrophobicContact CG-CZ 3.83Å; E304-F306 WeakPolarHBondContact OE1-CZ 3.34Å; E304-F306 VanDerWaalsContact OE2-CE2 3.3Å; E304-F306 WeakPolarHBondContact OE2-CE2 3.28Å; E304-F306 WeakPolarHBondContact OE2-CZ 3.38Å; F306-K356 HydrophobicContact CE2-CD 4.01Å; F306-K356 HydrophobicContact CZ-CD 3.95Å; F306-Y369 HydrophobicContact CB-CD1 4.05Å; F306-Y369 AromaticContact CD2-CD1 3.65Å; F306-Y369 HydrophobicContact CD2-CD1 3.65Å; F306-Y369 HydrophobicContact CD2-CE1 4.07Å; F306-Y369 HydrophobicContact CG-CD1 4.12Å; F306-Y369 PolarHBondContact N-O 3.15Å; F306-Y369 PolarHBondContact O-N 2.94Å
307M91.2Very high85.5Confident51 Ų5147.4 Ų47.425%0.25126%0.262SS..THydrogen-bonded Turntrans-71.2152.4-178.4-74.8178.7-70.400113T213 F216 R305 S309 D368T213-M307 HydrophobicContact CG2-CE 3.61Å; F216-M307 HydrophobicContact CD1-CE 4.35Å; F216-M307 HydrophobicContact CD2-CE 3.31Å; F216-M307 HydrophobicContact CE1-CE 4.25Å; F216-M307 HydrophobicContact CE2-CE 3.19Å; F216-M307 HydrophobicContact CE2-SD 4.15Å; F216-M307 HydrophobicContact CG-CE 3.91Å; F216-M307 HydrophobicContact CZ-CE 3.66Å; F216-M307 HydrophobicContact CZ-SD 4.24Å; R305-M307 HydrophobicContact CG-CG 4.23Å; M307-S309 PolarHBondContact O-N 3.35Å; M307-S309 PolarHBondContact O-OG 3.26Å; M307-D368 WeakPolarHBondContact CA-OD1 3.45Å; M307-D368 WeakPolarHBondContact CB-OD1 3.12Å
308G92.5Very high86.6Confident14 Ų1451 Ų5114%0.14429%0.287CS..THydrogen-bonded Turntrans58.929.3178.100000113.5N363 N364 T367 D368G308-N363 PolarHBondContact O-OD1 3.06Å; G308-N364 CarbonylContact C-O 3.55Å; G308-N364 WeakPolarHBondContact CA-O 3.17Å; G308-N364 CarbonylContact O-C 3.57Å; G308-N364 PolarHBondContact O-N 2.77Å; G308-T367 CarbonylContact C-O 3.35Å; G308-T367 VanDerWaalsContact C-O 3.32Å; G308-T367 WeakPolarHBondContact CA-O 3.36Å; G308-T367 PolarHBondContact N-O 2.71Å; G308-T367 VanDerWaalsContact N-O 3.08Å; G308-D368 PolarHBondContact N-OD1 3.04Å
309S95.3Very high87.6Confident28 Ų2846.4 Ų46.420%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-137152.8-170.8-60.20000110.5M307 Q362 T367 D368 Y369M307-S309 PolarHBondContact O-N 3.35Å; M307-S309 PolarHBondContact O-OG 3.26Å; S309-Q362 CarbonylContact C-O 3.52Å; S309-Q362 WeakPolarHBondContact CA-O 3.11Å; S309-T367 PolarHBondContact N-O 3.36Å; S309-T367 CarbonylContact O-C 3.58Å; S309-D368 CarbonylContact O-C 3.54Å; S309-Y369 WeakPolarHBondContact O-CB 3.32Å; S309-Y369 PolarHBondContact O-N 2.91Å
310A96.6Very high89.2Confident1 Ų144.5 Ų44.51%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-146.4145.4175.900000111.5N341 Q362 N364 T367A310-N341 WeakPolarHBondContact CA-OD1 3.24Å; A310-Q362 HydrophobicContact CB-CG 4.14Å; A310-Q362 PolarHBondContact N-O 3.33Å; A310-Q362 WeakPolarHBondContact O-CG 3.41Å; A310-Q362 PolarHBondContact O-N 3.28Å; A310-N364 HydrophobicContact CB-CB 4.12Å; A310-T367 HydrophobicContact CB-CG2 3.91Å
311I95.7Very high89.7Confident2 Ų240.8 Ų40.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-84143.5168.3-162.8158.6000110.8N341 Y352 V354 N355 A359 M361 Y369I311-N341 PolarHBondContact N-OD1 2.57Å; I311-N341 PolarHBondContact O-ND2 2.6Å; I311-Y352 HydrophobicContact CG2-CD1 4.13Å; I311-Y352 HydrophobicContact CG2-CD2 3.71Å; I311-Y352 HydrophobicContact CG2-CE1 4.3Å; I311-Y352 HydrophobicContact CG2-CE2 3.92Å; I311-Y352 HydrophobicContact CG2-CG 3.83Å; I311-V354 HydrophobicContact CD1-CG2 4.02Å; I311-V354 HydrophobicContact CG1-CG2 4.45Å; I311-N355 VanDerWaalsContact CD1-C 3.44Å; I311-N355 WeakPolarHBondContact CD1-O 3.47Å; I311-A359 HydrophobicContact CD1-CB 4.06Å; I311-A359 HydrophobicContact CG1-CB 3.99Å; I311-M361 HydrophobicContact CB-SD 3.81Å; I311-M361 HydrophobicContact CG1-SD 4.18Å; I311-Y369 HydrophobicContact CB-CD2 3.85Å; I311-Y369 HydrophobicContact CB-CE2 3.53Å; I311-Y369 HydrophobicContact CD1-CE2 3.92Å; I311-Y369 HydrophobicContact CG1-CE2 4.34Å; I311-Y369 HydrophobicContact CG2-CD2 3.94Å; I311-Y369 HydrophobicContact CG2-CE2 3.64Å
312Q93.2Very high89.5Confident86 Ų8641.6 Ų41.640%0.40227%0.269SS..  trans-90.4137.5173.2-65.3-177.1-17.200110.8A359 N360 Q362Q312-A359 WeakPolarHBondContact O-CB 3.04Å; Q312-N360 HydrophobicContact CB-CB 4.42Å; Q312-N360 PolarHBondContact N-O 2.82Å; Q312-Q362 HydrophobicContact CG-CG 4.17Å
313G87.8Confident89.6Confident50 Ų5042 Ų4252%0.51527%0.272SS..SBendtrans158.5-177175.800000112.9
314T90.9Very high89.6Confident124 Ų12443.8 Ų43.876%0.76128%0.282SS*.  trans-87.4123.2167.747.60000109.9
315P91Very high89.3Confident54 Ų5444.3 Ų44.335%0.35129%0.289SS..  trans-70.4142.4175.129.9-34000110.8Y350 I351 Y352P315-Y350 HydrophobicContact CB-CD1 4.47Å; P315-Y350 HydrophobicContact CG-CD1 4.22Å; P315-I351 CarbonylContact C-O 3.52Å; P315-I351 WeakPolarHBondContact CA-O 3.43Å; P315-I351 WeakPolarHBondContact CB-O 3.47Å; P315-Y352 HydrophobicContact CB-CD1 4.47Å; P315-Y352 HydrophobicContact CB-CE1 4.09Å; P315-Y352 HydrophobicContact CB-CE2 4.48Å
316V86.3Confident88.9Confident65 Ų6546.3 Ų46.339%0.39430%0.3SS..SBendtrans-82.1-20.1174.4-64.20000112.7N336 I351V316-N336 HydrophobicContact CG2-CB 4.49Å; V316-I351 HydrophobicContact CG2-CB 4.33Å; V316-I351 HydrophobicContact CG2-CG2 3.8Å; V316-I351 WeakPolarHBondContact CG2-O 3.24Å; V316-I351 PolarHBondContact N-O 3.42Å
317A82.5Confident88.6Confident38 Ų3843.8 Ų43.831%0.31429%0.29SS..EExtended strand (participates in β ladder)trans-156.3158.2171.900000110.2I351A317-I351 HydrophobicContact CB-CB 4.28Å; A317-I351 HydrophobicContact CB-CD1 4.16Å; A317-I351 PolarHBondContact O-N 3.02Å
318S88.3Confident88.5Confident78 Ų7841.4 Ų41.455%0.54528%0.278SS..EExtended strand (participates in β ladder)trans-150.4156.2174.561.30000112.4C349S318-C349 CarbonylContact C-O 3.51Å; S318-C349 WeakPolarHBondContact CA-O 3.35Å; S318-C349 VanDerWaalsContact CB-O 3.28Å; S318-C349 WeakPolarHBondContact CB-O 3.15Å
319A79.9Confident88.1Confident23 Ų2341 Ų4119%0.1927%0.273CS..EExtended strand (participates in β ladder)trans-147.5158.3177.300000110.7V322 L330 A348 C349A319-V322 HydrophobicContact CB-CG1 3.9Å; A319-V322 HydrophobicContact CB-CG2 3.93Å; A319-L330 HydrophobicContact CB-CD1 3.77Å; A319-A348 CarbonylContact O-C 3.57Å; A319-A348 WeakPolarHBondContact O-CA 3.34Å; A319-C349 HydrophobicContact CB-CB 4.3Å; A319-C349 PolarHBondContact N-O 3.45Å; A319-C349 PolarHBondContact O-N 2.91Å
320V87.1Confident87.4Confident108 Ų10842.6 Ų42.666%0.65528%0.279SS*.EExtended strand (participates in β ladder)trans-138.6144-177.1-1760000109.6V322 L347 A348V320-V322 VanDerWaalsContact C-N 3.35Å; V320-L347 CarbonylContact C-O 3.59Å; V320-A348 HydrophobicContact CG1-CB 4.47Å; V320-A348 HydrophobicContact CG2-CB 4.14Å
321G79.5Confident86.9Confident35 Ų3542.6 Ų42.636%0.36128%0.279SS..SBendtrans8016.4-172.800000113.9Q177 L347Q177-G321 PolarHBondContact NE2-O 2.97Å; Q177-G321 VanDerWaalsContact NE2-O 3.14Å; G321-L347 PolarHBondContact N-O 3.46Å
322V81.2Confident86.1Confident26 Ų2644.2 Ų44.216%0.15829%0.286CS..  trans-107.3144.9-173.8-64.90000111A319 V320 D326 C327 Y342 L347 C349A319-V322 HydrophobicContact CB-CG1 3.9Å; A319-V322 HydrophobicContact CB-CG2 3.93Å; V320-V322 VanDerWaalsContact C-N 3.35Å; V322-D326 HydrophobicContact CB-CB 3.88Å; V322-D326 HydrophobicContact CG1-CB 4.41Å; V322-C327 HydrophobicContact CG2-CB 4.5Å; V322-Y342 WeakPolarHBondContact O-CE2 3.38Å; V322-Y342 PolarHBondContact O-OH 3.05Å; V322-L347 PolarHBondContact N-O 2.67Å; V322-L347 CarbonylContact O-C 3.43Å; V322-L347 WeakPolarHBondContact O-CB 3.29Å; V322-C349 HydrophobicContact CG2-CB 3.66Å
323T89.1Confident85.2Confident8 Ų845.8 Ų45.85%0.04929%0.294CS..  trans-77.3174.1175.5660000112.1S174 P176 S325 D326 C327 Y342S174-T323 WeakPolarHBondContact O-CG2 3.45Å; P176-T323 HydrophobicContact CG-CG2 4.38Å; T323-S325 VanDerWaalsContact C-N 3.31Å; T323-S325 WeakPolarHBondContact OG1-CB 3.32Å; T323-S325 PolarHBondContact OG1-N 3.31Å; T323-D326 WeakPolarHBondContact CB-OD2 3.31Å; T323-D326 WeakPolarHBondContact CG2-OD2 2.96Å; T323-D326 PolarHBondContact N-OD2 2.77Å; T323-D326 PolarHBondContact O-N 2.77Å; T323-D326 PolarHBondContact OG1-N 2.88Å; T323-D326 VanDerWaalsContact OG1-N 3.13Å; T323-D326 PolarHBondContact OG1-OD2 2.89Å; T323-C327 WeakPolarHBondContact O-CB 3.04Å; T323-C327 PolarHBondContact O-N 3.41Å; T323-Y342 WeakPolarHBondContact CA-OH 3.41Å
324V91.3Very high84.4Confident37 Ų3745 Ų4522%0.22428%0.277CS..Hα-helixtrans-58.8-44.3168.9179.60000110.5I211 D326 C327 I328 Y342 Y370I211-V324 HydrophobicContact CD1-CG1 3.88Å; V324-D326 PolarHBondContact O-N 2.85Å; V324-C327 PolarHBondContact O-N 2.81Å; V324-I328 HydrophobicContact CG1-CG1 4.03Å; V324-I328 WeakPolarHBondContact O-CB 3.19Å; V324-I328 VanDerWaalsContact O-CG1 3.28Å; V324-I328 WeakPolarHBondContact O-CG1 3.42Å; V324-I328 PolarHBondContact O-N 2.79Å; V324-Y342 HydrophobicContact CG2-CD1 3.72Å; V324-Y342 HydrophobicContact CG2-CD2 4.48Å; V324-Y342 HydrophobicContact CG2-CE1 3.49Å; V324-Y342 VanDerWaalsContact CG2-CE1 3.49Å; V324-Y342 HydrophobicContact CG2-CE2 4.29Å; V324-Y342 HydrophobicContact CG2-CG 4.2Å; V324-Y370 HydrophobicContact CG1-CE1 3.93Å
325S87.7Confident83.2Confident39 Ų3942.9 Ų42.927%0.27326%0.261SS..Hα-helixtrans-54.2-48.9175.1166.80000112.5C287 T323 S329C287-S325 PolarHBondContact O-OG 3.01Å; T323-S325 VanDerWaalsContact C-N 3.31Å; T323-S325 WeakPolarHBondContact OG1-CB 3.32Å; T323-S325 PolarHBondContact OG1-N 3.31Å; S325-S329 WeakPolarHBondContact O-CB 3.17Å; S325-S329 PolarHBondContact O-N 3.26Å; S325-S329 VanDerWaalsContact O-N 3.07Å; S325-S329 PolarHBondContact O-OG 2.04Å
326D85Confident82.6Confident50 Ų5044.5 Ų44.527%0.26727%0.267SS..Hα-helixtrans-64.5-45.2177.2-56.7-51000110.8V322 T323 V324 S329 L330V322-D326 HydrophobicContact CB-CB 3.88Å; V322-D326 HydrophobicContact CG1-CB 4.41Å; T323-D326 WeakPolarHBondContact CB-OD2 3.31Å; T323-D326 WeakPolarHBondContact CG2-OD2 2.96Å; T323-D326 PolarHBondContact N-OD2 2.77Å; T323-D326 PolarHBondContact O-N 2.77Å; T323-D326 PolarHBondContact OG1-N 2.88Å; T323-D326 VanDerWaalsContact OG1-N 3.13Å; T323-D326 PolarHBondContact OG1-OD2 2.89Å; V324-D326 PolarHBondContact O-N 2.85Å; D326-S329 WeakPolarHBondContact O-CB 3.35Å; D326-S329 PolarHBondContact O-N 2.84Å; D326-L330 WeakPolarHBondContact O-CG 3.46Å; D326-L330 PolarHBondContact O-N 2.58Å
327C89.4Confident82.5Confident2 Ų241.8 Ų41.81%0.01425%0.251CS..Hα-helixtrans-65.5-40.5-177.8-178.60000113.5V322 T323 V324 L330 C331 V340 Y342 C349V322-C327 HydrophobicContact CG2-CB 4.5Å; T323-C327 WeakPolarHBondContact O-CB 3.04Å; T323-C327 PolarHBondContact O-N 3.41Å; V324-C327 PolarHBondContact O-N 2.81Å; C327-L330 PolarHBondContact O-N 2.79Å; C327-C331 PolarHBondContact O-N 3.02Å; C327-V340 WeakPolarHBondContact SG-CG1 3.39Å; C327-Y342 HydrophobicContact CB-CD2 3.95Å; C327-Y342 HydrophobicContact CB-CE2 4.21Å; C327-C349 WeakPolarHBondContact CA-SG 3.2Å; C327-C349 HydrophobicContact CB-CB 3.64Å; C327-C349 WeakPolarHBondContact CB-SG 3.4Å; C327-C349 WeakPolarHBondContact SG-CB 3.15Å; C327-C349 CovalentContact SG-SG 2.03Å; C327-C349 PolarHBondContact SG-SG 3.07Å
328I88.7Confident82.9Confident1 Ų144.8 Ų44.81%0.00526%0.257CS..Hα-helixtrans-65.6-40.3172.3-69.6-58000110.5I211 V288 F303 V324 L330 C331 F332 Y370I211-I328 HydrophobicContact CD1-CG1 4.07Å; V288-I328 HydrophobicContact CG1-CG2 3.71Å; F303-I328 HydrophobicContact CD1-CD1 3.8Å; F303-I328 HydrophobicContact CD2-CD1 3.84Å; F303-I328 HydrophobicContact CD2-CG2 4.06Å; F303-I328 HydrophobicContact CE1-CD1 3.76Å; F303-I328 HydrophobicContact CE2-CD1 3.85Å; F303-I328 HydrophobicContact CE2-CG2 3.52Å; F303-I328 HydrophobicContact CG-CD1 3.84Å; F303-I328 HydrophobicContact CZ-CD1 3.78Å; F303-I328 HydrophobicContact CZ-CG2 4.08Å; V324-I328 HydrophobicContact CG1-CG1 4.03Å; V324-I328 WeakPolarHBondContact O-CB 3.19Å; V324-I328 VanDerWaalsContact O-CG1 3.28Å; V324-I328 WeakPolarHBondContact O-CG1 3.42Å; V324-I328 PolarHBondContact O-N 2.79Å; I328-L330 PolarHBondContact O-N 2.99Å; I328-C331 WeakPolarHBondContact O-CB 3.45Å; I328-C331 PolarHBondContact O-N 2.96Å; I328-F332 HydrophobicContact CG2-CD2 3.89Å; I328-F332 HydrophobicContact CG2-CE2 3.8Å; I328-F332 WeakPolarHBondContact O-CD2 3.28Å; I328-F332 PolarHBondContact O-N 3.37Å; I328-Y370 HydrophobicContact CD1-CD1 4.11Å; I328-Y370 HydrophobicContact CD1-CG 4.35Å
329S82.9Confident83.2Confident7 Ų741.1 Ų41.15%0.04923%0.231CC..Hα-helixtrans-62.2-41174.7-570000112.1V288 A289 S325 D326 C331 F332 Q333V288-S329 WeakPolarHBondContact CA-OG 3.43Å; A289-S329 PolarHBondContact N-OG 3.01Å; S325-S329 WeakPolarHBondContact O-CB 3.17Å; S325-S329 PolarHBondContact O-N 3.26Å; S325-S329 VanDerWaalsContact O-N 3.07Å; S325-S329 PolarHBondContact O-OG 2.04Å; D326-S329 WeakPolarHBondContact O-CB 3.35Å; D326-S329 PolarHBondContact O-N 2.84Å; S329-C331 VanDerWaalsContact C-N 3.33Å; S329-C331 PolarHBondContact O-N 3.4Å; S329-F332 PolarHBondContact O-N 2.97Å; S329-Q333 VanDerWaalsContact O-CG 3.28Å; S329-Q333 WeakPolarHBondContact O-CG 3.29Å; S329-Q333 PolarHBondContact O-N 3.21Å
330L80.7Confident83.9Confident60 Ų6040 Ų4031%0.31422%0.222SC..Hα-helixtrans-65.3-33174.5-69.9168.9000112.9A319 D326 C327 I328 N334 I351A319-L330 HydrophobicContact CB-CD1 3.77Å; D326-L330 WeakPolarHBondContact O-CG 3.46Å; D326-L330 PolarHBondContact O-N 2.58Å; C327-L330 PolarHBondContact O-N 2.79Å; I328-L330 PolarHBondContact O-N 2.99Å; L330-N334 WeakPolarHBondContact O-CB 3.19Å; L330-N334 PolarHBondContact O-N 2.82Å; L330-I351 HydrophobicContact CB-CD1 3.74Å
331C86Confident84.4Confident2 Ų235.2 Ų35.21%0.01419%0.193CC..Hα-helixtrans-67.1-46.4171.5169.40000111.5F303 C327 I328 S329 Q333 N334 C337 V340F303-C331 HydrophobicContact CE1-CB 4.49Å; F303-C331 HydrophobicContact CZ-CB 4.18Å; F303-C331 VanDerWaalsContact CZ-SG 3.5Å; C327-C331 PolarHBondContact O-N 3.02Å; I328-C331 WeakPolarHBondContact O-CB 3.45Å; I328-C331 PolarHBondContact O-N 2.96Å; S329-C331 VanDerWaalsContact C-N 3.33Å; S329-C331 PolarHBondContact O-N 3.4Å; C331-Q333 PolarHBondContact O-N 3.36Å; C331-N334 CarbonylContact O-C 3.57Å; C331-N334 PolarHBondContact O-N 2.78Å; C331-C337 HydrophobicContact CB-CB 3.99Å; C331-C337 WeakPolarHBondContact CB-SG 3.43Å; C331-C337 VanDerWaalsContact O-CB 3.32Å; C331-C337 WeakPolarHBondContact O-CB 3.43Å; C331-C337 WeakPolarHBondContact SG-CB 3.23Å; C331-C337 CovalentContact SG-SG 2.03Å; C331-C337 PolarHBondContact SG-SG 3.13Å; C331-V340 HydrophobicContact CB-CG2 3.67Å
332F79.4Confident85.3Confident36 Ų3634.2 Ų34.216%0.15818%0.178CC..Hα-helixtrans-58.1-36.1174.7-87.6-65.8000113.4V209 V288 A290 L292 C297 A302 F303 I328 S329 N334 F372V209-F332 HydrophobicContact CG1-CE2 3.88Å; V209-F332 HydrophobicContact CG1-CZ 3.85Å; V288-F332 HydrophobicContact CB-CD2 4.46Å; V288-F332 HydrophobicContact CG1-CD2 4.24Å; V288-F332 HydrophobicContact CG1-CE2 4.13Å; V288-F332 HydrophobicContact CG2-CE2 4.44Å; A290-F332 HydrophobicContact CB-CB 3.45Å; A290-F332 VanDerWaalsContact CB-CB 3.45Å; A290-F332 HydrophobicContact CB-CD1 4.45Å; A290-F332 HydrophobicContact CB-CD2 4.1Å; A290-F332 HydrophobicContact CB-CG 3.78Å; L292-F332 HydrophobicContact CD2-CD1 4.05Å; L292-F332 HydrophobicContact CD2-CE1 3.62Å; L292-F332 HydrophobicContact CD2-CE2 4.29Å; L292-F332 HydrophobicContact CD2-CZ 3.76Å; C297-F332 HydrophobicContact CB-CZ 4.45Å; C297-F332 VanDerWaalsContact SG-CE1 3.51Å; A302-F332 HydrophobicContact CB-CZ 4.07Å; F303-F332 HydrophobicContact CE2-CD2 4.35Å; F303-F332 AromaticContact CE2-CE2 3.75Å; F303-F332 HydrophobicContact CE2-CE2 3.75Å; F303-F332 HydrophobicContact CE2-CZ 4.04Å; I328-F332 HydrophobicContact CG2-CD2 3.89Å; I328-F332 HydrophobicContact CG2-CE2 3.8Å; I328-F332 WeakPolarHBondContact O-CD2 3.28Å; I328-F332 PolarHBondContact O-N 3.37Å; S329-F332 PolarHBondContact O-N 2.97Å; F332-N334 PolarHBondContact O-N 3.02Å; F332-F372 HydrophobicContact CD1-CE2 4.02Å; F332-F372 HydrophobicContact CD1-CZ 4.06Å; F332-F372 AromaticContact CE1-CE2 3.5Å; F332-F372 HydrophobicContact CE1-CE2 3.5Å; F332-F372 AromaticContact CE1-CZ 3.77Å; F332-F372 HydrophobicContact CE1-CZ 3.77Å; F332-F372 AromaticContact CZ-CE2 3.89Å; F332-F372 HydrophobicContact CZ-CE2 3.89Å
333Q73.3Confident85.9Confident119 Ų11933.9 Ų33.956%0.55618%0.176SC*.THydrogen-bonded Turntrans-75.1-9.6176.6-69.7166-0.900113.2S329 C331S329-Q333 VanDerWaalsContact O-CG 3.28Å; S329-Q333 WeakPolarHBondContact O-CG 3.29Å; S329-Q333 PolarHBondContact O-N 3.21Å; C331-Q333 PolarHBondContact O-N 3.36Å
334N71.9Confident86Confident32 Ų3238 Ų3817%0.17119%0.191CC..  trans-112.3103-179.2-171.3-32.6000110.4L330 C331 F332 N336 C337 I351L330-N334 WeakPolarHBondContact O-CB 3.19Å; L330-N334 PolarHBondContact O-N 2.82Å; C331-N334 CarbonylContact O-C 3.57Å; C331-N334 PolarHBondContact O-N 2.78Å; F332-N334 PolarHBondContact O-N 3.02Å; N334-N336 PolarHBondContact O-N 3.32Å; N334-N336 WeakPolarHBondContact OD1-CB 3.27Å; N334-N336 PolarHBondContact OD1-N 2.68Å; N334-C337 HydrophobicContact CB-CB 4.41Å; N334-C337 WeakPolarHBondContact O-CB 3.2Å; N334-C337 PolarHBondContact O-N 2.91Å; N334-I351 HydrophobicContact CB-CG2 4.44Å
335L66.5Low85.8Confident80 Ų8041.3 Ų41.342%0.41921%0.211SC..THydrogen-bonded Turntrans-60.4-17.3-179.1-55.7-173.9000114.8C337 M381L335-C337 VanDerWaalsContact C-N 3.33Å; L335-M381 HydrophobicContact CD1-CG 3.48Å; L335-M381 VanDerWaalsContact CD1-CG 3.48Å; L335-M381 HydrophobicContact CD1-SD 4.26Å; L335-M381 HydrophobicContact CG-CG 4.33Å
336N77.2Confident85.9Confident89 Ų8946.2 Ų46.248%0.47623%0.228SC..THydrogen-bonded Turntrans-86.4-3.8173.7-65.1-68.4000112.3V316 N334 K338 S353V316-N336 HydrophobicContact CG2-CB 4.49Å; N334-N336 PolarHBondContact O-N 3.32Å; N334-N336 WeakPolarHBondContact OD1-CB 3.27Å; N334-N336 PolarHBondContact OD1-N 2.68Å; N336-K338 PolarHBondContact O-N 3.41Å; N336-S353 WeakPolarHBondContact O-CA 3.31Å; N336-S353 WeakPolarHBondContact O-CB 3.41Å
337C85.3Confident86.1Confident8 Ų845.7 Ų45.75%0.05422%0.224CC..  trans-66.8124.8177.2-169.90000111.2C331 N334 L335 I351C331-C337 HydrophobicContact CB-CB 3.99Å; C331-C337 WeakPolarHBondContact CB-SG 3.43Å; C331-C337 VanDerWaalsContact O-CB 3.32Å; C331-C337 WeakPolarHBondContact O-CB 3.43Å; C331-C337 WeakPolarHBondContact SG-CB 3.23Å; C331-C337 CovalentContact SG-SG 2.03Å; C331-C337 PolarHBondContact SG-SG 3.13Å; N334-C337 HydrophobicContact CB-CB 4.41Å; N334-C337 WeakPolarHBondContact O-CB 3.2Å; N334-C337 PolarHBondContact O-N 2.91Å; L335-C337 VanDerWaalsContact C-N 3.33Å; C337-I351 HydrophobicContact CB-CG2 3.75Å
338K90.4Very high86.2Confident101 Ų10145.6 Ų45.644%0.43922%0.224SC..SBendtrans-121.2-18.5163.1-57-175.6-166.8143.60112.2N336 Y352 S353 N355 F372N336-K338 PolarHBondContact O-N 3.41Å; K338-Y352 PolarHBondContact N-O 3.37Å; K338-S353 VanDerWaalsContact CD-O 3.32Å; K338-S353 WeakPolarHBondContact CD-O 3.46Å; K338-S353 VanDerWaalsContact CE-O 3.31Å; K338-S353 WeakPolarHBondContact CE-O 3.44Å; K338-S353 PolarHBondContact NZ-O 2.62Å; K338-N355 HydrophobicContact CB-CB 4.09Å; K338-F372 WeakPolarHBondContact O-CB 3.49Å; K338-F372 PolarHBondContact O-N 2.74Å
339S94.4Very high86.4Confident0 Ų045.6 Ų45.60%022%0.224CC..EExtended strand (participates in β ladder)trans-162.4170.5172.465.70000113Y352 V354 Y369 Y370S339-Y352 PolarHBondContact N-O 3.45Å; S339-Y352 PolarHBondContact O-N 3.01Å; S339-V354 PolarHBondContact OG-O 2.86Å; S339-Y369 WeakPolarHBondContact CB-OH 3.18Å; S339-Y369 VanDerWaalsContact OG-CE2 3.31Å; S339-Y369 WeakPolarHBondContact OG-CE2 3.45Å; S339-Y369 PolarHBondContact OG-OH 3.23Å; S339-Y370 CarbonylContact C-O 3.58Å; S339-Y370 WeakPolarHBondContact CA-O 3.42Å; S339-Y370 VanDerWaalsContact CB-O 3.29Å; S339-Y370 WeakPolarHBondContact CB-O 3.08Å
340V95.7Very high87Confident0 Ų048.6 Ų48.60%024%0.235CC..EExtended strand (participates in β ladder)trans-139.7137.6-173.41780000110.2F303 C327 C331 Y350 I351 Y369 Y370F303-V340 HydrophobicContact CE1-CG2 4.49Å; C327-V340 WeakPolarHBondContact SG-CG1 3.39Å; C331-V340 HydrophobicContact CB-CG2 3.67Å; V340-Y350 CarbonylContact C-O 3.54Å; V340-Y350 VanDerWaalsContact CA-O 3.29Å; V340-Y350 WeakPolarHBondContact CA-O 3.3Å; V340-I351 HydrophobicContact CG2-CG1 4.31Å; V340-Y369 CarbonylContact O-C 3.43Å; V340-Y369 WeakPolarHBondContact O-CA 3.42Å; V340-Y370 PolarHBondContact N-O 3.21Å; V340-Y370 PolarHBondContact O-N 3.44Å
341N97.3Very high87.5Confident8 Ų845.9 Ų45.94%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-100.4126.1160.4-71.1-31000108.9A310 I311 Y350 Y352 T367A310-N341 WeakPolarHBondContact CA-OD1 3.24Å; I311-N341 PolarHBondContact N-OD1 2.57Å; I311-N341 PolarHBondContact O-ND2 2.6Å; N341-Y350 PolarHBondContact N-O 3.23Å; N341-Y350 PolarHBondContact O-N 3.15Å; N341-Y352 HydrophobicContact CB-CE2 3.85Å; N341-Y352 WeakPolarHBondContact ND2-CE2 3.47Å; N341-Y352 VanDerWaalsContact ND2-CZ 3.31Å; N341-Y352 PolarHBondContact ND2-OH 2.92Å; N341-T367 HydrophobicContact CB-CG2 3.79Å
342Y96.8Very high87.9Confident13 Ų1346.7 Ų46.75%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-115114.5174.5-175.2-99000111.3V322 T323 V324 C327 R344 L347 A348 T367 D368V322-Y342 WeakPolarHBondContact O-CE2 3.38Å; V322-Y342 PolarHBondContact O-OH 3.05Å; T323-Y342 WeakPolarHBondContact CA-OH 3.41Å; V324-Y342 HydrophobicContact CG2-CD1 3.72Å; V324-Y342 HydrophobicContact CG2-CD2 4.48Å; V324-Y342 HydrophobicContact CG2-CE1 3.49Å; V324-Y342 VanDerWaalsContact CG2-CE1 3.49Å; V324-Y342 HydrophobicContact CG2-CE2 4.29Å; V324-Y342 HydrophobicContact CG2-CG 4.2Å; C327-Y342 HydrophobicContact CB-CD2 3.95Å; C327-Y342 HydrophobicContact CB-CE2 4.21Å; Y342-R344 HydrophobicContact CD1-CG 4.26Å; Y342-R344 HydrophobicContact CE1-CG 4.4Å; Y342-R344 PolarHBondContact O-N 3.28Å; Y342-L347 VanDerWaalsContact OH-CD2 3.25Å; Y342-L347 WeakPolarHBondContact OH-CD2 3.23Å; Y342-A348 CarbonylContact C-O 3.56Å; Y342-A348 WeakPolarHBondContact CA-O 3.44Å; Y342-T367 WeakPolarHBondContact O-CA 3.44Å; Y342-D368 PolarHBondContact N-O 3.49Å; Y342-D368 PolarHBondContact O-N 3.33Å
343V95Very high88.4Confident20 Ų2047 Ų4712%0.12123%0.23CC..EExtended strand (participates in β ladder)trans-89.697.4-178.9-173.60000109.4T345 K346 L347 A348 Y350 T367V343-T345 VanDerWaalsContact C-N 3.33Å; V343-T345 PolarHBondContact O-N 2.71Å; V343-K346 HydrophobicContact CB-CB 4.48Å; V343-K346 HydrophobicContact CG1-CB 4.13Å; V343-K346 HydrophobicContact CG1-CD 4.32Å; V343-K346 HydrophobicContact CG1-CG 4.12Å; V343-K346 PolarHBondContact O-N 3.12Å; V343-K346 VanDerWaalsContact O-N 3.07Å; V343-L347 PolarHBondContact O-N 3.06Å; V343-A348 HydrophobicContact CB-CB 4.27Å; V343-A348 PolarHBondContact N-O 2.86Å; V343-A348 PolarHBondContact O-N 2.96Å; V343-Y350 HydrophobicContact CG2-CD2 4.16Å; V343-Y350 HydrophobicContact CG2-CE2 3.76Å; V343-T367 HydrophobicContact CG2-CG2 4.24Å
344R90.2Very high89.2Confident94 Ų9443.2 Ų43.236%0.35522%0.215SC..G310 helixtrans-50.3-48.6-174-66.5-173.9-79-140.15.4113.2Y342 K346 L347 P365 S366 D368Y342-R344 HydrophobicContact CD1-CG 4.26Å; Y342-R344 HydrophobicContact CE1-CG 4.4Å; Y342-R344 PolarHBondContact O-N 3.28Å; R344-K346 PolarHBondContact O-N 2.87Å; R344-L347 PolarHBondContact O-N 2.95Å; R344-P365 PolarHBondContact NH2-O 3.34Å; R344-S366 PolarHBondContact N-O 3.43Å; R344-D368 WeakPolarHBondContact CD-OD2 3.15Å; R344-D368 IonicContact CZ-OD1 3.06Å; R344-D368 IonicContact CZ-OD2 3.31Å; R344-D368 VanDerWaalsContact CZ-OD2 3.29Å; R344-D368 IonicContact NE-OD1 3.06Å; R344-D368 IonicContact NE-OD2 3.76Å; R344-D368 PolarHBondContact NE-OD2 3.32Å; R344-D368 IonicContact NH1-OD1 3.06Å; R344-D368 PolarHBondContact NH1-OD1 3.39Å; R344-D368 IonicContact NH1-OD2 3.12Å; R344-D368 PolarHBondContact NH1-OD2 3.41Å; R344-D368 IonicContact NH2-OD1 3.28Å; R344-D368 PolarHBondContact NH2-OD1 2.85Å
345T88.6Confident90.2Very high107 Ų10743.7 Ų43.766%0.65622%0.217SC*.G310 helixtrans-70.8-12.3-17552.50000114.5V343V343-T345 VanDerWaalsContact C-N 3.33Å; V343-T345 PolarHBondContact O-N 2.71Å
346K88.9Confident91.4Very high142 Ų14244 Ų4462%0.61722%0.215SC*.G310 helixtrans-118.1-3179.4-63.2-172.5179.4-177.60113.5V343 R344 A348V343-K346 HydrophobicContact CB-CB 4.48Å; V343-K346 HydrophobicContact CG1-CB 4.13Å; V343-K346 HydrophobicContact CG1-CD 4.32Å; V343-K346 HydrophobicContact CG1-CG 4.12Å; V343-K346 PolarHBondContact O-N 3.12Å; V343-K346 VanDerWaalsContact O-N 3.07Å; R344-K346 PolarHBondContact O-N 2.87Å; K346-A348 HydrophobicContact CB-CB 3.91Å; K346-A348 PolarHBondContact O-N 2.76Å
347L89Confident92.1Very high38 Ų3843.9 Ų43.920%0.19923%0.227CC..THydrogen-bonded Turntrans47.845.4-169.2-56.9179.5000110.9Q177 V320 G321 V322 Y342 V343 R344Q177-L347 HydrophobicContact CB-CD1 3.78Å; Q177-L347 HydrophobicContact CG-CD1 4.16Å; V320-L347 CarbonylContact C-O 3.59Å; G321-L347 PolarHBondContact N-O 3.46Å; V322-L347 PolarHBondContact N-O 2.67Å; V322-L347 CarbonylContact O-C 3.43Å; V322-L347 WeakPolarHBondContact O-CB 3.29Å; Y342-L347 VanDerWaalsContact OH-CD2 3.25Å; Y342-L347 WeakPolarHBondContact OH-CD2 3.23Å; V343-L347 PolarHBondContact O-N 3.06Å; R344-L347 PolarHBondContact O-N 2.95Å
348A92.1Very high92.3Very high1 Ų147.6 Ų47.61%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-115129-170.800000111.7A319 V320 Y342 V343 K346 Y350A319-A348 CarbonylContact O-C 3.57Å; A319-A348 WeakPolarHBondContact O-CA 3.34Å; V320-A348 HydrophobicContact CG1-CB 4.47Å; V320-A348 HydrophobicContact CG2-CB 4.14Å; Y342-A348 CarbonylContact C-O 3.56Å; Y342-A348 WeakPolarHBondContact CA-O 3.44Å; V343-A348 HydrophobicContact CB-CB 4.27Å; V343-A348 PolarHBondContact N-O 2.86Å; V343-A348 PolarHBondContact O-N 2.96Å; K346-A348 HydrophobicContact CB-CB 3.91Å; K346-A348 PolarHBondContact O-N 2.76Å; A348-Y350 HydrophobicContact CB-CE2 3.87Å
349C93.5Very high92.3Very high0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-106133.9-176.4-171.70000110S318 A319 V322 C327S318-C349 CarbonylContact C-O 3.51Å; S318-C349 WeakPolarHBondContact CA-O 3.35Å; S318-C349 VanDerWaalsContact CB-O 3.28Å; S318-C349 WeakPolarHBondContact CB-O 3.15Å; A319-C349 HydrophobicContact CB-CB 4.3Å; A319-C349 PolarHBondContact N-O 3.45Å; A319-C349 PolarHBondContact O-N 2.91Å; V322-C349 HydrophobicContact CG2-CB 3.66Å; C327-C349 WeakPolarHBondContact CA-SG 3.2Å; C327-C349 HydrophobicContact CB-CB 3.64Å; C327-C349 WeakPolarHBondContact CB-SG 3.4Å; C327-C349 WeakPolarHBondContact SG-CB 3.15Å; C327-C349 CovalentContact SG-SG 2.03Å; C327-C349 PolarHBondContact SG-SG 3.07Å
350Y95.5Very high92.3Very high70 Ų7049.5 Ų49.528%0.27527%0.268SS..EExtended strand (participates in β ladder)trans-133.8119.2173.6-58.8-87.9000108.9P315 V340 N341 V343 A348 Y352P315-Y350 HydrophobicContact CB-CD1 4.47Å; P315-Y350 HydrophobicContact CG-CD1 4.22Å; V340-Y350 CarbonylContact C-O 3.54Å; V340-Y350 VanDerWaalsContact CA-O 3.29Å; V340-Y350 WeakPolarHBondContact CA-O 3.3Å; N341-Y350 PolarHBondContact N-O 3.23Å; N341-Y350 PolarHBondContact O-N 3.15Å; V343-Y350 HydrophobicContact CG2-CD2 4.16Å; V343-Y350 HydrophobicContact CG2-CE2 3.76Å; A348-Y350 HydrophobicContact CB-CE2 3.87Å; Y350-Y352 VanDerWaalsContact O-CD2 3.32Å; Y350-Y352 WeakPolarHBondContact O-CD2 3.44Å; Y350-Y352 VanDerWaalsContact O-CE2 3.25Å; Y350-Y352 WeakPolarHBondContact O-CE2 3.06Å
351I90.8Very high92.2Very high4 Ų453 Ų532%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-102137.4-172.8-63.9168000109.1P315 V316 A317 L330 N334 C337 V340P315-I351 CarbonylContact C-O 3.52Å; P315-I351 WeakPolarHBondContact CA-O 3.43Å; P315-I351 WeakPolarHBondContact CB-O 3.47Å; V316-I351 HydrophobicContact CG2-CB 4.33Å; V316-I351 HydrophobicContact CG2-CG2 3.8Å; V316-I351 WeakPolarHBondContact CG2-O 3.24Å; V316-I351 PolarHBondContact N-O 3.42Å; A317-I351 HydrophobicContact CB-CB 4.28Å; A317-I351 HydrophobicContact CB-CD1 4.16Å; A317-I351 PolarHBondContact O-N 3.02Å; L330-I351 HydrophobicContact CB-CD1 3.74Å; N334-I351 HydrophobicContact CB-CG2 4.44Å; C337-I351 HydrophobicContact CB-CG2 3.75Å; V340-I351 HydrophobicContact CG2-CG1 4.31Å
352Y93.2Very high92Very high18 Ų1856.5 Ų56.57%0.07130%0.301CS..EExtended strand (participates in β ladder)trans-130.2146.3-173-64.2-94.2000112.7I311 P315 K338 S339 N341 Y350 V354I311-Y352 HydrophobicContact CG2-CD1 4.13Å; I311-Y352 HydrophobicContact CG2-CD2 3.71Å; I311-Y352 HydrophobicContact CG2-CE1 4.3Å; I311-Y352 HydrophobicContact CG2-CE2 3.92Å; I311-Y352 HydrophobicContact CG2-CG 3.83Å; P315-Y352 HydrophobicContact CB-CD1 4.47Å; P315-Y352 HydrophobicContact CB-CE1 4.09Å; P315-Y352 HydrophobicContact CB-CE2 4.48Å; K338-Y352 PolarHBondContact N-O 3.37Å; S339-Y352 PolarHBondContact N-O 3.45Å; S339-Y352 PolarHBondContact O-N 3.01Å; N341-Y352 HydrophobicContact CB-CE2 3.85Å; N341-Y352 WeakPolarHBondContact ND2-CE2 3.47Å; N341-Y352 VanDerWaalsContact ND2-CZ 3.31Å; N341-Y352 PolarHBondContact ND2-OH 2.92Å; Y350-Y352 VanDerWaalsContact O-CD2 3.32Å; Y350-Y352 WeakPolarHBondContact O-CD2 3.44Å; Y350-Y352 VanDerWaalsContact O-CE2 3.25Å; Y350-Y352 WeakPolarHBondContact O-CE2 3.06Å; Y352-V354 VanDerWaalsContact C-N 3.34Å; Y352-V354 HydrophobicContact CD1-CG2 4.46Å
353S90Very high91.8Very high43 Ų4362.1 Ų62.130%0.30133%0.332SS..SBendtrans-94.411.9174.258.10000115.1N336 K338N336-S353 WeakPolarHBondContact O-CA 3.31Å; N336-S353 WeakPolarHBondContact O-CB 3.41Å; K338-S353 VanDerWaalsContact CD-O 3.32Å; K338-S353 WeakPolarHBondContact CD-O 3.46Å; K338-S353 VanDerWaalsContact CE-O 3.31Å; K338-S353 WeakPolarHBondContact CE-O 3.44Å; K338-S353 PolarHBondContact NZ-O 2.62Å
354V91.6Very high91.8Very high39 Ų3963.6 Ų63.624%0.23634%0.339CS..  trans-118.1165.9171.4-700000109.5I311 S339 Y352 A359I311-V354 HydrophobicContact CD1-CG2 4.02Å; I311-V354 HydrophobicContact CG1-CG2 4.45Å; S339-V354 PolarHBondContact OG-O 2.86Å; Y352-V354 VanDerWaalsContact C-N 3.34Å; Y352-V354 HydrophobicContact CD1-CG2 4.46Å; V354-A359 HydrophobicContact CB-CB 3.84Å; V354-A359 HydrophobicContact CG1-CB 4.32Å; V354-A359 HydrophobicContact CG2-CB 3.69Å
355N92Very high91.9Very high42 Ų4263.6 Ų63.623%0.22535%0.352CS..  trans-140.9177.6-176.280.6-27.3000110I311 K338 A357 T358 A359 Y369 E371I311-N355 VanDerWaalsContact CD1-C 3.44Å; I311-N355 WeakPolarHBondContact CD1-O 3.47Å; K338-N355 HydrophobicContact CB-CB 4.09Å; N355-A357 PolarHBondContact O-N 3.32Å; N355-A357 PolarHBondContact OD1-N 3.27Å; N355-T358 PolarHBondContact N-OG1 3.25Å; N355-T358 PolarHBondContact O-N 3.05Å; N355-T358 PolarHBondContact O-OG1 2.83Å; N355-T358 PolarHBondContact OD1-N 3.07Å; N355-T358 PolarHBondContact OD1-OG1 2.8Å; N355-A359 PolarHBondContact O-N 2.9Å; N355-Y369 WeakPolarHBondContact CA-OH 3.38Å; N355-E371 HydrophobicContact CB-CG 4.27Å; N355-E371 WeakPolarHBondContact CB-OE1 3.4Å; N355-E371 PolarHBondContact ND2-OE1 3.06Å
356K92.5Very high92Very high86 Ų8661 Ų6137%0.37434%0.338SS..THydrogen-bonded Turntrans-64.9-16.1-171.282-160.5176.9-138.20113.9E304 F306 M361 Y369 E371E304-K356 IonicContact OE2-NZ 3.74Å; E304-K356 PolarHBondContact OE2-NZ 2.84Å; F306-K356 HydrophobicContact CE2-CD 4.01Å; F306-K356 HydrophobicContact CZ-CD 3.95Å; K356-M361 HydrophobicContact CB-CG 4.06Å; K356-M361 HydrophobicContact CB-SD 4.43Å; K356-Y369 HydrophobicContact CB-CE1 4.15Å; K356-Y369 PolarHBondContact N-OH 3.1Å; K356-Y369 VanDerWaalsContact N-OH 3.11Å; K356-E371 WeakPolarHBondContact CD-OE2 3.36Å; K356-E371 WeakPolarHBondContact CE-OE2 3.27Å; K356-E371 WeakPolarHBondContact CG-OE1 3.49Å; K356-E371 PolarHBondContact N-OE1 2.94Å; K356-E371 IonicContact NZ-OE2 2.91Å; K356-E371 PolarHBondContact NZ-OE2 3.22Å
357A90.4Very high92.3Very high87 Ų8754.4 Ų54.472%0.71931%0.31SS*.THydrogen-bonded Turntrans-88.6-10.5173.200000114.5N355N355-A357 PolarHBondContact O-N 3.32Å; N355-A357 PolarHBondContact OD1-N 3.27Å
358T90.9Very high92.6Very high87 Ų8752.9 Ų52.953%0.53430%0.302SS..THydrogen-bonded Turntrans-126.2-10.8-174.1510000115.2N355N355-T358 PolarHBondContact N-OG1 3.25Å; N355-T358 PolarHBondContact O-N 3.05Å; N355-T358 PolarHBondContact O-OG1 2.83Å; N355-T358 PolarHBondContact OD1-N 3.07Å; N355-T358 PolarHBondContact OD1-OG1 2.8Å
359A90.7Very high92.8Very high25 Ų2552.8 Ų52.821%0.20730%0.301CS..SBendtrans-145.8159.4169.600000112.6I311 Q312 V354 N355I311-A359 HydrophobicContact CD1-CB 4.06Å; I311-A359 HydrophobicContact CG1-CB 3.99Å; Q312-A359 WeakPolarHBondContact O-CB 3.04Å; V354-A359 HydrophobicContact CB-CB 3.84Å; V354-A359 HydrophobicContact CG1-CB 4.32Å; V354-A359 HydrophobicContact CG2-CB 3.69Å; N355-A359 PolarHBondContact O-N 2.9Å
360N93.3Very high93Very high116 Ų11653.1 Ų53.162%0.6230%0.302SS*.  trans-67135.9-172.8-68.1-23.1000112.6Q312Q312-N360 HydrophobicContact CB-CB 4.42Å; Q312-N360 PolarHBondContact N-O 2.82Å
361M93.2Very high92.9Very high72 Ų7250.4 Ų50.436%0.35529%0.292SS..EExtended strand (participates in β ladder)trans-93.3144.1170-72.4-66.5-72.100111.1I311 K356 Y369I311-M361 HydrophobicContact CB-SD 3.81Å; I311-M361 HydrophobicContact CG1-SD 4.18Å; K356-M361 HydrophobicContact CB-CG 4.06Å; K356-M361 HydrophobicContact CB-SD 4.43Å; M361-Y369 HydrophobicContact CE-CD1 3.32Å; M361-Y369 HydrophobicContact CE-CD2 4.24Å; M361-Y369 HydrophobicContact CE-CE1 3.87Å; M361-Y369 HydrophobicContact CE-CG 3.53Å; M361-Y369 HydrophobicContact SD-CD1 3.89Å; M361-Y369 HydrophobicContact SD-CD2 4.13Å; M361-Y369 HydrophobicContact SD-CE1 3.9Å; M361-Y369 HydrophobicContact SD-CE2 4.12Å; M361-Y369 HydrophobicContact SD-CG 4.01Å
362Q93.4Very high92.8Very high82 Ų8252.1 Ų52.138%0.38330%0.299SS..EExtended strand (participates in β ladder)trans-132.7148.3174.963.7-178.56.400111.2S309 A310 Q312S309-Q362 CarbonylContact C-O 3.52Å; S309-Q362 WeakPolarHBondContact CA-O 3.11Å; A310-Q362 HydrophobicContact CB-CG 4.14Å; A310-Q362 PolarHBondContact N-O 3.33Å; A310-Q362 WeakPolarHBondContact O-CG 3.41Å; A310-Q362 PolarHBondContact O-N 3.28Å; Q312-Q362 HydrophobicContact CG-CG 4.17Å
363N93.7Very high92.3Very high132 Ų13254.2 Ų54.271%0.70631%0.312SS*.EExtended strand (participates in β ladder)trans-71129.6170.1-176.1-31.3000109.5G308 P365G308-N363 PolarHBondContact O-OD1 3.06Å; N363-P365 WeakPolarHBondContact OD1-CD 3.3Å
364N94Very high91.4Very high50 Ų5052.7 Ų52.727%0.26730%0.301SS..  trans-150.796.3176.3179.7-18.2000109.7G308 A310 S366 T367G308-N364 CarbonylContact C-O 3.55Å; G308-N364 WeakPolarHBondContact CA-O 3.17Å; G308-N364 CarbonylContact O-C 3.57Å; G308-N364 PolarHBondContact O-N 2.77Å; A310-N364 HydrophobicContact CB-CB 4.12Å; N364-S366 PolarHBondContact O-N 3.02Å; N364-S366 PolarHBondContact OD1-N 3.04Å; N364-T367 VanDerWaalsContact CG-OG1 3.24Å; N364-T367 PolarHBondContact ND2-OG1 3.15Å; N364-T367 PolarHBondContact O-N 3.41Å; N364-T367 PolarHBondContact OD1-OG1 2.74Å
365P91.8Very high89.5Confident95 Ų9555.7 Ų55.762%0.61731%0.313SS*.THydrogen-bonded Turntrans-60.4-14.8-174.1-27.837000116.2R344 N363R344-P365 PolarHBondContact NH2-O 3.34Å; N363-P365 WeakPolarHBondContact OD1-CD 3.3Å
366S92.3Very high87.3Confident52 Ų5256.9 Ų56.936%0.36432%0.324SS..THydrogen-bonded Turntrans-89.1-8.5175.7-66.30000114.1R344 N364R344-S366 PolarHBondContact N-O 3.43Å; N364-S366 PolarHBondContact O-N 3.02Å; N364-S366 PolarHBondContact OD1-N 3.04Å
367T94.8Very high85.1Confident4 Ų458.7 Ų58.73%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-123.6140.7-172.6-50.60000110.1G308 S309 A310 N341 Y342 V343 N364G308-T367 CarbonylContact C-O 3.35Å; G308-T367 VanDerWaalsContact C-O 3.32Å; G308-T367 WeakPolarHBondContact CA-O 3.36Å; G308-T367 PolarHBondContact N-O 2.71Å; G308-T367 VanDerWaalsContact N-O 3.08Å; S309-T367 PolarHBondContact N-O 3.36Å; S309-T367 CarbonylContact O-C 3.58Å; A310-T367 HydrophobicContact CB-CG2 3.91Å; N341-T367 HydrophobicContact CB-CG2 3.79Å; Y342-T367 WeakPolarHBondContact O-CA 3.44Å; V343-T367 HydrophobicContact CG2-CG2 4.24Å; N364-T367 VanDerWaalsContact CG-OG1 3.24Å; N364-T367 PolarHBondContact ND2-OG1 3.15Å; N364-T367 PolarHBondContact O-N 3.41Å; N364-T367 PolarHBondContact OD1-OG1 2.74Å
368D95Very high83.1Confident5 Ų556.3 Ų56.33%0.02731%0.308CS..EExtended strand (participates in β ladder)trans-113135.6166.2-59.3-33.9000108.4R305 M307 G308 S309 Y342 R344 Y370R305-D368 HydrophobicContact CG-CB 4.45Å; M307-D368 WeakPolarHBondContact CA-OD1 3.45Å; M307-D368 WeakPolarHBondContact CB-OD1 3.12Å; G308-D368 PolarHBondContact N-OD1 3.04Å; S309-D368 CarbonylContact O-C 3.54Å; Y342-D368 PolarHBondContact N-O 3.49Å; Y342-D368 PolarHBondContact O-N 3.33Å; R344-D368 WeakPolarHBondContact CD-OD2 3.15Å; R344-D368 IonicContact CZ-OD1 3.06Å; R344-D368 IonicContact CZ-OD2 3.31Å; R344-D368 VanDerWaalsContact CZ-OD2 3.29Å; R344-D368 IonicContact NE-OD1 3.06Å; R344-D368 IonicContact NE-OD2 3.76Å; R344-D368 PolarHBondContact NE-OD2 3.32Å; R344-D368 IonicContact NH1-OD1 3.06Å; R344-D368 PolarHBondContact NH1-OD1 3.39Å; R344-D368 IonicContact NH1-OD2 3.12Å; R344-D368 PolarHBondContact NH1-OD2 3.41Å; R344-D368 IonicContact NH2-OD1 3.28Å; R344-D368 PolarHBondContact NH2-OD1 2.85Å; D368-Y370 HydrophobicContact CB-CE2 3.67Å; D368-Y370 WeakPolarHBondContact O-CD2 3.44Å; D368-Y370 WeakPolarHBondContact O-CE2 3.06Å
369Y96.9Very high81.3Confident0 Ų052.6 Ų52.60%029%0.287CS..EExtended strand (participates in β ladder)trans-96.7137.9178.9169.9-105.8000109.7R305 F306 S309 I311 S339 V340 N355 K356 M361 E371R305-Y369 CarbonylContact C-O 3.43Å; R305-Y369 WeakPolarHBondContact CA-O 3.25Å; F306-Y369 HydrophobicContact CB-CD1 4.05Å; F306-Y369 AromaticContact CD2-CD1 3.65Å; F306-Y369 HydrophobicContact CD2-CD1 3.65Å; F306-Y369 HydrophobicContact CD2-CE1 4.07Å; F306-Y369 HydrophobicContact CG-CD1 4.12Å; F306-Y369 PolarHBondContact N-O 3.15Å; F306-Y369 PolarHBondContact O-N 2.94Å; S309-Y369 WeakPolarHBondContact O-CB 3.32Å; S309-Y369 PolarHBondContact O-N 2.91Å; I311-Y369 HydrophobicContact CB-CD2 3.85Å; I311-Y369 HydrophobicContact CB-CE2 3.53Å; I311-Y369 HydrophobicContact CD1-CE2 3.92Å; I311-Y369 HydrophobicContact CG1-CE2 4.34Å; I311-Y369 HydrophobicContact CG2-CD2 3.94Å; I311-Y369 HydrophobicContact CG2-CE2 3.64Å; S339-Y369 WeakPolarHBondContact CB-OH 3.18Å; S339-Y369 VanDerWaalsContact OG-CE2 3.31Å; S339-Y369 WeakPolarHBondContact OG-CE2 3.45Å; S339-Y369 PolarHBondContact OG-OH 3.23Å; V340-Y369 CarbonylContact O-C 3.43Å; V340-Y369 WeakPolarHBondContact O-CA 3.42Å; N355-Y369 WeakPolarHBondContact CA-OH 3.38Å; K356-Y369 HydrophobicContact CB-CE1 4.15Å; K356-Y369 PolarHBondContact N-OH 3.1Å; K356-Y369 VanDerWaalsContact N-OH 3.11Å; M361-Y369 HydrophobicContact CE-CD1 3.32Å; M361-Y369 HydrophobicContact CE-CD2 4.24Å; M361-Y369 HydrophobicContact CE-CE1 3.87Å; M361-Y369 HydrophobicContact CE-CG 3.53Å; M361-Y369 HydrophobicContact SD-CD1 3.89Å; M361-Y369 HydrophobicContact SD-CD2 4.13Å; M361-Y369 HydrophobicContact SD-CE1 3.9Å; M361-Y369 HydrophobicContact SD-CE2 4.12Å; M361-Y369 HydrophobicContact SD-CG 4.01Å; Y369-E371 HydrophobicContact CE1-CB 3.86Å
370Y96.3Very high79.7Confident6 Ų652 Ų522%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-126.4113.3179.7-59.9-111.7000108I211 E304 R305 V324 I328 S339 V340 D368I211-Y370 HydrophobicContact CD1-CD1 4.3Å; I211-Y370 HydrophobicContact CD1-CE1 4Å; I211-Y370 HydrophobicContact CG2-CD1 3.94Å; I211-Y370 HydrophobicContact CG2-CE1 3.88Å; E304-Y370 WeakPolarHBondContact O-CA 3.28Å; R305-Y370 HydrophobicContact CB-CD1 3.99Å; R305-Y370 HydrophobicContact CB-CE1 3.92Å; R305-Y370 VanDerWaalsContact CD-OH 3.32Å; R305-Y370 WeakPolarHBondContact CD-OH 3.24Å; R305-Y370 HydrophobicContact CG-CD1 4.14Å; R305-Y370 HydrophobicContact CG-CE1 3.68Å; R305-Y370 HydrophobicContact CG-CE2 4.31Å; V324-Y370 HydrophobicContact CG1-CE1 3.93Å; I328-Y370 HydrophobicContact CD1-CD1 4.11Å; I328-Y370 HydrophobicContact CD1-CG 4.35Å; S339-Y370 CarbonylContact C-O 3.58Å; S339-Y370 WeakPolarHBondContact CA-O 3.42Å; S339-Y370 VanDerWaalsContact CB-O 3.29Å; S339-Y370 WeakPolarHBondContact CB-O 3.08Å; V340-Y370 PolarHBondContact N-O 3.21Å; V340-Y370 PolarHBondContact O-N 3.44Å; D368-Y370 HydrophobicContact CB-CE2 3.67Å; D368-Y370 WeakPolarHBondContact O-CD2 3.44Å; D368-Y370 WeakPolarHBondContact O-CE2 3.06Å
371E94Very high77.9Confident13 Ų1349.5 Ų49.56%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-86.8137.3172.3-166.6165.3-12600110F303 E304 N355 K356 Y369F303-E371 CarbonylContact C-O 3.46Å; F303-E371 WeakPolarHBondContact CA-O 3.44Å; F303-E371 WeakPolarHBondContact CB-O 3.24Å; F303-E371 WeakPolarHBondContact CD1-O 3.28Å; E304-E371 PolarHBondContact N-O 3.09Å; E304-E371 PolarHBondContact O-N 2.78Å; N355-E371 HydrophobicContact CB-CG 4.27Å; N355-E371 WeakPolarHBondContact CB-OE1 3.4Å; N355-E371 PolarHBondContact ND2-OE1 3.06Å; K356-E371 WeakPolarHBondContact CD-OE2 3.36Å; K356-E371 WeakPolarHBondContact CE-OE2 3.27Å; K356-E371 WeakPolarHBondContact CG-OE1 3.49Å; K356-E371 PolarHBondContact N-OE1 2.94Å; K356-E371 IonicContact NZ-OE2 2.91Å; K356-E371 PolarHBondContact NZ-OE2 3.22Å; Y369-E371 HydrophobicContact CE1-CB 3.86Å
372F88.7Confident76.7Confident40 Ų4046.5 Ų46.518%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-83.4115.9179.9-174.4-131.6000110F303 F332 K338 C374F303-F372 HydrophobicContact CD1-CB 4.24Å; F303-F372 HydrophobicContact CD1-CD2 4.25Å; F303-F372 HydrophobicContact CD2-CD2 4.3Å; F303-F372 HydrophobicContact CE1-CB 3.83Å; F303-F372 AromaticContact CE1-CD2 3.65Å; F303-F372 HydrophobicContact CE1-CD2 3.65Å; F303-F372 HydrophobicContact CE1-CG 4.15Å; F303-F372 AromaticContact CE2-CD2 3.65Å; F303-F372 HydrophobicContact CE2-CD2 3.65Å; F303-F372 AromaticContact CE2-CE2 3.98Å; F303-F372 HydrophobicContact CE2-CE2 3.98Å; F303-F372 HydrophobicContact CZ-CB 4.36Å; F303-F372 AromaticContact CZ-CD2 3.3Å; F303-F372 HydrophobicContact CZ-CD2 3.3Å; F303-F372 AromaticContact CZ-CE2 3.88Å; F303-F372 HydrophobicContact CZ-CE2 3.88Å; F303-F372 HydrophobicContact CZ-CG 4.17Å; F332-F372 HydrophobicContact CD1-CE2 4.02Å; F332-F372 HydrophobicContact CD1-CZ 4.06Å; F332-F372 AromaticContact CE1-CE2 3.5Å; F332-F372 HydrophobicContact CE1-CE2 3.5Å; F332-F372 AromaticContact CE1-CZ 3.77Å; F332-F372 HydrophobicContact CE1-CZ 3.77Å; F332-F372 AromaticContact CZ-CE2 3.89Å; F332-F372 HydrophobicContact CZ-CE2 3.89Å; K338-F372 WeakPolarHBondContact O-CB 3.49Å; K338-F372 PolarHBondContact O-N 2.74Å; F372-C374 HydrophobicContact CD2-CB 4.39Å; F372-C374 HydrophobicContact CE1-CB 4.29Å; F372-C374 HydrophobicContact CE2-CB 3.68Å; F372-C374 HydrophobicContact CZ-CB 3.63Å
373N83.4Confident75.5Confident62 Ų6245.2 Ų45.233%0.33225%0.25SS..  trans-102.8-9.1-173.4-74.46.6000113.5A302A302-N373 PolarHBondContact O-N 3.47Å
374C70.1Confident74.4Confident12 Ų1240 Ų408%0.08122%0.224CC..  trans-72.6138.5177.6-56.70000112C297 A302 F372 S376C297-C374 WeakPolarHBondContact CA-SG 3.31Å; C297-C374 HydrophobicContact CB-CB 4.35Å; C297-C374 WeakPolarHBondContact CB-SG 3.48Å; C297-C374 WeakPolarHBondContact SG-CB 3.49Å; C297-C374 CovalentContact SG-SG 2.02Å; C297-C374 PolarHBondContact SG-SG 3.38Å; A302-C374 WeakPolarHBondContact CA-SG 3.19Å; A302-C374 WeakPolarHBondContact CB-SG 3.5Å; F372-C374 HydrophobicContact CD2-CB 4.39Å; F372-C374 HydrophobicContact CE1-CB 4.29Å; F372-C374 HydrophobicContact CE2-CB 3.68Å; F372-C374 HydrophobicContact CZ-CB 3.63Å; C374-S376 PolarHBondContact O-N 2.97Å
375E52.2Low73.4Confident101 Ų10140 Ų4047%0.47223%0.226SC..  trans-86.999.9169.3-56.8-154.4109.600109T296 R396T296-E375 PolarHBondContact OG1-N 2.96Å; E375-R396 VanDerWaalsContact CD-NH1 3.27Å; E375-R396 IonicContact OE1-CZ 3.12Å; E375-R396 IonicContact OE1-NH1 2.82Å; E375-R396 PolarHBondContact OE1-NH1 3.41Å; E375-R396 IonicContact OE1-NH2 3.48Å; E375-R396 PolarHBondContact OE1-NH2 2.99Å
376S46.6Very low72.5Confident67 Ų6741.3 Ų41.347%0.46924%0.238SC..  trans-89.9113.1170.958.80000110.3C374C374-S376 PolarHBondContact O-N 2.97Å
377E45.6Very low72Confident124 Ų12445.3 Ų45.358%0.57925%0.25SS*.  trans-80.4-29.5-177.9-63.6-173.8141.300113.6T395 R396E377-T395 CarbonylContact O-C 3.49Å; E377-T395 VanDerWaalsContact O-CA 3.3Å; E377-T395 WeakPolarHBondContact O-CA 3.18Å; E377-R396 PolarHBondContact O-N 2.81Å
378F48Very low71.5Confident37 Ų3745.2 Ų45.216%0.16225%0.25CS..EExtended strand (participates in β ladder)trans-137.4137.1-175.2-66.4-98.2000111.4V393 T395 Y399 L452 R466F378-V393 HydrophobicContact CD1-CG1 4.45Å; F378-T395 HydrophobicContact CD1-CG2 3.37Å; F378-T395 HydrophobicContact CE1-CG2 3.49Å; F378-T395 VanDerWaalsContact CE1-CG2 3.49Å; F378-T395 HydrophobicContact CG-CG2 4.3Å; F378-T395 HydrophobicContact CZ-CG2 4.49Å; F378-Y399 AromaticContact CE1-CD2 3.44Å; F378-Y399 HydrophobicContact CE1-CD2 3.44Å; F378-Y399 VanDerWaalsContact CE1-CD2 3.44Å; F378-Y399 HydrophobicContact CE1-CE2 4.03Å; F378-Y399 AromaticContact CE1-CG 3.73Å; F378-Y399 HydrophobicContact CE1-CG 3.73Å; F378-Y399 AromaticContact CZ-CD2 3.65Å; F378-Y399 HydrophobicContact CZ-CD2 3.65Å; F378-Y399 HydrophobicContact CZ-CE2 4.37Å; F378-Y399 HydrophobicContact CZ-CG 4.22Å; F378-L452 HydrophobicContact CD1-CD2 3.68Å; F378-L452 HydrophobicContact CD2-CD1 4.12Å; F378-L452 HydrophobicContact CD2-CD2 4.36Å; F378-L452 HydrophobicContact CE1-CD2 3.4Å; F378-L452 HydrophobicContact CE2-CD1 4.38Å; F378-L452 HydrophobicContact CE2-CD2 4.14Å; F378-L452 HydrophobicContact CG-CD1 4.23Å; F378-L452 HydrophobicContact CG-CD2 4.18Å; F378-L452 HydrophobicContact CZ-CD2 3.67Å; F378-R466 PolarHBondContact O-NH1 3.41Å
379G53.3Low71Confident9 Ų945 Ų459%0.09325%0.249CC..EExtended strand (participates in β ladder)trans-147.6136.9170.500000112.7V393 N394G379-V393 WeakPolarHBondContact O-CA 3.38Å; G379-N394 PolarHBondContact N-O 2.79Å; G379-N394 PolarHBondContact O-N 2.82Å
380G56.8Low70.4Confident12 Ų1249.8 Ų49.812%0.12427%0.267CS..EExtended strand (participates in β ladder)trans-108.1138-179.700000113.2
381M56.2Low69.7Low64 Ų6449.5 Ų49.532%0.31527%0.266SS..EExtended strand (participates in β ladder)trans-123.8163.7170.9-53.8-175.6-64.600109.3L335 F391 I392L335-M381 HydrophobicContact CD1-CG 3.48Å; L335-M381 VanDerWaalsContact CD1-CG 3.48Å; L335-M381 HydrophobicContact CD1-SD 4.26Å; L335-M381 HydrophobicContact CG-CG 4.33Å; M381-F391 CarbonylContact O-C 3.54Å; M381-F391 WeakPolarHBondContact O-CA 3.44Å; M381-F391 WeakPolarHBondContact O-CD2 3.19Å; M381-I392 HydrophobicContact CE-CG2 4.32Å; M381-I392 PolarHBondContact N-O 3.27Å; M381-I392 PolarHBondContact O-N 2.73Å
382A66.6Low68.9Low10 Ų1049.8 Ų49.88%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-134.9164.5164.800000111.7I389 R390 F391 V470 V484A382-I389 HydrophobicContact CB-CG2 3.77Å; A382-R390 CarbonylContact C-O 3.58Å; A382-R390 WeakPolarHBondContact CA-O 3.33Å; A382-F391 HydrophobicContact CB-CD2 3.89Å; A382-V470 HydrophobicContact CB-CG1 3.45Å; A382-V470 VanDerWaalsContact CB-CG1 3.45Å; A382-V484 HydrophobicContact CB-CG1 3.73Å; A382-V484 HydrophobicContact CB-CG2 4.46Å
383L68.9Low68.2Low54 Ų5447.9 Ų47.928%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-136.5128.6175.6-65.3167.9000108.9T385 R390 I392L383-T385 PolarHBondContact O-N 2.97Å; L383-R390 PolarHBondContact N-O 2.75Å; L383-R390 PolarHBondContact O-N 3.13Å; L383-I392 HydrophobicContact CD1-CD1 3.86Å
384C70.7Confident67.2Low24 Ų2447.6 Ų47.616%0.16226%0.258CS..EExtended strand (participates in β ladder)trans-79.9116.4175.4-46.10000109.5C472 G482 V484C384-C472 WeakPolarHBondContact CA-SG 3.34Å; C384-C472 HydrophobicContact CB-CB 3.93Å; C384-C472 WeakPolarHBondContact CB-SG 3.22Å; C384-C472 VanDerWaalsContact SG-CA 3.54Å; C384-C472 WeakPolarHBondContact SG-CB 3.45Å; C384-C472 CovalentContact SG-SG 2.04Å; C384-C472 PolarHBondContact SG-SG 3.37Å; C384-G482 PolarHBondContact SG-O 3.27Å; C384-V484 WeakPolarHBondContact SG-CG2 3.28Å
385T73.7Confident66.8Low48 Ų4847.6 Ų47.629%0.29426%0.258SS..EExtended strand (participates in β ladder)trans-121.6167.1-178.272.60000111.2L383 E387 G388 R390L383-T385 PolarHBondContact O-N 2.97Å; T385-E387 PolarHBondContact O-N 3.33Å; T385-E387 VanDerWaalsContact O-N 3.17Å; T385-E387 PolarHBondContact OG1-N 3.04Å; T385-G388 PolarHBondContact N-O 3.07Å; T385-G388 PolarHBondContact O-N 2.88Å; T385-G388 VanDerWaalsContact O-N 3.08Å; T385-G388 PolarHBondContact OG1-N 3.33Å; T385-G388 PolarHBondContact OG1-O 3.32Å; T385-R390 HydrophobicContact CG2-CB 4.12Å
386S72.9Confident66.9Low124 Ų12448.8 Ų48.887%0.86726%0.258SS*.THydrogen-bonded Turntrans-60.8-18.7171.348.80000113.9
387E80.6Confident67.3Low135 Ų13551.3 Ų51.363%0.63126%0.262SS*.THydrogen-bonded Turntrans-95.8-2.6178.5-60.5178.5168.100112.7T385 T425 P427 P428T385-E387 PolarHBondContact O-N 3.33Å; T385-E387 VanDerWaalsContact O-N 3.17Å; T385-E387 PolarHBondContact OG1-N 3.04Å; E387-T425 HydrophobicContact CB-CG2 4.47Å; E387-P427 WeakPolarHBondContact O-CA 3.38Å; E387-P428 WeakPolarHBondContact O-CD 3.4Å
388G84.1Confident68.4Low2 Ų247.9 Ų47.92%0.02125%0.25CS..EExtended strand (participates in β ladder)trans119-159.6-176.700000114.1T385 R390 F426T385-G388 PolarHBondContact N-O 3.07Å; T385-G388 PolarHBondContact O-N 2.88Å; T385-G388 VanDerWaalsContact O-N 3.08Å; T385-G388 PolarHBondContact OG1-N 3.33Å; T385-G388 PolarHBondContact OG1-O 3.32Å; G388-R390 PolarHBondContact O-N 2.65Å; G388-F426 WeakPolarHBondContact CA-O 3.42Å
389I85.2Confident69.5Low0 Ų046.9 Ų46.90%025%0.246CC..EExtended strand (participates in β ladder)trans-83.4109.6-179.7-53.7-172000108.9A382 F391 T425 F426 L444 A446 V470 C472A382-I389 HydrophobicContact CB-CG2 3.77Å; I389-F391 PolarHBondContact O-N 3.06Å; I389-T425 CarbonylContact O-C 3.6Å; I389-T425 WeakPolarHBondContact O-CA 3.25Å; I389-F426 HydrophobicContact CB-CB 4.38Å; I389-F426 PolarHBondContact N-O 2.92Å; I389-F426 PolarHBondContact O-N 3.04Å; I389-L444 HydrophobicContact CD1-CD2 4.34Å; I389-L444 HydrophobicContact CD1-CG 4.03Å; I389-L444 HydrophobicContact CG1-CD2 3.77Å; I389-L444 HydrophobicContact CG1-CG 4.03Å; I389-A446 HydrophobicContact CD1-CB 4.02Å; I389-V470 HydrophobicContact CD1-CG1 4.26Å; I389-V470 HydrophobicContact CG2-CB 4.34Å; I389-V470 HydrophobicContact CG2-CG1 3.59Å; I389-C472 HydrophobicContact CD1-CB 4.08Å; I389-C472 HydrophobicContact CG1-CB 4.08Å
390R84.7Confident70.7Confident101 Ų10150.1 Ų50.138%0.38126%0.264SS..EExtended strand (participates in β ladder)trans-89.999.6173.3-171.3176.473.2-1703.2109.8A382 L383 T385 G388 V423A382-R390 CarbonylContact C-O 3.58Å; A382-R390 WeakPolarHBondContact CA-O 3.33Å; L383-R390 PolarHBondContact N-O 2.75Å; L383-R390 PolarHBondContact O-N 3.13Å; T385-R390 HydrophobicContact CG2-CB 4.12Å; G388-R390 PolarHBondContact O-N 2.65Å; R390-V423 HydrophobicContact CG-CG1 3.79Å
391F82Confident71.9Confident0 Ų049.5 Ų49.50%026%0.258CS..EExtended strand (participates in β ladder)trans-81.4141175.7-161.3-107.3000110.8M381 A382 I389 V393 I403 V423 M424 F426 V448 V450 Y468 V470 V486M381-F391 CarbonylContact O-C 3.54Å; M381-F391 WeakPolarHBondContact O-CA 3.44Å; M381-F391 WeakPolarHBondContact O-CD2 3.19Å; A382-F391 HydrophobicContact CB-CD2 3.89Å; I389-F391 PolarHBondContact O-N 3.06Å; F391-V393 HydrophobicContact CD1-CG2 3.83Å; F391-V393 HydrophobicContact CE1-CG2 3.44Å; F391-V393 VanDerWaalsContact CE1-CG2 3.44Å; F391-V393 HydrophobicContact CZ-CG2 4.48Å; F391-I403 HydrophobicContact CD1-CD1 3.72Å; F391-I403 HydrophobicContact CE1-CD1 4.18Å; F391-V423 WeakPolarHBondContact O-CA 3.44Å; F391-M424 PolarHBondContact N-O 3.32Å; F391-M424 PolarHBondContact O-N 2.93Å; F391-F426 HydrophobicContact CB-CD2 4.17Å; F391-F426 HydrophobicContact CB-CE2 3.74Å; F391-V448 HydrophobicContact CD1-CG1 3.91Å; F391-V448 HydrophobicContact CE1-CG1 3.98Å; F391-V448 HydrophobicContact CG-CG1 4.41Å; F391-V448 HydrophobicContact CG-CG2 4.45Å; F391-V450 HydrophobicContact CE1-CG2 4.49Å; F391-Y468 HydrophobicContact CE1-CD2 4.09Å; F391-Y468 HydrophobicContact CE1-CE2 4.42Å; F391-Y468 HydrophobicContact CE1-CG 4.43Å; F391-Y468 HydrophobicContact CE2-CG 4.3Å; F391-Y468 HydrophobicContact CZ-CD1 4.01Å; F391-Y468 AromaticContact CZ-CD2 3.68Å; F391-Y468 HydrophobicContact CZ-CD2 3.68Å; F391-Y468 HydrophobicContact CZ-CE1 4.47Å; F391-Y468 HydrophobicContact CZ-CE2 4.17Å; F391-Y468 AromaticContact CZ-CG 3.58Å; F391-Y468 HydrophobicContact CZ-CG 3.58Å; F391-V470 HydrophobicContact CD2-CG2 3.7Å; F391-V470 HydrophobicContact CE2-CG2 3.61Å; F391-V486 HydrophobicContact CE2-CG1 4.42Å
392I75.8Confident73.4Confident19 Ų1946.5 Ų46.510%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-135.3114.7-177-56.2179.4000108.3M381 L383 Q421 I422 V423M381-I392 HydrophobicContact CE-CG2 4.32Å; M381-I392 PolarHBondContact N-O 3.27Å; M381-I392 PolarHBondContact O-N 2.73Å; L383-I392 HydrophobicContact CD1-CD1 3.86Å; I392-Q421 HydrophobicContact CG2-CG 4.1Å; I392-I422 CarbonylContact C-O 3.49Å; I392-I422 VanDerWaalsContact CA-O 3.28Å; I392-I422 WeakPolarHBondContact CA-O 3.44Å; I392-V423 HydrophobicContact CG1-CG1 4.32Å; I392-V423 HydrophobicContact CG1-CG2 4.27Å; I392-V423 HydrophobicContact CG2-CG2 4.36Å
393V73.9Confident74.5Confident1 Ų146 Ų461%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-99.4128.4170.1-172.70000108.3F378 G379 F391 T395 I403 Q421 I422 V450F378-V393 HydrophobicContact CD1-CG1 4.45Å; G379-V393 WeakPolarHBondContact O-CA 3.38Å; F391-V393 HydrophobicContact CD1-CG2 3.83Å; F391-V393 HydrophobicContact CE1-CG2 3.44Å; F391-V393 VanDerWaalsContact CE1-CG2 3.44Å; F391-V393 HydrophobicContact CZ-CG2 4.48Å; V393-T395 HydrophobicContact CG1-CG2 4.02Å; V393-I403 HydrophobicContact CG2-CD1 4.07Å; V393-Q421 CarbonylContact O-C 3.59Å; V393-Q421 WeakPolarHBondContact O-CA 3.36Å; V393-I422 HydrophobicContact CB-CB 3.98Å; V393-I422 HydrophobicContact CB-CD1 3.84Å; V393-I422 HydrophobicContact CB-CG1 3.97Å; V393-I422 HydrophobicContact CG1-CD1 4.1Å; V393-I422 HydrophobicContact CG2-CB 4.43Å; V393-I422 HydrophobicContact CG2-CD1 4.27Å; V393-I422 PolarHBondContact N-O 2.96Å; V393-I422 PolarHBondContact O-N 2.59Å; V393-V450 HydrophobicContact CG2-CG2 3.97Å
394N64.2Low75.6Confident56 Ų5643.7 Ų43.730%0.29923%0.226SC..EExtended strand (participates in β ladder)trans-104.3138167.7-66.4-33000108.6G379 Q421G379-N394 PolarHBondContact N-O 2.79Å; G379-N394 PolarHBondContact O-N 2.82Å; N394-Q421 PolarHBondContact OD1-NE2 2.65Å
395T60.4Low76.5Confident12 Ų1242.6 Ų42.67%0.07422%0.219CC..EExtended strand (participates in β ladder)trans-126143.4-18071.10000109.8E377 F378 V393 E397 Y399 A419 K420E377-T395 CarbonylContact O-C 3.49Å; E377-T395 VanDerWaalsContact O-CA 3.3Å; E377-T395 WeakPolarHBondContact O-CA 3.18Å; F378-T395 HydrophobicContact CD1-CG2 3.37Å; F378-T395 HydrophobicContact CE1-CG2 3.49Å; F378-T395 VanDerWaalsContact CE1-CG2 3.49Å; F378-T395 HydrophobicContact CG-CG2 4.3Å; F378-T395 HydrophobicContact CZ-CG2 4.49Å; V393-T395 HydrophobicContact CG1-CG2 4.02Å; T395-E397 WeakPolarHBondContact CB-O 3.49Å; T395-E397 PolarHBondContact OG1-O 3.14Å; T395-Y399 HydrophobicContact CG2-CG 4.47Å; T395-A419 PolarHBondContact OG1-O 3.43Å; T395-K420 PolarHBondContact N-O 3.41Å; T395-K420 WeakPolarHBondContact OG1-CA 3.28Å
396R53.8Low77.1Confident126 Ų12641.1 Ų41.148%0.47521%0.212SC..EExtended strand (participates in β ladder)trans-66.9-47.6-176.7-178.9172170.8176.1-9.9111.4E375 E377 K420E375-R396 VanDerWaalsContact CD-NH1 3.27Å; E375-R396 IonicContact OE1-CZ 3.12Å; E375-R396 IonicContact OE1-NH1 2.82Å; E375-R396 PolarHBondContact OE1-NH1 3.41Å; E375-R396 IonicContact OE1-NH2 3.48Å; E375-R396 PolarHBondContact OE1-NH2 2.99Å; E377-R396 PolarHBondContact O-N 2.81Å; R396-K420 WeakPolarHBondContact O-CE 3.07Å; R396-K420 PolarHBondContact O-NZ 3.46Å
397E56Low77.6Confident120 Ų12042.6 Ų42.656%0.56121%0.21SC*.EExtended strand (participates in β ladder)trans-109.4163.6172.3-66.6-47.2135.400112.1T395 Y399 K420T395-E397 WeakPolarHBondContact CB-O 3.49Å; T395-E397 PolarHBondContact OG1-O 3.14Å; E397-Y399 PolarHBondContact O-N 3.08Å; E397-Y399 VanDerWaalsContact O-N 3.11Å; E397-K420 VanDerWaalsContact CD-NZ 3.27Å; E397-K420 IonicContact OE1-NZ 3.42Å; E397-K420 PolarHBondContact OE1-NZ 2.79Å; E397-K420 WeakPolarHBondContact OE2-CE 3.34Å; E397-K420 IonicContact OE2-NZ 3.31Å; E397-K420 PolarHBondContact OE2-NZ 2.9Å
398P68.8Low78Confident51 Ų5141 Ų4133%0.33120%0.198SC..EExtended strand (participates in β ladder)trans-65.6113.5-175.5-16.731.6000110.5N418 K420P398-N418 HydrophobicContact CB-CB 4.47Å; P398-N418 WeakPolarHBondContact CB-OD1 3.39Å; P398-K420 HydrophobicContact CB-CG 4.34Å; P398-K420 HydrophobicContact CG-CG 4.08Å
399Y70.5Confident78Confident16 Ų1641.9 Ų41.96%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-86.9148.1-178.1156.3-96.7000111.6F378 T395 E397 G401 A402 V416 N418 A419 I422 S451 L452F378-Y399 AromaticContact CE1-CD2 3.44Å; F378-Y399 HydrophobicContact CE1-CD2 3.44Å; F378-Y399 VanDerWaalsContact CE1-CD2 3.44Å; F378-Y399 HydrophobicContact CE1-CE2 4.03Å; F378-Y399 AromaticContact CE1-CG 3.73Å; F378-Y399 HydrophobicContact CE1-CG 3.73Å; F378-Y399 AromaticContact CZ-CD2 3.65Å; F378-Y399 HydrophobicContact CZ-CD2 3.65Å; F378-Y399 HydrophobicContact CZ-CE2 4.37Å; F378-Y399 HydrophobicContact CZ-CG 4.22Å; T395-Y399 HydrophobicContact CG2-CG 4.47Å; E397-Y399 PolarHBondContact O-N 3.08Å; E397-Y399 VanDerWaalsContact O-N 3.11Å; Y399-G401 WeakPolarHBondContact OH-CA 3.48Å; Y399-A402 PolarHBondContact OH-N 3.16Å; Y399-A402 PolarHBondContact OH-O 3.28Å; Y399-A402 VanDerWaalsContact OH-O 3.06Å; Y399-V416 HydrophobicContact CD1-CB 4.07Å; Y399-V416 HydrophobicContact CD1-CG1 3.77Å; Y399-V416 HydrophobicContact CE1-CB 3.78Å; Y399-V416 HydrophobicContact CE1-CG1 4Å; Y399-V416 HydrophobicContact CE1-CG2 4.11Å; Y399-N418 WeakPolarHBondContact O-CA 3.28Å; Y399-N418 PolarHBondContact O-N 2.03Å; Y399-A419 PolarHBondContact N-O 2.95Å; Y399-A419 PolarHBondContact O-N 2.85Å; Y399-I422 HydrophobicContact CD1-CD1 3.48Å; Y399-I422 VanDerWaalsContact CD1-CD1 3.48Å; Y399-I422 HydrophobicContact CD1-CG1 4.21Å; Y399-I422 HydrophobicContact CE1-CD1 3.39Å; Y399-I422 HydrophobicContact CE1-CG1 4.44Å; Y399-S451 WeakPolarHBondContact CE2-O 3.4Å; Y399-S451 VanDerWaalsContact CZ-O 3.29Å; Y399-S451 PolarHBondContact OH-O 2.59Å; Y399-L452 HydrophobicContact CD2-CD2 4.36Å; Y399-L452 HydrophobicContact CE2-CD2 3.8Å
400T78Confident78.1Confident77 Ų7746.5 Ų46.547%0.47224%0.24SC..EExtended strand (participates in β ladder)trans-131.6130.6172.1-59.40000108.9V416 N418T400-V416 CarbonylContact C-O 3.47Å; T400-V416 VanDerWaalsContact CA-O 3.24Å; T400-V416 WeakPolarHBondContact CA-O 3.35Å; T400-N418 PolarHBondContact OG1-N 2.96Å
401G83.8Confident78.3Confident0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans162.7-144.6-173.400000111.7Y399 V416Y399-G401 WeakPolarHBondContact OH-CA 3.48Å; G401-V416 PolarHBondContact N-O 3.29Å; G401-V416 PolarHBondContact O-N 3.12Å
402A86.5Confident78.8Confident0 Ų045.9 Ų45.90%025%0.247CC..EExtended strand (participates in β ladder)trans-140.2156.2173.200000113.7Y399 Y404 F409 K414 S451 H458Y399-A402 PolarHBondContact OH-N 3.16Å; Y399-A402 PolarHBondContact OH-O 3.28Å; Y399-A402 VanDerWaalsContact OH-O 3.06Å; A402-Y404 HydrophobicContact CB-CD1 4.35Å; A402-F409 HydrophobicContact CB-CE2 4.09Å; A402-F409 HydrophobicContact CB-CZ 4.45Å; A402-K414 WeakPolarHBondContact CA-O 3.36Å; A402-S451 PolarHBondContact O-N 2.55Å; A402-H458 HydrophobicContact CB-CB 3.59Å
403I90.3Very high79.6Confident0 Ų048.9 Ų48.90%026%0.261CS..EExtended strand (participates in β ladder)trans-119.4139164.1-175.6168.8000109.2F391 V393 H413 K414 V416 I422 M424 V448 V449 V450F391-I403 HydrophobicContact CD1-CD1 3.72Å; F391-I403 HydrophobicContact CE1-CD1 4.18Å; V393-I403 HydrophobicContact CG2-CD1 4.07Å; I403-H413 CarbonylContact O-C 3.55Å; I403-H413 WeakPolarHBondContact O-CA 3.19Å; I403-K414 HydrophobicContact CG2-CB 3.91Å; I403-K414 HydrophobicContact CG2-CG 4.4Å; I403-K414 PolarHBondContact N-O 2.94Å; I403-K414 PolarHBondContact O-N 2.85Å; I403-V416 HydrophobicContact CG2-CG2 4.32Å; I403-I422 HydrophobicContact CB-CG2 4.25Å; I403-I422 HydrophobicContact CD1-CG2 4.38Å; I403-I422 HydrophobicContact CG2-CG2 3.55Å; I403-M424 HydrophobicContact CB-SD 4.33Å; I403-M424 HydrophobicContact CD1-CB 4.24Å; I403-M424 HydrophobicContact CG1-SD 3.99Å; I403-M424 HydrophobicContact CG2-CB 4.27Å; I403-M424 HydrophobicContact CG2-SD 3.74Å; I403-V448 HydrophobicContact CD1-CG1 3.78Å; I403-V448 HydrophobicContact CG1-CG1 3.75Å; I403-V449 CarbonylContact C-O 3.53Å; I403-V449 WeakPolarHBondContact CA-O 3.33Å; I403-V450 HydrophobicContact CD1-CG2 4.05Å; I403-V450 HydrophobicContact CG1-CG2 4.07Å
404Y91.6Very high80.5Confident5 Ų553.4 Ų53.42%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-151.9164.8-175.351.1-80.8000112.7A402 F409 C412 V448 V449 T461 D465A402-Y404 HydrophobicContact CB-CD1 4.35Å; Y404-F409 AromaticContact CD1-CD2 3.61Å; Y404-F409 HydrophobicContact CD1-CD2 3.61Å; Y404-F409 AromaticContact CD1-CE2 3.77Å; Y404-F409 HydrophobicContact CD1-CE2 3.77Å; Y404-F409 HydrophobicContact CD2-CB 4.18Å; Y404-F409 AromaticContact CD2-CD2 3.77Å; Y404-F409 HydrophobicContact CD2-CD2 3.77Å; Y404-F409 HydrophobicContact CD2-CG 4.46Å; Y404-F409 HydrophobicContact CE1-CD2 4.03Å; Y404-F409 HydrophobicContact CE1-CE2 4.19Å; Y404-F409 HydrophobicContact CE2-CD2 4.16Å; Y404-F409 HydrophobicContact CG-CB 4.48Å; Y404-F409 AromaticContact CG-CD2 3.47Å; Y404-F409 HydrophobicContact CG-CD2 3.47Å; Y404-F409 VanDerWaalsContact CG-CD2 3.47Å; Y404-F409 HydrophobicContact CG-CE2 4.06Å; Y404-F409 HydrophobicContact CG-CG 4.37Å; Y404-C412 WeakPolarHBondContact CA-O 3.48Å; Y404-C412 WeakPolarHBondContact CB-O 3.18Å; Y404-V448 CarbonylContact O-C 3.51Å; Y404-V448 WeakPolarHBondContact O-CA 3.15Å; Y404-V449 HydrophobicContact CD1-CB 4.34Å; Y404-V449 HydrophobicContact CD2-CB 3.85Å; Y404-V449 HydrophobicContact CD2-CG2 4.2Å; Y404-V449 HydrophobicContact CE1-CB 4.08Å; Y404-V449 HydrophobicContact CE1-CG1 4Å; Y404-V449 HydrophobicContact CE2-CB 3.56Å; Y404-V449 HydrophobicContact CE2-CG1 3.81Å; Y404-V449 HydrophobicContact CE2-CG2 3.93Å; Y404-V449 HydrophobicContact CG-CB 4.23Å; Y404-V449 VanDerWaalsContact CZ-CG1 3.48Å; Y404-V449 PolarHBondContact N-O 2.01Å; Y404-V449 PolarHBondContact O-N 3.01Å; Y404-V449 WeakPolarHBondContact OH-CG1 3.45Å; Y404-T461 WeakPolarHBondContact OH-CB 3.39Å; Y404-T461 WeakPolarHBondContact OH-CG2 3.41Å; Y404-T461 PolarHBondContact OH-OG1 3.04Å; Y404-D465 PolarHBondContact OH-OD2 2.88Å; Y404-D465 VanDerWaalsContact OH-OD2 3.1Å
405A90.8Very high81.7Confident1 Ų154.5 Ų54.51%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-80.4138.316500000110R408 C412 F426 C435 M447A405-R408 HydrophobicContact CB-CB 3.66Å; A405-R408 HydrophobicContact CB-CG 4.39Å; A405-R408 CarbonylContact O-C 3.6Å; A405-R408 PolarHBondContact O-N 3.43Å; A405-C412 HydrophobicContact CB-CB 4.06Å; A405-C412 PolarHBondContact N-O 2.77Å; A405-F426 HydrophobicContact CB-CD1 4.15Å; A405-F426 HydrophobicContact CB-CE1 3.85Å; A405-C435 HydrophobicContact CB-CB 4.32Å; A405-C435 WeakPolarHBondContact CB-O 3.01Å; A405-M447 WeakPolarHBondContact CA-O 3.33Å
406A84.7Confident82.9Confident17 Ų1754.3 Ų54.314%0.1429%0.288CS..THydrogen-bonded Turntrans-56.3141.7174.600000110.7R408 M447 V449A406-R408 WeakPolarHBondContact O-CG 3.44Å; A406-R408 PolarHBondContact O-N 2.65Å; A406-M447 HydrophobicContact CB-CB 3.73Å; A406-M447 HydrophobicContact CB-CE 4.29Å; A406-M447 PolarHBondContact N-O 3.23Å; A406-V449 HydrophobicContact CB-CG2 3.93Å
407D84.6Confident84.3Confident155 Ų15554.2 Ų54.283%0.82930%0.297SS*.THydrogen-bonded Turntrans52.815.5-173.1-54.6-30.4000115.5
408R88.2Confident85.6Confident101 Ų10154.1 Ų54.138%0.38130%0.301SS..  trans-139.116.7-169.1-68.8-62.9179.7-73.5-7.7114.2A405 A406 A410 T411 C412A405-R408 HydrophobicContact CB-CB 3.66Å; A405-R408 HydrophobicContact CB-CG 4.39Å; A405-R408 CarbonylContact O-C 3.6Å; A405-R408 PolarHBondContact O-N 3.43Å; A406-R408 WeakPolarHBondContact O-CG 3.44Å; A406-R408 PolarHBondContact O-N 2.65Å; R408-A410 PolarHBondContact O-N 3.39Å; R408-A410 VanDerWaalsContact O-N 3.14Å; R408-T411 PolarHBondContact O-N 3.43Å; R408-T411 PolarHBondContact O-OG1 2.83Å; R408-C412 HydrophobicContact CB-CB 4.38Å; R408-C412 PolarHBondContact O-N 3.47Å
409F84.9Confident86.2Confident21 Ų2153 Ų539%0.09230%0.295CS..THydrogen-bonded Turntrans-48.4-47.1178-167.4-68.7000112.1A402 Y404 T411 H413 H458 Q459A402-F409 HydrophobicContact CB-CE2 4.09Å; A402-F409 HydrophobicContact CB-CZ 4.45Å; Y404-F409 AromaticContact CD1-CD2 3.61Å; Y404-F409 HydrophobicContact CD1-CD2 3.61Å; Y404-F409 AromaticContact CD1-CE2 3.77Å; Y404-F409 HydrophobicContact CD1-CE2 3.77Å; Y404-F409 HydrophobicContact CD2-CB 4.18Å; Y404-F409 AromaticContact CD2-CD2 3.77Å; Y404-F409 HydrophobicContact CD2-CD2 3.77Å; Y404-F409 HydrophobicContact CD2-CG 4.46Å; Y404-F409 HydrophobicContact CE1-CD2 4.03Å; Y404-F409 HydrophobicContact CE1-CE2 4.19Å; Y404-F409 HydrophobicContact CE2-CD2 4.16Å; Y404-F409 HydrophobicContact CG-CB 4.48Å; Y404-F409 AromaticContact CG-CD2 3.47Å; Y404-F409 HydrophobicContact CG-CD2 3.47Å; Y404-F409 VanDerWaalsContact CG-CD2 3.47Å; Y404-F409 HydrophobicContact CG-CE2 4.06Å; Y404-F409 HydrophobicContact CG-CG 4.37Å; F409-T411 PolarHBondContact O-N 2.85Å; F409-T411 VanDerWaalsContact O-N 3.1Å; F409-H413 HydrophobicContact CD1-CB 3.86Å; F409-H413 AromaticContact CD1-CG 3.7Å; F409-H413 AromaticContact CD1-ND1 3.69Å; F409-H413 HydrophobicContact CD2-CB 4.04Å; F409-H413 HydrophobicContact CE1-CB 3.74Å; F409-H413 AromaticContact CE1-CD2 3.43Å; F409-H413 VanDerWaalsContact CE1-CD2 3.43Å; F409-H413 WeakPolarHBondContact CE1-CD2 3.48Å; F409-H413 AromaticContact CE1-CE1 3.79Å; F409-H413 AromaticContact CE1-CG 3.28Å; F409-H413 AromaticContact CE1-ND1 3.52Å; F409-H413 AromaticContact CE1-NE2 3.76Å; F409-H413 HydrophobicContact CE2-CB 3.93Å; F409-H413 HydrophobicContact CG-CB 3.98Å; F409-H413 HydrophobicContact CZ-CB 3.77Å; F409-H413 AromaticContact CZ-CD2 3.57Å; F409-H413 AromaticContact CZ-CG 3.64Å; F409-H413 WeakPolarHBondContact O-CB 3.29Å; F409-H413 PolarHBondContact O-ND1 2.83Å; F409-H458 WeakPolarHBondContact CD2-O 3.48Å; F409-H458 HydrophobicContact CE2-CB 3.94Å; F409-H458 WeakPolarHBondContact CE2-O 3.44Å; F409-H458 HydrophobicContact CZ-CB 4.14Å; F409-Q459 HydrophobicContact CD1-CB 4.46Å; F409-Q459 HydrophobicContact CD1-CG 3.35Å; F409-Q459 HydrophobicContact CD2-CG 4.2Å; F409-Q459 HydrophobicContact CE1-CG 3.47Å; F409-Q459 VanDerWaalsContact CE1-CG 3.47Å; F409-Q459 HydrophobicContact CE2-CG 4.29Å; F409-Q459 HydrophobicContact CG-CB 4.46Å; F409-Q459 HydrophobicContact CG-CG 3.78Å; F409-Q459 HydrophobicContact CZ-CG 3.96Å
410A85.7Confident86.4Confident97 Ų9757 Ų5780%0.80231%0.313SS*.THydrogen-bonded Turntrans-58.2-27.8-176.500000114.6R408R408-A410 PolarHBondContact O-N 3.39Å; R408-A410 VanDerWaalsContact O-N 3.14Å
411T90.5Very high86.4Confident80 Ų8058.8 Ų58.849%0.49132%0.316SS..THydrogen-bonded Turntrans-113-23.4-175.3480000113.4R408 F409 D434R408-T411 PolarHBondContact O-N 3.43Å; R408-T411 PolarHBondContact O-OG1 2.83Å; F409-T411 PolarHBondContact O-N 2.85Å; F409-T411 VanDerWaalsContact O-N 3.1Å; T411-D434 WeakPolarHBondContact CB-O 3.44Å; T411-D434 PolarHBondContact OG1-O 2.95Å
412C92Very high86.3Confident8 Ų858.9 Ų58.95%0.05432%0.317CS..SBendtrans-14782-172.8-175.30000110.7Y404 A405 R408 M424 D434 C435Y404-C412 WeakPolarHBondContact CA-O 3.48Å; Y404-C412 WeakPolarHBondContact CB-O 3.18Å; A405-C412 HydrophobicContact CB-CB 4.06Å; A405-C412 PolarHBondContact N-O 2.77Å; R408-C412 HydrophobicContact CB-CB 4.38Å; R408-C412 PolarHBondContact O-N 3.47Å; C412-M424 HydrophobicContact CB-CE 4.43Å; C412-M424 WeakPolarHBondContact SG-CE 3.3Å; C412-D434 WeakPolarHBondContact CB-O 3.22Å; C412-C435 HydrophobicContact CB-CB 3.83Å; C412-C435 WeakPolarHBondContact CB-SG 3.35Å; C412-C435 VanDerWaalsContact SG-CA 3.55Å; C412-C435 WeakPolarHBondContact SG-CB 3.28Å; C412-C435 CovalentContact SG-SG 2.03Å; C412-C435 PolarHBondContact SG-SG 2.74Å
413H92.9Very high86.3Confident83 Ų8361.1 Ų61.138%0.38433%0.33SS..EExtended strand (participates in β ladder)trans-138.6165.317274-84.4000111.6I403 F409I403-H413 CarbonylContact O-C 3.55Å; I403-H413 WeakPolarHBondContact O-CA 3.19Å; F409-H413 HydrophobicContact CD1-CB 3.86Å; F409-H413 AromaticContact CD1-CG 3.7Å; F409-H413 AromaticContact CD1-ND1 3.69Å; F409-H413 HydrophobicContact CD2-CB 4.04Å; F409-H413 HydrophobicContact CE1-CB 3.74Å; F409-H413 AromaticContact CE1-CD2 3.43Å; F409-H413 VanDerWaalsContact CE1-CD2 3.43Å; F409-H413 WeakPolarHBondContact CE1-CD2 3.48Å; F409-H413 AromaticContact CE1-CE1 3.79Å; F409-H413 AromaticContact CE1-CG 3.28Å; F409-H413 AromaticContact CE1-ND1 3.52Å; F409-H413 AromaticContact CE1-NE2 3.76Å; F409-H413 HydrophobicContact CE2-CB 3.93Å; F409-H413 HydrophobicContact CG-CB 3.98Å; F409-H413 HydrophobicContact CZ-CB 3.77Å; F409-H413 AromaticContact CZ-CD2 3.57Å; F409-H413 AromaticContact CZ-CG 3.64Å; F409-H413 WeakPolarHBondContact O-CB 3.29Å; F409-H413 PolarHBondContact O-ND1 2.83Å
414K92.1Very high86.3Confident96 Ų9662 Ų6242%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-146.7116.1170.7173.9173.4177.6171.30109.3A402 I403 V423 M424A402-K414 WeakPolarHBondContact CA-O 3.36Å; I403-K414 HydrophobicContact CG2-CB 3.91Å; I403-K414 HydrophobicContact CG2-CG 4.4Å; I403-K414 PolarHBondContact N-O 2.94Å; I403-K414 PolarHBondContact O-N 2.85Å; K414-V423 PolarHBondContact NZ-O 3.4Å; K414-M424 HydrophobicContact CB-SD 4.25Å
415T89.1Confident86.2Confident79 Ų7964.2 Ų64.249%0.48535%0.348SS..EExtended strand (participates in β ladder)trans-69.4147.1168.150.30000110.3
416V85.2Confident86.3Confident8 Ų864.1 Ų64.15%0.04835%0.348CS..EExtended strand (participates in β ladder)trans-131.5126.3-175-173.70000107.9Y399 T400 G401 I403 A419 I422Y399-V416 HydrophobicContact CD1-CB 4.07Å; Y399-V416 HydrophobicContact CD1-CG1 3.77Å; Y399-V416 HydrophobicContact CE1-CB 3.78Å; Y399-V416 HydrophobicContact CE1-CG1 4Å; Y399-V416 HydrophobicContact CE1-CG2 4.11Å; T400-V416 CarbonylContact C-O 3.47Å; T400-V416 VanDerWaalsContact CA-O 3.24Å; T400-V416 WeakPolarHBondContact CA-O 3.35Å; G401-V416 PolarHBondContact N-O 3.29Å; G401-V416 PolarHBondContact O-N 3.12Å; I403-V416 HydrophobicContact CG2-CG2 4.32Å; V416-A419 HydrophobicContact CG1-CB 3.72Å; V416-I422 HydrophobicContact CG1-CG1 4.2Å; V416-I422 HydrophobicContact CG2-CD1 4.31Å; V416-I422 HydrophobicContact CG2-CG1 4.39Å; V416-I422 HydrophobicContact CG2-CG2 3.58Å
417N85Confident86.6Confident123 Ų12364.2 Ų64.266%0.65835%0.347SS*.EExtended strand (participates in β ladder)trans-122.6120.1178.6-64.9-23.5000109.2A419N417-A419 PolarHBondContact O-N 3.27Å
418N83Confident86.7Confident119 Ų11957.9 Ų57.964%0.63631%0.314SS*.EExtended strand (participates in β ladder)trans48.848.6171.1-167.569.8000114.3P398 Y399 T400P398-N418 HydrophobicContact CB-CB 4.47Å; P398-N418 WeakPolarHBondContact CB-OD1 3.39Å; Y399-N418 WeakPolarHBondContact O-CA 3.28Å; Y399-N418 PolarHBondContact O-N 2.03Å; T400-N418 PolarHBondContact OG1-N 2.96Å
419A80.9Confident86.7Confident27 Ų2755.7 Ų55.722%0.22331%0.313CS..EExtended strand (participates in β ladder)trans-118.6135.4-175.900000112.6T395 Y399 V416 N417 Q421T395-A419 PolarHBondContact OG1-O 3.43Å; Y399-A419 PolarHBondContact N-O 2.95Å; Y399-A419 PolarHBondContact O-N 2.85Å; V416-A419 HydrophobicContact CG1-CB 3.72Å; N417-A419 PolarHBondContact O-N 3.27Å; A419-Q421 VanDerWaalsContact C-N 3.33Å
420K74.4Confident86.6Confident101 Ų10160.2 Ų60.244%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-83.3-7172.4-65.2-159176.5-145.30114.2T395 R396 E397 P398T395-K420 PolarHBondContact N-O 3.41Å; T395-K420 WeakPolarHBondContact OG1-CA 3.28Å; R396-K420 WeakPolarHBondContact O-CE 3.07Å; R396-K420 PolarHBondContact O-NZ 3.46Å; E397-K420 VanDerWaalsContact CD-NZ 3.27Å; E397-K420 IonicContact OE1-NZ 3.42Å; E397-K420 PolarHBondContact OE1-NZ 2.79Å; E397-K420 WeakPolarHBondContact OE2-CE 3.34Å; E397-K420 IonicContact OE2-NZ 3.31Å; E397-K420 PolarHBondContact OE2-NZ 2.9Å; P398-K420 HydrophobicContact CB-CG 4.34Å; P398-K420 HydrophobicContact CG-CG 4.08Å
421Q77.3Confident86.6Confident114 Ų11460.7 Ų60.753%0.53334%0.335SS..EExtended strand (participates in β ladder)trans-143.2135.3176.5179.71709000110.4I392 V393 N394 A419 V423I392-Q421 HydrophobicContact CG2-CG 4.1Å; V393-Q421 CarbonylContact O-C 3.59Å; V393-Q421 WeakPolarHBondContact O-CA 3.36Å; N394-Q421 PolarHBondContact OD1-NE2 2.65Å; A419-Q421 VanDerWaalsContact C-N 3.33Å; Q421-V423 HydrophobicContact CG-CG2 4.16Å
422I82.8Confident86.4Confident2 Ų258 Ų581%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-117.5133.4177-36.7176.8000107.7I392 V393 Y399 I403 V416 V450I392-I422 CarbonylContact C-O 3.49Å; I392-I422 VanDerWaalsContact CA-O 3.28Å; I392-I422 WeakPolarHBondContact CA-O 3.44Å; V393-I422 HydrophobicContact CB-CB 3.98Å; V393-I422 HydrophobicContact CB-CD1 3.84Å; V393-I422 HydrophobicContact CB-CG1 3.97Å; V393-I422 HydrophobicContact CG1-CD1 4.1Å; V393-I422 HydrophobicContact CG2-CB 4.43Å; V393-I422 HydrophobicContact CG2-CD1 4.27Å; V393-I422 PolarHBondContact N-O 2.96Å; V393-I422 PolarHBondContact O-N 2.59Å; Y399-I422 HydrophobicContact CD1-CD1 3.48Å; Y399-I422 VanDerWaalsContact CD1-CD1 3.48Å; Y399-I422 HydrophobicContact CD1-CG1 4.21Å; Y399-I422 HydrophobicContact CE1-CD1 3.39Å; Y399-I422 HydrophobicContact CE1-CG1 4.44Å; I403-I422 HydrophobicContact CB-CG2 4.25Å; I403-I422 HydrophobicContact CD1-CG2 4.38Å; I403-I422 HydrophobicContact CG2-CG2 3.55Å; V416-I422 HydrophobicContact CG1-CG1 4.2Å; V416-I422 HydrophobicContact CG2-CD1 4.31Å; V416-I422 HydrophobicContact CG2-CG1 4.39Å; V416-I422 HydrophobicContact CG2-CG2 3.58Å; I422-V450 HydrophobicContact CD1-CG1 4.4Å
423V85.6Confident86.1Confident46 Ų4660.1 Ų60.128%0.27934%0.343SS..EExtended strand (participates in β ladder)trans-130.6131.3174.4-174.90000109.4R390 F391 I392 K414 Q421R390-V423 HydrophobicContact CG-CG1 3.79Å; F391-V423 WeakPolarHBondContact O-CA 3.44Å; I392-V423 HydrophobicContact CG1-CG1 4.32Å; I392-V423 HydrophobicContact CG1-CG2 4.27Å; I392-V423 HydrophobicContact CG2-CG2 4.36Å; K414-V423 PolarHBondContact NZ-O 3.4Å; Q421-V423 HydrophobicContact CG-CG2 4.16Å
424M90.3Very high85.8Confident18 Ų1860.3 Ų60.39%0.08935%0.347CS..EExtended strand (participates in β ladder)trans-145.2133.9177.5-173.8167.1174.900110F391 I403 C412 K414 F426F391-M424 PolarHBondContact N-O 3.32Å; F391-M424 PolarHBondContact O-N 2.93Å; I403-M424 HydrophobicContact CB-SD 4.33Å; I403-M424 HydrophobicContact CD1-CB 4.24Å; I403-M424 HydrophobicContact CG1-SD 3.99Å; I403-M424 HydrophobicContact CG2-CB 4.27Å; I403-M424 HydrophobicContact CG2-SD 3.74Å; C412-M424 HydrophobicContact CB-CE 4.43Å; C412-M424 WeakPolarHBondContact SG-CE 3.3Å; K414-M424 HydrophobicContact CB-SD 4.25Å; M424-F426 HydrophobicContact CB-CE2 3.92Å; M424-F426 HydrophobicContact CB-CZ 4.16Å; M424-F426 HydrophobicContact CE-CE1 3.71Å; M424-F426 HydrophobicContact CE-CZ 3.77Å; M424-F426 HydrophobicContact CG-CE1 4.36Å; M424-F426 HydrophobicContact CG-CE2 3.73Å; M424-F426 HydrophobicContact CG-CZ 3.63Å; M424-F426 HydrophobicContact SD-CE1 4.1Å; M424-F426 HydrophobicContact SD-CE2 4.23Å; M424-F426 HydrophobicContact SD-CZ 3.52Å; M424-F426 VanDerWaalsContact SD-CZ 3.52Å
425T90.8Very high85.7Confident52 Ų5256.3 Ų56.332%0.31933%0.331SS..EExtended strand (participates in β ladder)trans-105.4127.5179.1-53.40000109.9E387 I389 P427E387-T425 HydrophobicContact CB-CG2 4.47Å; I389-T425 CarbonylContact O-C 3.6Å; I389-T425 WeakPolarHBondContact O-CA 3.25Å; T425-P427 WeakPolarHBondContact O-CD 3.22Å
426F91.3Very high85.6Confident0 Ų054 Ų540%032%0.323CS..EExtended strand (participates in β ladder)trans-102.9102.7176.9-59.3-94.5000107.4G388 I389 F391 A405 M424 C435 T437 A446 V448G388-F426 WeakPolarHBondContact CA-O 3.42Å; I389-F426 HydrophobicContact CB-CB 4.38Å; I389-F426 PolarHBondContact N-O 2.92Å; I389-F426 PolarHBondContact O-N 3.04Å; F391-F426 HydrophobicContact CB-CD2 4.17Å; F391-F426 HydrophobicContact CB-CE2 3.74Å; A405-F426 HydrophobicContact CB-CD1 4.15Å; A405-F426 HydrophobicContact CB-CE1 3.85Å; M424-F426 HydrophobicContact CB-CE2 3.92Å; M424-F426 HydrophobicContact CB-CZ 4.16Å; M424-F426 HydrophobicContact CE-CE1 3.71Å; M424-F426 HydrophobicContact CE-CZ 3.77Å; M424-F426 HydrophobicContact CG-CE1 4.36Å; M424-F426 HydrophobicContact CG-CE2 3.73Å; M424-F426 HydrophobicContact CG-CZ 3.63Å; M424-F426 HydrophobicContact SD-CE1 4.1Å; M424-F426 HydrophobicContact SD-CE2 4.23Å; M424-F426 HydrophobicContact SD-CZ 3.52Å; M424-F426 VanDerWaalsContact SD-CZ 3.52Å; F426-C435 HydrophobicContact CD1-CB 4.09Å; F426-T437 HydrophobicContact CB-CG2 3.85Å; F426-A446 HydrophobicContact CB-CB 4.09Å; F426-A446 HydrophobicContact CG-CB 4.27Å; F426-V448 HydrophobicContact CD1-CG2 4.31Å; F426-V448 HydrophobicContact CD2-CG2 4Å; F426-V448 HydrophobicContact CE1-CG1 4.41Å; F426-V448 HydrophobicContact CE1-CG2 3.88Å; F426-V448 HydrophobicContact CE2-CB 4.44Å; F426-V448 HydrophobicContact CE2-CG1 4.04Å; F426-V448 HydrophobicContact CE2-CG2 3.55Å; F426-V448 HydrophobicContact CG-CG2 4.4Å; F426-V448 HydrophobicContact CZ-CB 4.08Å; F426-V448 HydrophobicContact CZ-CG1 3.59Å; F426-V448 HydrophobicContact CZ-CG2 3.5Å; F426-V448 VanDerWaalsContact CZ-CG2 3.5Å
427P90.9Very high85.8Confident19 Ų1954.1 Ų54.112%0.12332%0.324CS..  trans-68.9158.6-17328.7-35.4000111.8E387 T425 V431 T437E387-P427 WeakPolarHBondContact O-CA 3.38Å; T425-P427 WeakPolarHBondContact O-CD 3.22Å; P427-V431 HydrophobicContact CB-CB 4.31Å; P427-V431 HydrophobicContact CB-CG1 4.38Å; P427-T437 WeakPolarHBondContact O-CB 3.46Å; P427-T437 VanDerWaalsContact O-CG2 3.27Å; P427-T437 WeakPolarHBondContact O-CG2 3.3Å; P427-T437 PolarHBondContact O-OG1 3.22Å
428P87.7Confident86Confident21 Ų2152 Ų5214%0.13631%0.312CS..  trans-64.3152.6171.1-17.531.7000111.3E387 T430 V431 S432 L444E387-P428 WeakPolarHBondContact O-CD 3.4Å; P428-T430 PolarHBondContact O-N 3.39Å; P428-V431 HydrophobicContact CB-CG2 4.45Å; P428-V431 HydrophobicContact CG-CG2 4.27Å; P428-V431 PolarHBondContact O-N 2.96Å; P428-S432 PolarHBondContact O-N 3.49Å; P428-S432 VanDerWaalsContact O-N 3.09Å; P428-L444 HydrophobicContact CB-CD1 4.31Å; P428-L444 HydrophobicContact CB-CD2 4.25Å; P428-L444 HydrophobicContact CG-CD2 4.06Å
429P87.4Confident86.2Confident55 Ų5550.3 Ų50.336%0.35730%0.302SS..THydrogen-bonded Turntrans-65.1-11.9178.726.4-34.2000113.7V431 T437 L439P429-V431 VanDerWaalsContact C-N 3.33Å; P429-T437 WeakPolarHBondContact CD-OG1 3.45Å; P429-L439 HydrophobicContact CG-CB 3.89Å
430T83.9Confident86.2Confident117 Ų11757.2 Ų57.272%0.71832%0.322SS*.THydrogen-bonded Turntrans-80.4-9.6170.651.80000113.9P428P428-T430 PolarHBondContact O-N 3.39Å
431V84.7Confident86.4Confident106 Ų10660 Ų6064%0.64234%0.342SS*.THydrogen-bonded Turntrans-114.1-43.4-179.1-178.60000110.8P427 P428 P429P427-V431 HydrophobicContact CB-CB 4.31Å; P427-V431 HydrophobicContact CB-CG1 4.38Å; P428-V431 HydrophobicContact CB-CG2 4.45Å; P428-V431 HydrophobicContact CG-CG2 4.27Å; P428-V431 PolarHBondContact O-N 2.96Å; P429-V431 VanDerWaalsContact C-N 3.33Å
432S86.8Confident86.3Confident25 Ų2555.9 Ų55.918%0.17533%0.33CS..  trans-156.3142172.1151.90000110.5P428 D434P428-S432 PolarHBondContact O-N 3.49Å; P428-S432 VanDerWaalsContact O-N 3.09Å; S432-D434 VanDerWaalsContact OG-CB 3.29Å; S432-D434 WeakPolarHBondContact OG-CB 3.4Å; S432-D434 PolarHBondContact OG-N 3.19Å; S432-D434 PolarHBondContact OG-OD2 2.81Å
433G85.1Confident86.1Confident52 Ų5260.2 Ų60.254%0.53635%0.349SS..SBendtrans-90.5-4172.300000114.3C435 G436G433-C435 PolarHBondContact O-N 3.29Å; G433-G436 PolarHBondContact O-N 3.45Å; G433-G436 VanDerWaalsContact O-N 3.11Å
434D87.8Confident86.1Confident86 Ų8658.3 Ų58.346%0.4634%0.337SS..THydrogen-bonded Turntrans-64.3-27.1-167.6-59.8-55.3000112.9T411 C412 S432T411-D434 WeakPolarHBondContact CB-O 3.44Å; T411-D434 PolarHBondContact OG1-O 2.95Å; C412-D434 WeakPolarHBondContact CB-O 3.22Å; S432-D434 VanDerWaalsContact OG-CB 3.29Å; S432-D434 WeakPolarHBondContact OG-CB 3.4Å; S432-D434 PolarHBondContact OG-N 3.19Å; S432-D434 PolarHBondContact OG-OD2 2.81Å
435C89.5Confident85.9Confident12 Ų1259.5 Ų59.58%0.08134%0.343CS..THydrogen-bonded Turntrans-99.97.2-179.3-64.20000114.5A405 C412 F426 G433 T437A405-C435 HydrophobicContact CB-CB 4.32Å; A405-C435 WeakPolarHBondContact CB-O 3.01Å; C412-C435 HydrophobicContact CB-CB 3.83Å; C412-C435 WeakPolarHBondContact CB-SG 3.35Å; C412-C435 VanDerWaalsContact SG-CA 3.55Å; C412-C435 WeakPolarHBondContact SG-CB 3.28Å; C412-C435 CovalentContact SG-SG 2.03Å; C412-C435 PolarHBondContact SG-SG 2.74Å; F426-C435 HydrophobicContact CD1-CB 4.09Å; G433-C435 PolarHBondContact O-N 3.29Å; C435-T437 HydrophobicContact CB-CG2 4.32Å; C435-T437 PolarHBondContact O-N 3.44Å
436G87.7Confident85.7Confident31 Ų3157.2 Ų57.232%0.3233%0.329SS..  trans6421173.100000115.8G433G433-G436 PolarHBondContact O-N 3.45Å; G433-G436 VanDerWaalsContact O-N 3.11Å
437T89.7Confident85.5Confident10 Ų1061.1 Ų61.16%0.06135%0.348CS..  trans-70145.4-177.853.70000112.2F426 P427 P429 C435 E445 A446F426-T437 HydrophobicContact CB-CG2 3.85Å; P427-T437 WeakPolarHBondContact O-CB 3.46Å; P427-T437 VanDerWaalsContact O-CG2 3.27Å; P427-T437 WeakPolarHBondContact O-CG2 3.3Å; P427-T437 PolarHBondContact O-OG1 3.22Å; P429-T437 WeakPolarHBondContact CD-OG1 3.45Å; C435-T437 HydrophobicContact CB-CG2 4.32Å; C435-T437 PolarHBondContact O-N 3.44Å; T437-E445 CarbonylContact C-O 3.51Å; T437-E445 VanDerWaalsContact CA-O 3.31Å; T437-E445 WeakPolarHBondContact CA-O 3.07Å; T437-A446 HydrophobicContact CG2-CB 3.96Å
438I89.1Confident85.2Confident80 Ų8060.2 Ų60.241%0.4134%0.342SS..EExtended strand (participates in β ladder)trans-116.7133.9-173.6-61.1175.3000109R440 L444 E445I438-R440 HydrophobicContact CG2-CG 3.87Å; I438-L444 CarbonylContact O-C 3.53Å; I438-L444 WeakPolarHBondContact O-CA 3.44Å; I438-E445 HydrophobicContact CB-CB 4.48Å; I438-E445 PolarHBondContact N-O 3.41Å; I438-E445 PolarHBondContact O-N 2.66Å
439L85.4Confident85Confident83 Ų8359.3 Ų59.344%0.43534%0.336SS..EExtended strand (participates in β ladder)trans-113.7112.3172.6-174.466.9000109.1P429 K443 L444P429-L439 HydrophobicContact CG-CB 3.89Å; L439-K443 WeakPolarHBondContact CA-O 3.37Å; L439-L444 HydrophobicContact CD1-CB 4.24Å
440R83Confident84.8Confident172 Ų17256.7 Ų56.765%0.64932%0.319SS*.EExtended strand (participates in β ladder)trans-134.9132.7178-76.7179.5177.5-170.8-0.4109.9I438 G442 K443I438-R440 HydrophobicContact CG2-CG 3.87Å; R440-G442 PolarHBondContact O-N 2.91Å; R440-G442 VanDerWaalsContact O-N 3.08Å; R440-K443 PolarHBondContact N-O 3.47Å; R440-K443 WeakPolarHBondContact O-CA 3.47Å; R440-K443 WeakPolarHBondContact O-CB 3.26Å; R440-K443 PolarHBondContact O-N 2.69Å
441D77.7Confident84.4Confident160 Ų16051.1 Ų51.186%0.85629%0.285SS*.THydrogen-bonded Turntrans50.736.7173.4-49.9-38.6000115K443D441-K443 VanDerWaalsContact C-N 3.28Å; D441-K443 PolarHBondContact O-N 3.03Å
442G74.2Confident83.5Confident27 Ų2748.1 Ų48.128%0.27827%0.265SS..THydrogen-bonded Turntrans79.40.6-176.500000115.2R440 T474R440-G442 PolarHBondContact O-N 2.91Å; R440-G442 VanDerWaalsContact O-N 3.08Å; G442-T474 WeakPolarHBondContact O-CA 3.45Å; G442-T474 WeakPolarHBondContact O-CB 3.42Å; G442-T474 PolarHBondContact O-N 3.11Å; G442-T474 PolarHBondContact O-OG1 3.18Å
443K80.3Confident82.2Confident92 Ų9248.8 Ų48.840%0.427%0.267SS..EExtended strand (participates in β ladder)trans-103.7129.2177.7-61.7175.7-176.9175.50111L439 R440 D441 T471 C472 D473L439-K443 WeakPolarHBondContact CA-O 3.37Å; R440-K443 PolarHBondContact N-O 3.47Å; R440-K443 WeakPolarHBondContact O-CA 3.47Å; R440-K443 WeakPolarHBondContact O-CB 3.26Å; R440-K443 PolarHBondContact O-N 2.69Å; D441-K443 VanDerWaalsContact C-N 3.28Å; D441-K443 PolarHBondContact O-N 3.03Å; K443-T471 HydrophobicContact CB-CG2 4.01Å; K443-T471 HydrophobicContact CD-CG2 4.22Å; K443-T471 HydrophobicContact CG-CG2 4.46Å; K443-C472 CarbonylContact C-O 3.57Å; K443-C472 WeakPolarHBondContact CA-O 3.05Å; K443-D473 WeakPolarHBondContact CE-OD2 3.37Å; K443-D473 HydrophobicContact CG-CB 4.46Å
444L83.9Confident81Confident7 Ų748.4 Ų48.44%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-94.5124173.3-179.162.8000108.4I389 P428 I438 L439 T471 C472 T474I389-L444 HydrophobicContact CD1-CD2 4.34Å; I389-L444 HydrophobicContact CD1-CG 4.03Å; I389-L444 HydrophobicContact CG1-CD2 3.77Å; I389-L444 HydrophobicContact CG1-CG 4.03Å; P428-L444 HydrophobicContact CB-CD1 4.31Å; P428-L444 HydrophobicContact CB-CD2 4.25Å; P428-L444 HydrophobicContact CG-CD2 4.06Å; I438-L444 CarbonylContact O-C 3.53Å; I438-L444 WeakPolarHBondContact O-CA 3.44Å; L439-L444 HydrophobicContact CD1-CB 4.24Å; L444-T471 CarbonylContact O-C 3.53Å; L444-T471 WeakPolarHBondContact O-CA 3.31Å; L444-C472 HydrophobicContact CB-CB 4.35Å; L444-C472 PolarHBondContact N-O 2.82Å; L444-C472 PolarHBondContact O-N 3.14Å; L444-T474 HydrophobicContact CB-CG2 4.21Å
445E86.3Confident79.1Confident43 Ų4346.8 Ų46.820%0.20126%0.256CS..EExtended strand (participates in β ladder)trans-117.3142.7179.9-50.7-153.5123.900111.5T437 I438 K469 V470 T471T437-E445 CarbonylContact C-O 3.51Å; T437-E445 VanDerWaalsContact CA-O 3.31Å; T437-E445 WeakPolarHBondContact CA-O 3.07Å; I438-E445 HydrophobicContact CB-CB 4.48Å; I438-E445 PolarHBondContact N-O 3.41Å; I438-E445 PolarHBondContact O-N 2.66Å; E445-K469 WeakPolarHBondContact OE1-CE 3.33Å; E445-K469 IonicContact OE1-NZ 2.63Å; E445-K469 PolarHBondContact OE1-NZ 2.72Å; E445-K469 WeakPolarHBondContact OE2-CE 3.44Å; E445-K469 IonicContact OE2-NZ 2.67Å; E445-K469 PolarHBondContact OE2-NZ 2.79Å; E445-V470 CarbonylContact C-O 3.56Å; E445-V470 VanDerWaalsContact CA-O 3.3Å; E445-V470 WeakPolarHBondContact CA-O 3.1Å; E445-T471 HydrophobicContact CG-CG2 4Å; E445-T471 WeakPolarHBondContact OE1-CG2 3.25Å; E445-T471 PolarHBondContact OE1-OG1 2.96Å
446A87.4Confident77.5Confident4 Ų452.6 Ų52.63%0.03329%0.285CS..EExtended strand (participates in β ladder)trans-136.3148171.900000110.3I389 F426 T437 K469 V470I389-A446 HydrophobicContact CD1-CB 4.02Å; F426-A446 HydrophobicContact CB-CB 4.09Å; F426-A446 HydrophobicContact CG-CB 4.27Å; T437-A446 HydrophobicContact CG2-CB 3.96Å; A446-K469 WeakPolarHBondContact O-CA 3.44Å; A446-V470 PolarHBondContact N-O 3.17Å; A446-V470 PolarHBondContact O-N 2.87Å
447M86.3Confident76.4Confident81 Ų8154.4 Ų54.440%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-111.1117.8166.8-76.517963.100109A405 A406 F467 K469 I489A405-M447 WeakPolarHBondContact CA-O 3.33Å; A406-M447 HydrophobicContact CB-CB 3.73Å; A406-M447 HydrophobicContact CB-CE 4.29Å; A406-M447 PolarHBondContact N-O 3.23Å; M447-F467 HydrophobicContact CE-CD1 4.33Å; M447-K469 HydrophobicContact CG-CB 4.38Å; M447-I489 HydrophobicContact CE-CD1 4.46Å
448V85.9Confident75.3Confident1 Ų155 Ų551%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-111.7135.7-175.1-175.70000108.8F391 I403 Y404 F426 F467 Y468 V470F391-V448 HydrophobicContact CD1-CG1 3.91Å; F391-V448 HydrophobicContact CE1-CG1 3.98Å; F391-V448 HydrophobicContact CG-CG1 4.41Å; F391-V448 HydrophobicContact CG-CG2 4.45Å; I403-V448 HydrophobicContact CD1-CG1 3.78Å; I403-V448 HydrophobicContact CG1-CG1 3.75Å; Y404-V448 CarbonylContact O-C 3.51Å; Y404-V448 WeakPolarHBondContact O-CA 3.15Å; F426-V448 HydrophobicContact CD1-CG2 4.31Å; F426-V448 HydrophobicContact CD2-CG2 4Å; F426-V448 HydrophobicContact CE1-CG1 4.41Å; F426-V448 HydrophobicContact CE1-CG2 3.88Å; F426-V448 HydrophobicContact CE2-CB 4.44Å; F426-V448 HydrophobicContact CE2-CG1 4.04Å; F426-V448 HydrophobicContact CE2-CG2 3.55Å; F426-V448 HydrophobicContact CG-CG2 4.4Å; F426-V448 HydrophobicContact CZ-CB 4.08Å; F426-V448 HydrophobicContact CZ-CG1 3.59Å; F426-V448 HydrophobicContact CZ-CG2 3.5Å; F426-V448 VanDerWaalsContact CZ-CG2 3.5Å; V448-F467 CarbonylContact O-C 3.53Å; V448-F467 WeakPolarHBondContact O-CA 3.35Å; V448-Y468 PolarHBondContact N-O 3.5Å; V448-Y468 PolarHBondContact O-N 2.74Å; V448-V470 HydrophobicContact CG2-CG2 4.19Å
449V83.7Confident74.5Confident1 Ų157.1 Ų57.11%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-117.8136.6175.6-168.80000108.9I403 Y404 A406 T461 D465 R466 F467I403-V449 CarbonylContact C-O 3.53Å; I403-V449 WeakPolarHBondContact CA-O 3.33Å; Y404-V449 HydrophobicContact CD1-CB 4.34Å; Y404-V449 HydrophobicContact CD2-CB 3.85Å; Y404-V449 HydrophobicContact CD2-CG2 4.2Å; Y404-V449 HydrophobicContact CE1-CB 4.08Å; Y404-V449 HydrophobicContact CE1-CG1 4Å; Y404-V449 HydrophobicContact CE2-CB 3.56Å; Y404-V449 HydrophobicContact CE2-CG1 3.81Å; Y404-V449 HydrophobicContact CE2-CG2 3.93Å; Y404-V449 HydrophobicContact CG-CB 4.23Å; Y404-V449 VanDerWaalsContact CZ-CG1 3.48Å; Y404-V449 PolarHBondContact N-O 2.01Å; Y404-V449 PolarHBondContact O-N 3.01Å; Y404-V449 WeakPolarHBondContact OH-CG1 3.45Å; A406-V449 HydrophobicContact CB-CG2 3.93Å; V449-T461 HydrophobicContact CG1-CG2 4.03Å; V449-D465 HydrophobicContact CG1-CB 3.85Å; V449-R466 WeakPolarHBondContact CA-O 3.04Å; V449-F467 HydrophobicContact CG2-CD1 3.71Å; V449-F467 HydrophobicContact CG2-CE1 3.71Å; V449-F467 HydrophobicContact CG2-CG 4.34Å; V449-F467 HydrophobicContact CG2-CZ 4.34Å
450V82.1Confident73.6Confident1 Ų156.4 Ų56.41%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-119115.5173.5-1740000107.8F391 V393 I403 I422 L452 D465 R466 Y468F391-V450 HydrophobicContact CE1-CG2 4.49Å; V393-V450 HydrophobicContact CG2-CG2 3.97Å; I403-V450 HydrophobicContact CD1-CG2 4.05Å; I403-V450 HydrophobicContact CG1-CG2 4.07Å; I422-V450 HydrophobicContact CD1-CG1 4.4Å; V450-L452 HydrophobicContact CG1-CD2 3.83Å; V450-L452 PolarHBondContact O-N 3.48Å; V450-D465 WeakPolarHBondContact O-CA 3.01Å; V450-R466 PolarHBondContact N-O 2.88Å; V450-R466 PolarHBondContact O-N 2.9Å; V450-Y468 HydrophobicContact CB-CE2 4.41Å; V450-Y468 HydrophobicContact CG2-CD2 4.11Å; V450-Y468 HydrophobicContact CG2-CE2 3.77Å
451S76.9Confident72.6Confident0 Ų051.1 Ų51.10%029%0.288CS..  trans-75.7117.1-178.2145.20000110.6Y399 A402 D453 D465Y399-S451 WeakPolarHBondContact CE2-O 3.4Å; Y399-S451 VanDerWaalsContact CZ-O 3.29Å; Y399-S451 PolarHBondContact OH-O 2.59Å; A402-S451 PolarHBondContact O-N 2.55Å; S451-D453 PolarHBondContact OG-OD1 2.87Å; S451-D465 VanDerWaalsContact CA-CG 3.45Å; S451-D465 WeakPolarHBondContact CA-OD1 3.46Å
452L65.5Low71.6Confident43 Ų4345.3 Ų45.323%0.22526%0.258CS..  trans-112.2-13.3-176.9-61.6-167.3000113.3F378 Y399 V450 G454 D465 R466F378-L452 HydrophobicContact CD1-CD2 3.68Å; F378-L452 HydrophobicContact CD2-CD1 4.12Å; F378-L452 HydrophobicContact CD2-CD2 4.36Å; F378-L452 HydrophobicContact CE1-CD2 3.4Å; F378-L452 HydrophobicContact CE2-CD1 4.38Å; F378-L452 HydrophobicContact CE2-CD2 4.14Å; F378-L452 HydrophobicContact CG-CD1 4.23Å; F378-L452 HydrophobicContact CG-CD2 4.18Å; F378-L452 HydrophobicContact CZ-CD2 3.67Å; Y399-L452 HydrophobicContact CD2-CD2 4.36Å; Y399-L452 HydrophobicContact CE2-CD2 3.8Å; V450-L452 HydrophobicContact CG1-CD2 3.83Å; V450-L452 PolarHBondContact O-N 3.48Å; L452-G454 PolarHBondContact O-N 3.45Å; L452-D465 PolarHBondContact N-OD1 2.96Å; L452-R466 HydrophobicContact CD1-CG 3.7Å; L452-R466 HydrophobicContact CG-CG 4.39Å
453D58Low70.6Confident38 Ų3851 Ų5120%0.20328%0.278CS..SBendtrans-65.9-17.9175.858.78.3000114.8S451 V455 T462 W464S451-D453 PolarHBondContact OG-OD1 2.87Å; D453-V455 HydrophobicContact CB-CB 4.33Å; D453-V455 HydrophobicContact CB-CG2 3.71Å; D453-V455 VanDerWaalsContact CG-CG2 3.44Å; D453-V455 PolarHBondContact O-N 2.71Å; D453-V455 PolarHBondContact OD1-N 2.91Å; D453-V455 WeakPolarHBondContact OD2-CB 3.22Å; D453-V455 WeakPolarHBondContact OD2-CG2 3.47Å; D453-T462 HydrophobicContact CB-CG2 4.5Å; D453-T462 VanDerWaalsContact CB-OG1 3.31Å; D453-T462 WeakPolarHBondContact CB-OG1 3.27Å; D453-T462 WeakPolarHBondContact OD2-CB 3.25Å; D453-T462 WeakPolarHBondContact OD2-CG2 3.32Å; D453-T462 PolarHBondContact OD2-OG1 3.03Å; D453-W464 HydrophobicContact CB-CB 4.21Å
454G59.8Low69.3Low44 Ų4454.6 Ų54.645%0.45429%0.289SS..  trans66.713.1-171.700000113.7L452L452-G454 PolarHBondContact O-N 3.45Å
455V49.7Very low68.5Low52 Ų5254.2 Ų54.232%0.31529%0.287SS..  trans-70.2137.5-174170.40000110.4D453 P457 H458 V460 T462D453-V455 HydrophobicContact CB-CB 4.33Å; D453-V455 HydrophobicContact CB-CG2 3.71Å; D453-V455 VanDerWaalsContact CG-CG2 3.44Å; D453-V455 PolarHBondContact O-N 2.71Å; D453-V455 PolarHBondContact OD1-N 2.91Å; D453-V455 WeakPolarHBondContact OD2-CB 3.22Å; D453-V455 WeakPolarHBondContact OD2-CG2 3.47Å; V455-P457 CarbonylContact O-C 3.59Å; V455-H458 PolarHBondContact O-N 2.68Å; V455-H458 PolarHBondContact O-ND1 2.69Å; V455-V460 HydrophobicContact CG1-CB 3.9Å; V455-V460 HydrophobicContact CG1-CG1 4.13Å; V455-V460 HydrophobicContact CG1-CG2 4.24Å; V455-T462 HydrophobicContact CG2-CG2 4.42Å
456L54.5Low67.6Low134 Ų13453.6 Ų53.670%0.70228%0.283SS*.SBendtrans-116.8129.2176.9-74.6171.1000110.4H458L456-H458 WeakPolarHBondContact CD2-CE1 3.43Å; L456-H458 WeakPolarHBondContact CD2-NE2 3.39Å
457P64.8Low67Low70 Ų7056 Ų5646%0.45529%0.293SS..SBendcis-75.5146-1.232.6-35.1000112.3V455 Q459 V460V455-P457 CarbonylContact O-C 3.59Å; P457-Q459 PolarHBondContact O-N 2.82Å; P457-V460 PolarHBondContact O-N 2.85Å
458H66.2Low66.1Low23 Ų2353 Ų5311%0.10628%0.277CS..THydrogen-bonded Turntrans-62.36.3178.3-52.7-50.5000115.5A402 F409 V455 L456 V460A402-H458 HydrophobicContact CB-CB 3.59Å; F409-H458 WeakPolarHBondContact CD2-O 3.48Å; F409-H458 HydrophobicContact CE2-CB 3.94Å; F409-H458 WeakPolarHBondContact CE2-O 3.44Å; F409-H458 HydrophobicContact CZ-CB 4.14Å; V455-H458 PolarHBondContact O-N 2.68Å; V455-H458 PolarHBondContact O-ND1 2.69Å; L456-H458 WeakPolarHBondContact CD2-CE1 3.43Å; L456-H458 WeakPolarHBondContact CD2-NE2 3.39Å; H458-V460 VanDerWaalsContact C-N 3.31Å
459Q72.8Confident65.7Low123 Ų12355.7 Ų55.758%0.57529%0.288SS*.THydrogen-bonded Turntrans-80.4-16.8170.7-66.613413.300112F409 P457F409-Q459 HydrophobicContact CD1-CB 4.46Å; F409-Q459 HydrophobicContact CD1-CG 3.35Å; F409-Q459 HydrophobicContact CD2-CG 4.2Å; F409-Q459 HydrophobicContact CE1-CG 3.47Å; F409-Q459 VanDerWaalsContact CE1-CG 3.47Å; F409-Q459 HydrophobicContact CE2-CG 4.29Å; F409-Q459 HydrophobicContact CG-CB 4.46Å; F409-Q459 HydrophobicContact CG-CG 3.78Å; F409-Q459 HydrophobicContact CZ-CG 3.96Å; P457-Q459 PolarHBondContact O-N 2.82Å
460V67Low65.4Low68 Ų6855.6 Ų55.641%0.41229%0.288SS..SBendtrans-72.9126.5164.1-177.10000107.1V455 P457 H458 T462V455-V460 HydrophobicContact CG1-CB 3.9Å; V455-V460 HydrophobicContact CG1-CG1 4.13Å; V455-V460 HydrophobicContact CG1-CG2 4.24Å; P457-V460 PolarHBondContact O-N 2.85Å; H458-V460 VanDerWaalsContact C-N 3.31Å; V460-T462 HydrophobicContact CG1-CG2 4.03Å
461T62.3Low65.2Low62 Ų6256.2 Ų56.238%0.3829%0.292SS..  trans-103.1131.2168.8-50.10000108.3Y404 V449 D465 F467Y404-T461 WeakPolarHBondContact OH-CB 3.39Å; Y404-T461 WeakPolarHBondContact OH-CG2 3.41Å; Y404-T461 PolarHBondContact OH-OG1 3.04Å; V449-T461 HydrophobicContact CG1-CG2 4.03Å; T461-D465 WeakPolarHBondContact CA-OD2 2.97Å; T461-D465 HydrophobicContact CG2-CB 3.97Å; T461-F467 HydrophobicContact CG2-CE2 3.81Å; T461-F467 HydrophobicContact CG2-CZ 3.57Å
462T55.8Low65Low38 Ų3856.3 Ų56.323%0.23329%0.292CS..  trans-117.8176.417964.50000112.6D453 V455 V460 W464 D465D453-T462 HydrophobicContact CB-CG2 4.5Å; D453-T462 VanDerWaalsContact CB-OG1 3.31Å; D453-T462 WeakPolarHBondContact CB-OG1 3.27Å; D453-T462 WeakPolarHBondContact OD2-CB 3.25Å; D453-T462 WeakPolarHBondContact OD2-CG2 3.32Å; D453-T462 PolarHBondContact OD2-OG1 3.03Å; V455-T462 HydrophobicContact CG2-CG2 4.42Å; V460-T462 HydrophobicContact CG1-CG2 4.03Å; T462-W464 PolarHBondContact O-N 2.82Å; T462-D465 PolarHBondContact N-OD2 2.88Å; T462-D465 WeakPolarHBondContact O-CB 2.98Å; T462-D465 PolarHBondContact O-N 3.29Å
463E52.8Low65.2Low147 Ų14755.8 Ų55.869%0.68729%0.29SS*.THydrogen-bonded Turntrans-66.4-11.2176.168.5-166.6144.100114.4Y490E463-Y490 PolarHBondContact O-OH 3.15Å
464W54.4Low65.6Low166 Ų16657.6 Ų57.663%0.62930%0.303SS*.THydrogen-bonded Turntrans-89.1-16.2176.5-50.8100.3000112.5D453 T462D453-W464 HydrophobicContact CB-CB 4.21Å; T462-W464 PolarHBondContact O-N 2.82Å
465D66.2Low65.5Low0 Ų059.1 Ų59.10%031%0.306CS..SBendtrans-77.5130.5-175.6-72.60.7000111.3Y404 V449 V450 S451 L452 T461 T462 F467Y404-D465 PolarHBondContact OH-OD2 2.88Å; Y404-D465 VanDerWaalsContact OH-OD2 3.1Å; V449-D465 HydrophobicContact CG1-CB 3.85Å; V450-D465 WeakPolarHBondContact O-CA 3.01Å; S451-D465 VanDerWaalsContact CA-CG 3.45Å; S451-D465 WeakPolarHBondContact CA-OD1 3.46Å; L452-D465 PolarHBondContact N-OD1 2.96Å; T461-D465 WeakPolarHBondContact CA-OD2 2.97Å; T461-D465 HydrophobicContact CG2-CB 3.97Å; T462-D465 PolarHBondContact N-OD2 2.88Å; T462-D465 WeakPolarHBondContact O-CB 2.98Å; T462-D465 PolarHBondContact O-N 3.29Å; D465-F467 WeakPolarHBondContact O-CD2 3.41Å; D465-F467 PolarHBondContact O-N 3.44Å
466R67.2Low65.6Low29 Ų2961.8 Ų61.811%0.10932%0.318CS..EExtended strand (participates in β ladder)trans-87.7107.1-173.5-63.7-169.3-166-17613111.3S294 F378 V449 V450 L452 Y468S294-R466 VanDerWaalsContact CB-NH2 3.32Å; S294-R466 PolarHBondContact OG-NE 2.83Å; S294-R466 PolarHBondContact OG-NH1 3.35Å; S294-R466 PolarHBondContact OG-NH2 3.01Å; F378-R466 PolarHBondContact O-NH1 3.41Å; V449-R466 WeakPolarHBondContact CA-O 3.04Å; V450-R466 PolarHBondContact N-O 2.88Å; V450-R466 PolarHBondContact O-N 2.9Å; L452-R466 HydrophobicContact CD1-CG 3.7Å; L452-R466 HydrophobicContact CG-CG 4.39Å; R466-Y468 HydrophobicContact CB-CD2 4.21Å; R466-Y468 HydrophobicContact CB-CE2 3.53Å; R466-Y468 WeakPolarHBondContact CD-OH 3.3Å; R466-Y468 VanDerWaalsContact O-CD2 3.31Å; R466-Y468 WeakPolarHBondContact O-CD2 3.47Å
467F74Confident64.9Low56 Ų5665.3 Ų65.325%0.24633%0.328CS..EExtended strand (participates in β ladder)trans-74.8125.5165.4-68.1-100.4000110.3M447 V448 V449 T461 D465 T488 I489M447-F467 HydrophobicContact CE-CD1 4.33Å; V448-F467 CarbonylContact O-C 3.53Å; V448-F467 WeakPolarHBondContact O-CA 3.35Å; V449-F467 HydrophobicContact CG2-CD1 3.71Å; V449-F467 HydrophobicContact CG2-CE1 3.71Å; V449-F467 HydrophobicContact CG2-CG 4.34Å; V449-F467 HydrophobicContact CG2-CZ 4.34Å; T461-F467 HydrophobicContact CG2-CE2 3.81Å; T461-F467 HydrophobicContact CG2-CZ 3.57Å; D465-F467 WeakPolarHBondContact O-CD2 3.41Å; D465-F467 PolarHBondContact O-N 3.44Å; F467-T488 VanDerWaalsContact O-CA 3.25Å; F467-T488 WeakPolarHBondContact O-CA 3.4Å; F467-I489 PolarHBondContact O-N 3.48Å
468Y69.3Low63.7Low16 Ų1665.8 Ų65.86%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-121.7110.6172.4-61.9-86.9000108.8F391 V448 V450 R466 V486 T487 T488F391-Y468 HydrophobicContact CE1-CD2 4.09Å; F391-Y468 HydrophobicContact CE1-CE2 4.42Å; F391-Y468 HydrophobicContact CE1-CG 4.43Å; F391-Y468 HydrophobicContact CE2-CG 4.3Å; F391-Y468 HydrophobicContact CZ-CD1 4.01Å; F391-Y468 AromaticContact CZ-CD2 3.68Å; F391-Y468 HydrophobicContact CZ-CD2 3.68Å; F391-Y468 HydrophobicContact CZ-CE1 4.47Å; F391-Y468 HydrophobicContact CZ-CE2 4.17Å; F391-Y468 AromaticContact CZ-CG 3.58Å; F391-Y468 HydrophobicContact CZ-CG 3.58Å; V448-Y468 PolarHBondContact N-O 3.5Å; V448-Y468 PolarHBondContact O-N 2.74Å; V450-Y468 HydrophobicContact CB-CE2 4.41Å; V450-Y468 HydrophobicContact CG2-CD2 4.11Å; V450-Y468 HydrophobicContact CG2-CE2 3.77Å; R466-Y468 HydrophobicContact CB-CD2 4.21Å; R466-Y468 HydrophobicContact CB-CE2 3.53Å; R466-Y468 WeakPolarHBondContact CD-OH 3.3Å; R466-Y468 VanDerWaalsContact O-CD2 3.31Å; R466-Y468 WeakPolarHBondContact O-CD2 3.47Å; Y468-V486 HydrophobicContact CD1-CG1 3.65Å; Y468-V486 HydrophobicContact CG-CG1 4.37Å; Y468-T487 CarbonylContact C-O 3.56Å; Y468-T488 HydrophobicContact CD1-CG2 3.94Å; Y468-T488 HydrophobicContact CE1-CG2 3.95Å
469K77.3Confident62.1Low58 Ų5871.6 Ų71.625%0.25238%0.375SS..EExtended strand (participates in β ladder)trans-78129.6161.6175171.7-179.7173.10108.4E445 A446 M447 V486 T487 I489E445-K469 WeakPolarHBondContact OE1-CE 3.33Å; E445-K469 IonicContact OE1-NZ 2.63Å; E445-K469 PolarHBondContact OE1-NZ 2.72Å; E445-K469 WeakPolarHBondContact OE2-CE 3.44Å; E445-K469 IonicContact OE2-NZ 2.67Å; E445-K469 PolarHBondContact OE2-NZ 2.79Å; A446-K469 WeakPolarHBondContact O-CA 3.44Å; M447-K469 HydrophobicContact CG-CB 4.38Å; K469-V486 WeakPolarHBondContact O-CA 3.47Å; K469-T487 PolarHBondContact N-O 2.66Å; K469-T487 PolarHBondContact O-N 2.77Å; K469-I489 HydrophobicContact CB-CD1 3.59Å; K469-I489 HydrophobicContact CB-CG1 4.05Å; K469-I489 HydrophobicContact CD-CD1 4.04Å; K469-I489 HydrophobicContact CG-CD1 4.4Å
470V76.7Confident60.1Low0 Ų068.9 Ų68.90%038%0.38CS..EExtended strand (participates in β ladder)trans-125.1121.2-177.5-171.60000109.2A382 I389 F391 E445 A446 V448 V484 I485 V486A382-V470 HydrophobicContact CB-CG1 3.45Å; A382-V470 VanDerWaalsContact CB-CG1 3.45Å; I389-V470 HydrophobicContact CD1-CG1 4.26Å; I389-V470 HydrophobicContact CG2-CB 4.34Å; I389-V470 HydrophobicContact CG2-CG1 3.59Å; F391-V470 HydrophobicContact CD2-CG2 3.7Å; F391-V470 HydrophobicContact CE2-CG2 3.61Å; E445-V470 CarbonylContact C-O 3.56Å; E445-V470 VanDerWaalsContact CA-O 3.3Å; E445-V470 WeakPolarHBondContact CA-O 3.1Å; A446-V470 PolarHBondContact N-O 3.17Å; A446-V470 PolarHBondContact O-N 2.87Å; V448-V470 HydrophobicContact CG2-CG2 4.19Å; V470-V484 HydrophobicContact CG1-CG1 4.05Å; V470-I485 WeakPolarHBondContact CA-O 3.36Å; V470-V486 HydrophobicContact CG1-CG2 4.43Å
471T77.3Confident58.7Low14 Ų1473.1 Ų73.19%0.08640%0.396CS..EExtended strand (participates in β ladder)trans-119124.4179.6-57.80000110K443 L444 E445 V484 I485K443-T471 HydrophobicContact CB-CG2 4.01Å; K443-T471 HydrophobicContact CD-CG2 4.22Å; K443-T471 HydrophobicContact CG-CG2 4.46Å; L444-T471 CarbonylContact O-C 3.53Å; L444-T471 WeakPolarHBondContact O-CA 3.31Å; E445-T471 HydrophobicContact CG-CG2 4Å; E445-T471 WeakPolarHBondContact OE1-CG2 3.25Å; E445-T471 PolarHBondContact OE1-OG1 2.96Å; T471-V484 WeakPolarHBondContact O-CA 3.13Å; T471-I485 PolarHBondContact N-O 2.97Å; T471-I485 PolarHBondContact O-N 2.88Å
472C73.7Confident57.4Low1 Ų171.2 Ų71.21%0.00739%0.388CS..EExtended strand (participates in β ladder)trans-113.1121.7178.9-97.50000110.3C384 I389 K443 L444C384-C472 WeakPolarHBondContact CA-SG 3.34Å; C384-C472 HydrophobicContact CB-CB 3.93Å; C384-C472 WeakPolarHBondContact CB-SG 3.22Å; C384-C472 VanDerWaalsContact SG-CA 3.54Å; C384-C472 WeakPolarHBondContact SG-CB 3.45Å; C384-C472 CovalentContact SG-SG 2.04Å; C384-C472 PolarHBondContact SG-SG 3.37Å; I389-C472 HydrophobicContact CD1-CB 4.08Å; I389-C472 HydrophobicContact CG1-CB 4.08Å; K443-C472 CarbonylContact C-O 3.57Å; K443-C472 WeakPolarHBondContact CA-O 3.05Å; L444-C472 HydrophobicContact CB-CB 4.35Å; L444-C472 PolarHBondContact N-O 2.82Å; L444-C472 PolarHBondContact O-N 3.14Å
473D69.5Low56.5Low33 Ų3372.9 Ų72.918%0.17640%0.401CS..EExtended strand (participates in β ladder)trans-81.3122173.9-155.5-50.8000111.3K443 S475 S483K443-D473 WeakPolarHBondContact CE-OD2 3.37Å; K443-D473 HydrophobicContact CG-CB 4.46Å; D473-S475 VanDerWaalsContact OD1-CB 3.26Å; D473-S475 WeakPolarHBondContact OD1-CB 3.31Å; D473-S475 PolarHBondContact OD1-N 2.89Å; D473-S475 PolarHBondContact OD1-OG 3.27Å; D473-S483 PolarHBondContact N-O 2.95Å
474T65.9Low56.3Low76 Ų7668.2 Ų68.247%0.46638%0.383SS..  trans-107.92.3-178.673.30000113.1G442 L444 L476G442-T474 WeakPolarHBondContact O-CA 3.45Å; G442-T474 WeakPolarHBondContact O-CB 3.42Å; G442-T474 PolarHBondContact O-N 3.11Å; G442-T474 PolarHBondContact O-OG1 3.18Å; L444-T474 HydrophobicContact CB-CG2 4.21Å; T474-L476 VanDerWaalsContact C-N 3.27Å; T474-L476 PolarHBondContact O-N 3.47Å
475S58.1Low55.6Low76 Ų7665.1 Ų65.153%0.53138%0.377SS..  trans-68.5-24.8178.667.70000113.4D473 K477D473-S475 VanDerWaalsContact OD1-CB 3.26Å; D473-S475 WeakPolarHBondContact OD1-CB 3.31Å; D473-S475 PolarHBondContact OD1-N 2.89Å; D473-S475 PolarHBondContact OD1-OG 3.27Å; S475-K477 VanDerWaalsContact C-N 3.33Å; S475-K477 PolarHBondContact O-N 2.99Å
476L52.1Low54.6Low107 Ų10767.7 Ų67.756%0.5639%0.393SS*.  trans-77.969.1-176-66.3172.6000113.3T474 G478T474-L476 VanDerWaalsContact C-N 3.27Å; T474-L476 PolarHBondContact O-N 3.47Å; L476-G478 PolarHBondContact O-N 3.04Å
477K38.6Very low53.3Low209 Ų20969.4 Ų69.491%0.90941%0.406SS*.THydrogen-bonded Turntrans-64.3102.6168.6-73.6-176.5177.31780111.3S475S475-K477 VanDerWaalsContact C-N 3.33Å; S475-K477 PolarHBondContact O-N 2.99Å
478G39.4Very low51.6Low79 Ų7969.2 Ų69.281%0.81441%0.41SS*.THydrogen-bonded Turntrans140.5-7.616400000116.7L476L476-G478 PolarHBondContact O-N 3.04Å
479I33.6Very low50.2Low146 Ų14671 Ų7175%0.74942%0.42SS*.SBendtrans-122.3135.1174.2-57.7175.1000107.4
480G31.6Very low48.3Very low65 Ų6573.3 Ų73.367%0.6743%0.428SS*.SBendtrans-71.2147.2174.600000111.1
481E37Very low46.1Very low158 Ų15879.8 Ų79.874%0.73846%0.463SS*.SBendtrans68.193.5-179-51.3-175.2158.700113.3
482G35.5Very low43.7Very low21 Ų2185.5 Ų85.522%0.21650%0.503CS..  trans-69.5158.1172.800000112.6C384C384-G482 PolarHBondContact SG-O 3.27Å
483S36Very low41.6Very low73 Ų7387.7 Ų87.751%0.5153%0.526SS..  trans-66.9138.4177.951.40000111.6D473D473-S483 PolarHBondContact N-O 2.95Å
484V48.7Very low39.7Very low50 Ų5094.5 Ų94.530%0.30356%0.557SS.*EExtended strand (participates in β ladder)trans-115.7125.6-179.2176.40000109.1A382 C384 V470 T471 V486A382-V484 HydrophobicContact CB-CG1 3.73Å; A382-V484 HydrophobicContact CB-CG2 4.46Å; C384-V484 WeakPolarHBondContact SG-CG2 3.28Å; V470-V484 HydrophobicContact CG1-CG1 4.05Å; T471-V484 WeakPolarHBondContact O-CA 3.13Å; V484-V486 HydrophobicContact CG1-CG2 3.71Å
485I40.8Very low38Very low101 Ų10199.8 Ų99.852%0.51858%0.578SS.*EExtended strand (participates in β ladder)trans-103.7123.2163.6-62.2170.5000106.9V470 T471 T487V470-I485 WeakPolarHBondContact CA-O 3.36Å; T471-I485 PolarHBondContact N-O 2.97Å; T471-I485 PolarHBondContact O-N 2.88Å; I485-T487 HydrophobicContact CG2-CG2 4.09Å
486V44Very low36.7Very low53 Ų53105.4 Ų105.432%0.32160%0.596SS.*EExtended strand (participates in β ladder)trans-111.7119.5167.8-174.80000107.7F391 Y468 K469 V470 V484F391-V486 HydrophobicContact CE2-CG1 4.42Å; Y468-V486 HydrophobicContact CD1-CG1 3.65Å; Y468-V486 HydrophobicContact CG-CG1 4.37Å; K469-V486 WeakPolarHBondContact O-CA 3.47Å; V470-V486 HydrophobicContact CG1-CG2 4.43Å; V484-V486 HydrophobicContact CG1-CG2 3.71Å
487T39.3Very low35.6Very low65 Ų65105.1 Ų105.140%0.39961%0.61SS.*EExtended strand (participates in β ladder)trans-120.1132.6172.342.60000109.7Y468 K469 I485Y468-T487 CarbonylContact C-O 3.56Å; K469-T487 PolarHBondContact N-O 2.66Å; K469-T487 PolarHBondContact O-N 2.77Å; I485-T487 HydrophobicContact CG2-CG2 4.09Å
488T39.9Very low35.5Very low52 Ų52105.2 Ų105.232%0.31961%0.61SS.*EExtended strand (participates in β ladder)trans-74.4137.7165.645.40000109.2D291 F467 Y468D291-T488 WeakPolarHBondContact CB-OG1 2.96Å; D291-T488 WeakPolarHBondContact OD2-CB 3.39Å; D291-T488 PolarHBondContact OD2-OG1 3.36Å; F467-T488 VanDerWaalsContact O-CA 3.25Å; F467-T488 WeakPolarHBondContact O-CA 3.4Å; Y468-T488 HydrophobicContact CD1-CG2 3.94Å; Y468-T488 HydrophobicContact CE1-CG2 3.95Å
489I38.4Very low35Very low55 Ų55109.8 Ų109.828%0.28261%0.61SS.*  trans-113.1105.8176.4-61.2-175.3000108.7M447 F467 K469 D491M447-I489 HydrophobicContact CE-CD1 4.46Å; F467-I489 PolarHBondContact O-N 3.48Å; K469-I489 HydrophobicContact CB-CD1 3.59Å; K469-I489 HydrophobicContact CB-CG1 4.05Å; K469-I489 HydrophobicContact CD-CD1 4.04Å; K469-I489 HydrophobicContact CG-CD1 4.4Å; I489-D491 HydrophobicContact CG2-CB 4.05Å
490Y37.5Very low34.9Very low106 Ų106110.4 Ų110.442%0.41661%0.614SS.*  trans-112.593.6153.2-72.9-75.9000107.1T293 E463T293-Y490 HydrophobicContact CG2-CD2 4.21Å; T293-Y490 HydrophobicContact CG2-CE2 4.22Å; E463-Y490 PolarHBondContact O-OH 3.15Å
491D31.7Very low34.8Very low135 Ų135113.1 Ų113.172%0.72262%0.62SS**  trans-122.797.7171.9-168.6-4000108.3I489 G493I489-D491 HydrophobicContact CG2-CB 4.05Å; D491-G493 PolarHBondContact O-N 3.39Å; D491-G493 VanDerWaalsContact O-N 3.17Å; D491-G493 PolarHBondContact OD1-N 3.22Å
492S27.4Very low34.4Very low134 Ų134112.9 Ų112.994%0.93763%0.629SS**  trans-86.644.7177.851.90000111.7
493G29Very low34.4Very low47 Ų47115.2 Ų115.249%0.48565%0.653SS.*  trans-85.8121.8173.200000112.9D491D491-G493 PolarHBondContact O-N 3.39Å; D491-G493 VanDerWaalsContact O-N 3.17Å; D491-G493 PolarHBondContact OD1-N 3.22Å
494E29.2Very low34.2Very low177 Ų177118 Ų11883%0.82767%0.667SS**  trans4289.9159.1-56.9-165149.500118.8
495M30.2Very low33.4Very low186 Ų186121.4 Ų121.492%0.91669%0.69SS**  trans-126.4122.4152.8-70-159.577.500111.8
496E31.8Very low33.4Very low194 Ų194118.7 Ų118.791%0.90769%0.687SS**  trans-68.8128.6169.5-68.6-167.5126.800110.7
497A28.6Very low33.6Very low102 Ų102121.1 Ų121.184%0.84370%0.704SS**  trans-71.9140-172.900000113.6
498K35.2Very low34.5Very low211 Ų211120.3 Ų120.392%0.91770%0.699SS**  trans-138128172-151.2170.9-172.2173.80110.1
499Q30.6Very low36.1Very low175 Ų175121 Ų12182%0.81870%0.703SS**  trans-100.3177.5-162.7-62.2178.2-56.600114.5
500L30Very low38.4Very low158 Ų158119 Ų11983%0.82770%0.695SS**  trans90.2152.1166-51.4174000115.5
501P30.9Very low41Very low123 Ų123115.6 Ų115.680%0.79969%0.687SS**  cis-120.6-171.96.839.8-24.3000115.3
502V27.3Very low44Very low153 Ų153109.8 Ų109.893%0.92766%0.655SS**  trans-80136-170.4-177.20000113.1
503G36.4Very low47.2Very low70 Ų70108.1 Ų108.172%0.72263%0.631SS**  trans164.8-32.1162.800000116.4
504T32.2Very low50.4Low131 Ų131106.2 Ų106.280%0.80461%0.61SS**SBendtrans-95.7141.5-172.2-34.60000111.7G506T504-G506 PolarHBondContact O-N 3.23Å
505P31.9Very low53.5Low121 Ų12198.4 Ų98.479%0.78657%0.574SS**  trans-60.1124.8163.8-19.132.1000109.5
506G39.7Very low56.5Low44 Ų4491.6 Ų91.645%0.45454%0.541SS..  trans-75.4174.5-179.900000113.6T504 Q539T504-G506 PolarHBondContact O-N 3.23Å; G506-Q539 PolarHBondContact O-NE2 3.21Å
507P48.6Very low59.1Low105 Ų10589.7 Ų89.768%0.68253%0.53SS*.SBendtrans-57154.515929.8-36.1000109.5T509 Q539P507-T509 HydrophobicContact CG-CG2 4.39Å; P507-T509 WeakPolarHBondContact O-CG2 3.4Å; P507-T509 PolarHBondContact O-N 2.93Å; P507-Q539 PolarHBondContact O-NE2 2.88Å; P507-Q539 PolarHBondContact O-OE1 3.03Å
508V59Low62Low48 Ų4893.2 Ų93.229%0.29153%0.531SS..  trans-67.7103.4-179.4-175.30000109.1Q539 A540 F613 M669V508-Q539 HydrophobicContact CG1-CB 4.21Å; V508-A540 HydrophobicContact CG1-CB 3.96Å; V508-F613 HydrophobicContact CB-CD2 4.31Å; V508-F613 HydrophobicContact CB-CE2 4.28Å; V508-F613 HydrophobicContact CB-CZ 4.48Å; V508-F613 HydrophobicContact CG1-CD1 3.63Å; V508-F613 HydrophobicContact CG1-CD2 3.97Å; V508-F613 HydrophobicContact CG1-CE1 3.52Å; V508-F613 HydrophobicContact CG1-CE2 3.87Å; V508-F613 HydrophobicContact CG1-CG 3.85Å; V508-F613 HydrophobicContact CG1-CZ 3.65Å; V508-F613 WeakPolarHBondContact O-CE2 3.03Å; V508-M669 HydrophobicContact CB-SD 4.38Å
509T72.7Confident64.4Low65 Ų6584.8 Ų84.840%0.39950%0.504SS..  trans-98.8148.1178.6680000111P507 S537 Q539P507-T509 HydrophobicContact CG-CG2 4.39Å; P507-T509 WeakPolarHBondContact O-CG2 3.4Å; P507-T509 PolarHBondContact O-N 2.93Å; T509-S537 WeakPolarHBondContact O-CA 3.41Å; T509-S537 WeakPolarHBondContact O-CB 3.34Å; T509-S537 PolarHBondContact O-OG 3.07Å; T509-Q539 PolarHBondContact OG1-OE1 3.49Å
510A86.1Confident67.3Low15 Ų1583.3 Ų83.312%0.12450%0.495CS..EExtended strand (participates in β ladder)trans-127.9170.1163.400000111.5T536 M545 V611 F613 E671 L673A510-T536 CarbonylContact C-O 3.54Å; A510-T536 WeakPolarHBondContact CA-O 3.48Å; A510-T536 WeakPolarHBondContact CB-O 3.22Å; A510-M545 HydrophobicContact CB-CE 3.83Å; A510-V611 HydrophobicContact CB-CG1 4.27Å; A510-F613 HydrophobicContact CB-CE1 4.38Å; A510-F613 HydrophobicContact CB-CZ 3.93Å; A510-E671 WeakPolarHBondContact CB-OE2 3.46Å; A510-E671 PolarHBondContact N-OE1 3Å; A510-E671 PolarHBondContact N-OE2 2.76Å; A510-L673 HydrophobicContact CB-CD1 3.81Å; A510-L673 HydrophobicContact CB-CD2 3.92Å; A510-L673 HydrophobicContact CB-CG 4.48Å; A510-L673 WeakPolarHBondContact O-CD2 3.4Å
511S92.2Very high70.3Confident34 Ų3480 Ų8024%0.23848%0.483CS..EExtended strand (participates in β ladder)trans-135.1132.4175.276.80000110.7K513 A535 T536S511-K513 WeakPolarHBondContact OG-CE 3.37Å; S511-K513 PolarHBondContact OG-NZ 2.68Å; S511-A535 WeakPolarHBondContact O-CA 3.42Å; S511-T536 PolarHBondContact N-O 2.84Å; S511-T536 PolarHBondContact O-N 3.31Å; S511-T536 VanDerWaalsContact O-N 3.12Å; S511-T536 PolarHBondContact OG-OG1 2.88Å
512L95Very high73.1Confident12 Ų1275.2 Ų75.26%0.06345%0.451CS..EExtended strand (participates in β ladder)trans-92.5129.4173.6-167.372.5000109.7L533 V534 A535 M607 C609 L673 A675L512-L533 HydrophobicContact CD1-CD1 3.7Å; L512-L533 HydrophobicContact CD1-CG 4.01Å; L512-L533 HydrophobicContact CD2-CD1 4.15Å; L512-L533 HydrophobicContact CG-CD1 3.87Å; L512-V534 CarbonylContact C-O 3.51Å; L512-V534 VanDerWaalsContact CA-O 3.31Å; L512-V534 WeakPolarHBondContact CA-O 3.16Å; L512-A535 HydrophobicContact CD1-CB 4.31Å; L512-M607 HydrophobicContact CD2-CB 4.31Å; L512-M607 HydrophobicContact CD2-CG 4.12Å; L512-C609 HydrophobicContact CD1-CB 4.29Å; L512-C609 HydrophobicContact CD2-CB 4.03Å; L512-L673 HydrophobicContact CB-CB 3.6Å; L512-L673 HydrophobicContact CB-CD1 4.21Å; L512-L673 HydrophobicContact CD2-CB 4.43Å; L512-L673 HydrophobicContact CG-CB 4.5Å; L512-A675 HydrophobicContact CB-CB 4.17Å; L512-A675 HydrophobicContact CD2-CB 3.93Å; L512-A675 HydrophobicContact CG-CB 4Å
513K95Very high76.1Confident99 Ų9973 Ų7343%0.4344%0.438SS..EExtended strand (participates in β ladder)trans-141.9149.1-177.5-68.5170.4179.7136.90110S511 L515 V534S511-K513 WeakPolarHBondContact OG-CE 3.37Å; S511-K513 PolarHBondContact OG-NZ 2.68Å; K513-L515 HydrophobicContact CB-CD2 4.44Å; K513-V534 PolarHBondContact N-O 2.76Å; K513-V534 PolarHBondContact O-N 3.5Å
514F95.6Very high78.7Confident7 Ų774 Ų743%0.03142%0.424CS..EExtended strand (participates in β ladder)trans-96.7131.2165.3-56.1-83.6000109P521 V522 I531 L532 L533 M594 M607 A675 L677F514-P521 WeakPolarHBondContact O-CA 3.28Å; F514-V522 HydrophobicContact CB-CB 4.32Å; F514-V522 PolarHBondContact O-N 2.73Å; F514-I531 HydrophobicContact CB-CD1 4.3Å; F514-I531 HydrophobicContact CD1-CD1 3.7Å; F514-I531 HydrophobicContact CE1-CD1 4.42Å; F514-I531 HydrophobicContact CG-CD1 4.29Å; F514-L532 CarbonylContact C-O 3.56Å; F514-L532 WeakPolarHBondContact CA-O 3.46Å; F514-L533 HydrophobicContact CD1-CD1 3.99Å; F514-L533 HydrophobicContact CE1-CD1 3.62Å; F514-L533 HydrophobicContact CZ-CD1 4.16Å; F514-M594 HydrophobicContact CD1-SD 4.12Å; F514-M594 HydrophobicContact CE1-CE 4.37Å; F514-M594 HydrophobicContact CE1-SD 3.76Å; F514-M607 HydrophobicContact CZ-CB 3.75Å; F514-A675 HydrophobicContact CD2-CB 4.09Å; F514-A675 HydrophobicContact CE2-CB 3.53Å; F514-A675 HydrophobicContact CZ-CB 4.25Å; F514-L677 HydrophobicContact CB-CD1 4.42Å; F514-L677 HydrophobicContact CD1-CD2 4.26Å; F514-L677 HydrophobicContact CD2-CB 3.85Å; F514-L677 HydrophobicContact CD2-CD1 4.26Å; F514-L677 HydrophobicContact CD2-CG 4.49Å; F514-L677 HydrophobicContact CE1-CB 4.48Å; F514-L677 HydrophobicContact CE1-CD2 4.24Å; F514-L677 HydrophobicContact CE2-CB 3.58Å; F514-L677 HydrophobicContact CG-CB 4.42Å; F514-L677 HydrophobicContact CG-CD1 4.28Å; F514-L677 HydrophobicContact CG-CD2 4.46Å; F514-L677 HydrophobicContact CZ-CB 3.91Å; F514-L677 HydrophobicContact CZ-CD2 4.46Å
515L95.3Very high81.5Confident14 Ų1468.3 Ų68.37%0.07339%0.39CS..EExtended strand (participates in β ladder)trans-120.6153174.1-49.2-179.3000111.1K513 K520 P521 I531 L532 V534 R589K513-L515 HydrophobicContact CB-CD2 4.44Å; L515-K520 CarbonylContact C-O 3.52Å; L515-K520 VanDerWaalsContact CA-O 3.24Å; L515-K520 WeakPolarHBondContact CA-O 3.33Å; L515-P521 HydrophobicContact CD2-CB 4.4Å; L515-P521 HydrophobicContact CD2-CG 4.14Å; L515-I531 CarbonylContact O-C 3.43Å; L515-I531 WeakPolarHBondContact O-CA 3.07Å; L515-I531 WeakPolarHBondContact O-CB 3.38Å; L515-L532 HydrophobicContact CB-CB 4.33Å; L515-L532 PolarHBondContact N-O 3.29Å; L515-L532 PolarHBondContact O-N 3.13Å; L515-V534 HydrophobicContact CD1-CB 4.41Å; L515-V534 HydrophobicContact CD1-CG2 3.86Å; L515-V534 HydrophobicContact CG-CB 4.45Å; L515-V534 HydrophobicContact CG-CG2 4.09Å; L515-R589 VanDerWaalsContact CD1-NH1 3.31Å
516D92.5Very high84.3Confident42 Ų4263.4 Ų63.423%0.22536%0.358CS..  trans-81.1-178169.768.914.4000112.2M518 G519 K520 V522D516-M518 PolarHBondContact O-N 3.01Å; D516-M518 VanDerWaalsContact OD1-C 3.28Å; D516-M518 VanDerWaalsContact OD1-CA 3.26Å; D516-M518 WeakPolarHBondContact OD1-CA 3.49Å; D516-M518 WeakPolarHBondContact OD1-CB 3.41Å; D516-M518 PolarHBondContact OD1-N 3.01Å; D516-G519 PolarHBondContact O-N 3.07Å; D516-G519 PolarHBondContact OD1-N 3.47Å; D516-K520 PolarHBondContact N-O 2.77Å; D516-K520 PolarHBondContact OD1-N 3.11Å; D516-V522 HydrophobicContact CB-CG2 3.68Å
517K86.8Confident86.6Confident154 Ų15465.3 Ų65.367%0.6736%0.357SS*.THydrogen-bonded Turntrans-65.7-12.6176.8-61.5-172.9177.9-174.20114E530K517-E530 WeakPolarHBondContact CE-OE2 3.48Å; K517-E530 IonicContact NZ-OE2 3.87Å; K517-E530 PolarHBondContact NZ-OE2 2.75Å
518M88.5Confident88.4Confident176 Ų17662.3 Ų62.387%0.86735%0.345SS*.THydrogen-bonded Turntrans-97.4-2.4174.2-60.7176.762.400112.1D516D516-M518 PolarHBondContact O-N 3.01Å; D516-M518 VanDerWaalsContact OD1-C 3.28Å; D516-M518 VanDerWaalsContact OD1-CA 3.26Å; D516-M518 WeakPolarHBondContact OD1-CA 3.49Å; D516-M518 WeakPolarHBondContact OD1-CB 3.41Å; D516-M518 PolarHBondContact OD1-N 3.01Å
519G87.3Confident89.9Confident35 Ų3562.8 Ų62.836%0.36135%0.348SS..SBendtrans82.58.1-177.900000114.7D516D516-G519 PolarHBondContact O-N 3.07Å; D516-G519 PolarHBondContact OD1-N 3.47Å
520K91.5Very high90.8Very high143 Ų14363.2 Ų63.262%0.62235%0.346SS*.  trans-80.4140.6177.6-174.4-170.1174.4-169.30110.1L515 D516L515-K520 CarbonylContact C-O 3.52Å; L515-K520 VanDerWaalsContact CA-O 3.24Å; L515-K520 WeakPolarHBondContact CA-O 3.33Å; D516-K520 PolarHBondContact N-O 2.77Å; D516-K520 PolarHBondContact OD1-N 3.11Å
521P91.2Very high91.2Very high90 Ų9062.7 Ų62.758%0.58434%0.341SS*.BIsolated β-bridgetrans-57.5138.6173.8-26.235.5000113.7F514 L515F514-P521 WeakPolarHBondContact O-CA 3.28Å; L515-P521 HydrophobicContact CD2-CB 4.4Å; L515-P521 HydrophobicContact CD2-CG 4.14Å
522V91.1Very high91.4Very high21 Ų2162.9 Ų62.913%0.12734%0.339CS..  trans-119112.9179.9-179.50000109.2F514 D516 E524 L677F514-V522 HydrophobicContact CB-CB 4.32Å; F514-V522 PolarHBondContact O-N 2.73Å; D516-V522 HydrophobicContact CB-CG2 3.68Å; V522-E524 WeakPolarHBondContact CG1-O 3.36Å; V522-L677 HydrophobicContact CG1-CD1 3.84Å
523T90.1Very high91.4Very high107 Ų10762.3 Ų62.366%0.65634%0.336SS*.SBendtrans-95.5-27.6169.649.60000112.2R678T523-R678 PolarHBondContact O-N 3.08Å
524E90.7Very high91.5Very high90 Ų9057.8 Ų57.842%0.42132%0.316SS..EExtended strand (participates in β ladder)trans-137.5138.2-177-46.1-161.7143.700110.8V522 R678 Y680V522-E524 WeakPolarHBondContact CG1-O 3.36Å; E524-R678 CarbonylContact C-O 3.31Å; E524-R678 WeakPolarHBondContact CA-O 3.45Å; E524-R678 HydrophobicContact CB-CB 4.18Å; E524-R678 HydrophobicContact CG-CB 3.95Å; E524-R678 WeakPolarHBondContact OE1-CD 3.27Å; E524-R678 IonicContact OE1-CZ 3.7Å; E524-R678 IonicContact OE1-NE 3.75Å; E524-R678 IonicContact OE1-NH1 2.73Å; E524-R678 PolarHBondContact OE1-NH1 2.93Å; E524-Y680 HydrophobicContact CB-CE2 4.38Å
525T91.6Very high91.4Very high13 Ų1357.5 Ų57.58%0.0832%0.316CS..EExtended strand (participates in β ladder)trans-153.2175.3-176-1690000112.5T529 A596 L677 R678 V679 Y680T525-T529 VanDerWaalsContact OG1-CB 3.29Å; T525-T529 WeakPolarHBondContact OG1-CB 3.19Å; T525-T529 WeakPolarHBondContact OG1-CG2 3.5Å; T525-T529 PolarHBondContact OG1-OG1 2.85Å; T525-A596 HydrophobicContact CG2-CB 3.41Å; T525-A596 VanDerWaalsContact CG2-CB 3.41Å; T525-L677 HydrophobicContact CG2-CD1 3.89Å; T525-L677 HydrophobicContact CG2-CD2 3.94Å; T525-L677 HydrophobicContact CG2-CG 4.07Å; T525-R678 PolarHBondContact N-O 3.03Å; T525-V679 HydrophobicContact CG2-CG1 4.39Å; T525-V679 HydrophobicContact CG2-CG2 4.1Å; T525-V679 WeakPolarHBondContact O-CA 3.14Å; T525-Y680 PolarHBondContact O-N 3.22Å
526C89.5Confident91.3Very high18 Ų1858.7 Ų58.712%0.12232%0.323CS..EExtended strand (participates in β ladder)trans-98.9147.8172.7-67.70000112G528 T529 Y680C526-G528 PolarHBondContact O-N 3.09Å; C526-T529 WeakPolarHBondContact O-CB 3.05Å; C526-T529 PolarHBondContact O-N 2.96Å; C526-T529 VanDerWaalsContact O-N 3.11Å; C526-T529 PolarHBondContact O-OG1 3.35Å; C526-Y680 CarbonylContact C-O 3.54Å; C526-Y680 WeakPolarHBondContact CA-O 3.38Å
527I87.8Confident91.1Very high83 Ų8357 Ų5743%0.42632%0.315SS..THydrogen-bonded Turntrans-51.3137.9173.9-62.6175.4000110.2T529 R598 V679 Y680 T681I527-T529 VanDerWaalsContact C-N 3.26Å; I527-T529 PolarHBondContact O-N 3.12Å; I527-R598 HydrophobicContact CD1-CB 3.99Å; I527-R598 HydrophobicContact CG1-CB 4.28Å; I527-V679 HydrophobicContact CB-CG1 4.31Å; I527-V679 HydrophobicContact CG1-CG1 3.54Å; I527-Y680 PolarHBondContact N-O 3.18Å; I527-T681 HydrophobicContact CD1-CG2 4.05Å
528G86.6Confident91Very high42 Ų4255.9 Ų55.943%0.43332%0.316SS..THydrogen-bonded Turntrans83.2-14.4-178.700000115C526 E530 A596C526-G528 PolarHBondContact O-N 3.09Å; G528-E530 PolarHBondContact O-N 3.05Å; G528-A596 PolarHBondContact N-O 3.49Å
529T91.2Very high90.4Very high58 Ų5851.1 Ų51.136%0.35629%0.292SS..  trans-62.6127.8179.2-53.90000111T525 C526 I527 I531 K595 A596T525-T529 VanDerWaalsContact OG1-CB 3.29Å; T525-T529 WeakPolarHBondContact OG1-CB 3.19Å; T525-T529 WeakPolarHBondContact OG1-CG2 3.5Å; T525-T529 PolarHBondContact OG1-OG1 2.85Å; C526-T529 WeakPolarHBondContact O-CB 3.05Å; C526-T529 PolarHBondContact O-N 2.96Å; C526-T529 VanDerWaalsContact O-N 3.11Å; C526-T529 PolarHBondContact O-OG1 3.35Å; I527-T529 VanDerWaalsContact C-N 3.26Å; I527-T529 PolarHBondContact O-N 3.12Å; T529-I531 HydrophobicContact CG2-CG2 4.31Å; T529-I531 PolarHBondContact O-N 2.85Å; T529-K595 WeakPolarHBondContact O-CA 3.19Å; T529-A596 PolarHBondContact O-N 3.47Å
530E92.4Very high90.2Very high75 Ų7550 Ų5035%0.3528%0.279SS..EExtended strand (participates in β ladder)trans-77.7119.6176-73.1175164.600111.5K517 G528 M594 K595K517-E530 WeakPolarHBondContact CE-OE2 3.48Å; K517-E530 IonicContact NZ-OE2 3.87Å; K517-E530 PolarHBondContact NZ-OE2 2.75Å; G528-E530 PolarHBondContact O-N 3.05Å; E530-M594 WeakPolarHBondContact CA-O 3.2Å; E530-K595 HydrophobicContact CG-CG 3.82Å; E530-K595 WeakPolarHBondContact OE1-CE 3.37Å
531I94.3Very high89.9Confident4 Ų444.3 Ų44.32%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-127.8166.1179.462-178.1000109.8F514 L515 T529 M594 A596 L677F514-I531 HydrophobicContact CB-CD1 4.3Å; F514-I531 HydrophobicContact CD1-CD1 3.7Å; F514-I531 HydrophobicContact CE1-CD1 4.42Å; F514-I531 HydrophobicContact CG-CD1 4.29Å; L515-I531 CarbonylContact O-C 3.43Å; L515-I531 WeakPolarHBondContact O-CA 3.07Å; L515-I531 WeakPolarHBondContact O-CB 3.38Å; T529-I531 HydrophobicContact CG2-CG2 4.31Å; T529-I531 PolarHBondContact O-N 2.85Å; I531-M594 HydrophobicContact CD1-CE 4.46Å; I531-M594 HydrophobicContact CD1-CG 4.15Å; I531-M594 HydrophobicContact CD1-SD 4.34Å; I531-M594 HydrophobicContact CG1-CG 3.59Å; I531-M594 HydrophobicContact CG1-SD 4.39Å; I531-M594 PolarHBondContact N-O 3.14Å; I531-M594 PolarHBondContact O-N 2.77Å; I531-M594 VanDerWaalsContact O-O 3.07Å; I531-A596 HydrophobicContact CD1-CB 4.37Å; I531-L677 HydrophobicContact CD1-CD1 4.46Å; I531-L677 HydrophobicContact CD1-CD2 3.47Å; I531-L677 VanDerWaalsContact CD1-CD2 3.47Å
532L95.4Very high89.8Confident37 Ų3740.1 Ų40.119%0.19423%0.234CC..EExtended strand (participates in β ladder)trans-104.1118.3174.1-64.2169.7000109.4F514 L515 V534 A592 V593F514-L532 CarbonylContact C-O 3.56Å; F514-L532 WeakPolarHBondContact CA-O 3.46Å; L515-L532 HydrophobicContact CB-CB 4.33Å; L515-L532 PolarHBondContact N-O 3.29Å; L515-L532 PolarHBondContact O-N 3.13Å; L532-V534 HydrophobicContact CB-CG2 3.88Å; L532-A592 CarbonylContact C-O 3.59Å; L532-A592 WeakPolarHBondContact CA-O 3.39Å; L532-V593 HydrophobicContact CD2-CB 4.49Å; L532-V593 HydrophobicContact CD2-CG2 3.75Å
533L96Very high89.7Confident1 Ų141.1 Ų41.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-76.1119.5161.3-176.466.6000107.7L512 F514 I578 A591 A592 M594 M607L512-L533 HydrophobicContact CD1-CD1 3.7Å; L512-L533 HydrophobicContact CD1-CG 4.01Å; L512-L533 HydrophobicContact CD2-CD1 4.15Å; L512-L533 HydrophobicContact CG-CD1 3.87Å; F514-L533 HydrophobicContact CD1-CD1 3.99Å; F514-L533 HydrophobicContact CE1-CD1 3.62Å; F514-L533 HydrophobicContact CZ-CD1 4.16Å; L533-I578 HydrophobicContact CD2-CD1 3.81Å; L533-A591 CarbonylContact O-C 3.59Å; L533-A591 VanDerWaalsContact O-CA 3.31Å; L533-A591 WeakPolarHBondContact O-CA 3.22Å; L533-A592 PolarHBondContact N-O 3.03Å; L533-A592 PolarHBondContact O-N 2.79Å; L533-M594 HydrophobicContact CB-CG 4.39Å; L533-M594 HydrophobicContact CB-SD 3.94Å; L533-M607 HydrophobicContact CD1-CG 4.14Å; L533-M607 HydrophobicContact CD2-CG 4.32Å
534V95.8Very high89.6Confident3 Ų338.8 Ų38.82%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-125.8128.8-170.9166.10000110.6L512 K513 L515 L532 T536 R589 L590 A591L512-V534 CarbonylContact C-O 3.51Å; L512-V534 VanDerWaalsContact CA-O 3.31Å; L512-V534 WeakPolarHBondContact CA-O 3.16Å; K513-V534 PolarHBondContact N-O 2.76Å; K513-V534 PolarHBondContact O-N 3.5Å; L515-V534 HydrophobicContact CD1-CB 4.41Å; L515-V534 HydrophobicContact CD1-CG2 3.86Å; L515-V534 HydrophobicContact CG-CB 4.45Å; L515-V534 HydrophobicContact CG-CG2 4.09Å; L532-V534 HydrophobicContact CB-CG2 3.88Å; V534-T536 HydrophobicContact CG1-CG2 3.6Å; V534-R589 HydrophobicContact CG1-CB 4.06Å; V534-R589 HydrophobicContact CG1-CG 4.33Å; V534-L590 WeakPolarHBondContact CA-O 3.47Å; V534-A591 HydrophobicContact CG2-CB 4.09Å
535A94.4Very high89.6Confident2 Ų234.5 Ų34.52%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-112.3124.8166.300000109.8S511 L512 M545 L547 L590 L673S511-A535 WeakPolarHBondContact O-CA 3.42Å; L512-A535 HydrophobicContact CD1-CB 4.31Å; A535-M545 HydrophobicContact CB-CE 4.37Å; A535-L547 HydrophobicContact CB-CD1 4.2Å; A535-L590 HydrophobicContact CB-CB 4.35Å; A535-L590 PolarHBondContact N-O 3.27Å; A535-L590 PolarHBondContact O-N 3.47Å; A535-L673 HydrophobicContact CB-CD1 3.95Å
536T93Very high89.6Confident39 Ų3934.3 Ų34.324%0.23920%0.2CC..EExtended strand (participates in β ladder)trans-125.4134.3179.558.60000110.6A510 S511 V534 R589A510-T536 CarbonylContact C-O 3.54Å; A510-T536 WeakPolarHBondContact CA-O 3.48Å; A510-T536 WeakPolarHBondContact CB-O 3.22Å; S511-T536 PolarHBondContact N-O 2.84Å; S511-T536 PolarHBondContact O-N 3.31Å; S511-T536 VanDerWaalsContact O-N 3.12Å; S511-T536 PolarHBondContact OG-OG1 2.88Å; V534-T536 HydrophobicContact CG1-CG2 3.6Å; T536-R589 HydrophobicContact CG2-CB 3.66Å
537S88.7Confident89.8Confident6 Ų633.6 Ų33.64%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-113.3150.2160.3179.60000109.2T509 Q539 A540 N588T509-S537 WeakPolarHBondContact O-CA 3.41Å; T509-S537 WeakPolarHBondContact O-CB 3.34Å; T509-S537 PolarHBondContact O-OG 3.07Å; S537-Q539 PolarHBondContact OG-N 3.35Å; S537-Q539 VanDerWaalsContact OG-N 3.09Å; S537-A540 WeakPolarHBondContact CB-O 3.28Å; S537-A540 PolarHBondContact OG-N 2.94Å; S537-N588 PolarHBondContact O-ND2 2.92Å
538D83.3Confident90Very high131 Ų13131.1 Ų31.170%0.70118%0.183SC*.SBendtrans-86.1-20.6167.960.8-27.6000112.2
539Q77.3Confident90.3Very high75 Ų7530.9 Ų30.935%0.3517%0.172SC..SBendtrans-99.7-33.9-179.6-63.1142.8-54.500112.8G506 P507 V508 T509 S537G506-Q539 PolarHBondContact O-NE2 3.21Å; P507-Q539 PolarHBondContact O-NE2 2.88Å; P507-Q539 PolarHBondContact O-OE1 3.03Å; V508-Q539 HydrophobicContact CG1-CB 4.21Å; T509-Q539 PolarHBondContact OG1-OE1 3.49Å; S537-Q539 PolarHBondContact OG-N 3.35Å; S537-Q539 VanDerWaalsContact OG-N 3.09Å
540A82.3Confident90.6Very high11 Ų1128.1 Ų28.19%0.09116%0.155CC..SBendtrans-107.4125.817700000112.2V508 S537 M545 F613V508-A540 HydrophobicContact CG1-CB 3.96Å; S537-A540 WeakPolarHBondContact CB-O 3.28Å; S537-A540 PolarHBondContact OG-N 2.94Å; A540-M545 HydrophobicContact CB-CG 3.77Å; A540-M545 HydrophobicContact CB-SD 4.25Å; A540-F613 HydrophobicContact CB-CD1 3.61Å; A540-F613 HydrophobicContact CB-CE1 3.84Å
541G85.2Confident90.7Very high25 Ų2526 Ų2626%0.25815%0.147SC..  trans-75.4157.1167.500000111.6N543 N544 N588G541-N543 PolarHBondContact O-N 3.06Å; G541-N544 PolarHBondContact O-N 2.91Å; G541-N588 WeakPolarHBondContact CA-OD1 3.07Å
542P89.6Confident90.5Very high1 Ų125.8 Ų25.81%0.00615%0.146CC..THydrogen-bonded Turntrans-70.82.9-172.631.4-39.2000115R583 L585 N588 R589 L590P542-R583 HydrophobicContact CB-CB 4.36Å; P542-R583 WeakPolarHBondContact O-CD 3.43Å; P542-R583 WeakPolarHBondContact O-CG 3.37Å; P542-L585 HydrophobicContact CG-CD2 4.24Å; P542-N588 WeakPolarHBondContact CD-OD1 3.47Å; P542-R589 VanDerWaalsContact CB-C 3.41Å; P542-R589 VanDerWaalsContact CB-O 3.3Å; P542-R589 WeakPolarHBondContact CB-O 3.48Å; P542-L590 HydrophobicContact CB-CD2 3.97Å; P542-L590 HydrophobicContact CB-CG 4.36Å
543N88.3Confident90.3Very high42 Ų4225.8 Ų25.823%0.22515%0.147CC..THydrogen-bonded Turntrans-80.1-25163.9-59.8-63.8000112G541 R583 L585 G619 C620 R639G541-N543 PolarHBondContact O-N 3.06Å; N543-R583 PolarHBondContact O-NH1 2.8Å; N543-L585 WeakPolarHBondContact ND2-CD2 3.38Å; N543-G619 CarbonylContact O-C 3.57Å; N543-G619 WeakPolarHBondContact O-CA 3.18Å; N543-C620 PolarHBondContact O-N 2.9Å; N543-R639 PolarHBondContact OD1-NE 2.92Å
544N88.1Confident89.7Confident58 Ų5827.3 Ų27.331%0.3115%0.153SC..SBendtrans-107.315.2-175.1-62.840.5000111G541 F613 C614 C620G541-N544 PolarHBondContact O-N 2.91Å; N544-F613 VanDerWaalsContact O-CA 3.27Å; N544-F613 WeakPolarHBondContact O-CA 3.31Å; N544-C614 WeakPolarHBondContact CB-O 3.17Å; N544-C614 PolarHBondContact ND2-O 2.87Å; N544-C614 PolarHBondContact O-N 2.63Å; N544-C620 VanDerWaalsContact C-SG 3.53Å
545M90.8Very high89.2Confident0 Ų029.4 Ų29.40%017%0.166CC..EExtended strand (participates in β ladder)trans-124.4143.1173.6-59.1173.571.500108.8A510 A535 A540 L590 V611 M612 F613 C620A510-M545 HydrophobicContact CB-CE 3.83Å; A535-M545 HydrophobicContact CB-CE 4.37Å; A540-M545 HydrophobicContact CB-CG 3.77Å; A540-M545 HydrophobicContact CB-SD 4.25Å; M545-L590 HydrophobicContact CB-CD1 3.74Å; M545-L590 HydrophobicContact CB-CG 4.05Å; M545-V611 HydrophobicContact CB-CG2 4.18Å; M545-V611 HydrophobicContact CE-CG2 3.86Å; M545-M612 CarbonylContact C-O 3.48Å; M545-M612 WeakPolarHBondContact CA-O 3.44Å; M545-F613 HydrophobicContact CE-CE1 4.05Å; M545-F613 HydrophobicContact CG-CD1 3.87Å; M545-F613 HydrophobicContact CG-CE1 3.89Å; M545-F613 HydrophobicContact SD-CE1 4.43Å; M545-C620 VanDerWaalsContact C-SG 3.53Å
546I91.8Very high88.4Confident9 Ų931.7 Ų31.75%0.04619%0.19CC..EExtended strand (participates in β ladder)trans-136.5128.8169.4-176.5177.8000108.7L548 V611 M612 C620 N637I546-L548 HydrophobicContact CD1-CD2 4.11Å; I546-L548 HydrophobicContact CG1-CD2 4.33Å; I546-L548 HydrophobicContact CG2-CD2 4.34Å; I546-L548 HydrophobicContact CG2-CG 4.46Å; I546-L548 PolarHBondContact O-N 3.26Å; I546-V611 CarbonylContact O-C 3.54Å; I546-V611 WeakPolarHBondContact O-CA 3.31Å; I546-M612 HydrophobicContact CG2-CB 3.7Å; I546-M612 HydrophobicContact CG2-CE 3.43Å; I546-M612 VanDerWaalsContact CG2-CE 3.43Å; I546-M612 HydrophobicContact CG2-CG 4.26Å; I546-M612 PolarHBondContact N-O 3.42Å; I546-M612 PolarHBondContact O-N 2.87Å; I546-C620 HydrophobicContact CB-CB 3.94Å; I546-C620 HydrophobicContact CG2-CB 4.15Å; I546-N637 HydrophobicContact CD1-CB 4.32Å; I546-N637 HydrophobicContact CG1-CB 3.71Å; I546-N637 VanDerWaalsContact CG1-CG 3.43Å; I546-N637 WeakPolarHBondContact CG1-ND2 3.37Å
547L93.3Very high87Confident3 Ų332.1 Ų32.12%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-86.1111.2175.4-160.969.8000106.9A535 I567 G570 V581 L590 C609 V611 N637A535-L547 HydrophobicContact CB-CD1 4.2Å; L547-I567 HydrophobicContact CD2-CD1 4.03Å; L547-G570 WeakPolarHBondContact O-CA 2.97Å; L547-V581 HydrophobicContact CB-CG1 4.2Å; L547-V581 HydrophobicContact CB-CG2 4.25Å; L547-V581 HydrophobicContact CD2-CG1 4.41Å; L547-V581 HydrophobicContact CD2-CG2 4.06Å; L547-L590 HydrophobicContact CB-CD1 3.98Å; L547-C609 HydrophobicContact CD1-CB 3.8Å; L547-C609 HydrophobicContact CG-CB 4.46Å; L547-V611 HydrophobicContact CD1-CB 4.4Å; L547-N637 PolarHBondContact N-OD1 2.79Å; L547-N637 PolarHBondContact O-ND2 2.77Å
548L91.7Very high85.6Confident31 Ų3137.9 Ų37.916%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-85.2-77.4-174-71.8177.1000110.7I546 I567 G570 T610 M612 E670I546-L548 HydrophobicContact CD1-CD2 4.11Å; I546-L548 HydrophobicContact CG1-CD2 4.33Å; I546-L548 HydrophobicContact CG2-CD2 4.34Å; I546-L548 HydrophobicContact CG2-CG 4.46Å; I546-L548 PolarHBondContact O-N 3.26Å; L548-I567 WeakPolarHBondContact O-CG2 3.37Å; L548-G570 VanDerWaalsContact O-CA 3.23Å; L548-G570 WeakPolarHBondContact O-CA 3.46Å; L548-G570 PolarHBondContact O-N 2.89Å; L548-T610 HydrophobicContact CD1-CG2 4.39Å; L548-T610 PolarHBondContact N-O 2.84Å; L548-M612 HydrophobicContact CD1-CB 3.72Å; L548-M612 HydrophobicContact CD1-CE 4.09Å; L548-M612 HydrophobicContact CD1-SD 4.11Å; L548-M612 HydrophobicContact CD2-CE 4.12Å; L548-M612 HydrophobicContact CG-CB 4.15Å; L548-M612 HydrophobicContact CG-CE 4.42Å; L548-E670 VanDerWaalsContact CD1-OE1 3.24Å; L548-E670 WeakPolarHBondContact CD1-OE1 3.19Å
549D94Very high84.7Confident37 Ų3734.9 Ų34.920%0.19824%0.237CC..EExtended strand (participates in β ladder)trans-109.1147.8179-88.418.3000110.3K565 I567 E568 N569 C609 T610D549-K565 WeakPolarHBondContact OD2-CE 3.38Å; D549-K565 IonicContact OD2-NZ 3.64Å; D549-K565 PolarHBondContact OD2-NZ 2.72Å; D549-I567 WeakPolarHBondContact CA-O 3.05Å; D549-E568 VanDerWaalsContact OD1-CA 3.3Å; D549-E568 WeakPolarHBondContact OD1-CA 3.4Å; D549-N569 PolarHBondContact OD1-N 2.83Å; D549-C609 CarbonylContact O-C 3.59Å; D549-C609 WeakPolarHBondContact O-CA 3.41Å; D549-C609 WeakPolarHBondContact O-CB 3.43Å; D549-T610 PolarHBondContact O-N 3.37Å
550C96.2Very high83.9Confident0 Ų037.3 Ų37.30%025%0.253CS..EExtended strand (participates in β ladder)trans-136.5127.3166.1-750000109.5K565 V566 I567 M607 V608 C609C550-K565 CarbonylContact O-C 3.53Å; C550-K565 WeakPolarHBondContact O-CA 3.07Å; C550-K565 WeakPolarHBondContact O-CG 3.19Å; C550-V566 HydrophobicContact CB-CG2 3.76Å; C550-V566 WeakPolarHBondContact O-CG2 3.29Å; C550-V566 PolarHBondContact O-N 3.2Å; C550-I567 HydrophobicContact CB-CB 3.93Å; C550-I567 HydrophobicContact CB-CD1 4.27Å; C550-I567 HydrophobicContact CB-CG1 4.13Å; C550-I567 PolarHBondContact N-O 3.09Å; C550-I567 PolarHBondContact O-N 2.94Å; C550-M607 HydrophobicContact CB-SD 3.99Å; C550-V608 CarbonylContact C-O 3.54Å; C550-V608 WeakPolarHBondContact CA-O 3.47Å; C550-C609 HydrophobicContact CB-CB 4.14Å; C550-C609 WeakPolarHBondContact CB-SG 3.08Å; C550-C609 WeakPolarHBondContact SG-CB 3.49Å; C550-C609 CovalentContact SG-SG 2.04Å; C550-C609 PolarHBondContact SG-SG 3.17Å
551T94.4Very high83Confident30 Ų3039.7 Ų39.718%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-128.8125.9-177.6-57.60000110.5P563 V608T551-P563 HydrophobicContact CG2-CB 3.46Å; T551-P563 VanDerWaalsContact CG2-CB 3.46Å; T551-V608 PolarHBondContact N-O 2.04Å; T551-V608 PolarHBondContact O-N 3.34Å
552A91.8Very high82.1Confident0 Ų044.4 Ų44.40%029%0.292CS..EExtended strand (participates in β ladder)trans-91.5126.2171.800000110.5F564 F597 L599 R606 M607A552-F564 HydrophobicContact CB-CB 4.47Å; A552-F564 PolarHBondContact N-O 2.91Å; A552-F564 PolarHBondContact O-N 2.8Å; A552-F597 HydrophobicContact CB-CE2 3.75Å; A552-F597 HydrophobicContact CB-CZ 3.63Å; A552-L599 HydrophobicContact CB-CD1 4.12Å; A552-R606 CarbonylContact C-O 3.59Å; A552-R606 WeakPolarHBondContact CA-O 3.4Å; A552-M607 HydrophobicContact CB-CE 4.05Å; A552-M607 HydrophobicContact CB-SD 4.18Å
553T89.5Confident81.7Confident37 Ų3748.2 Ų48.223%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-115.8154.8165.554.10000109.4P563 I605 R606T553-P563 HydrophobicContact CG2-CB 3.93Å; T553-P563 HydrophobicContact CG2-CG 4.28Å; T553-I605 CarbonylContact O-C 3.54Å; T553-I605 WeakPolarHBondContact O-CA 3.03Å; T553-R606 PolarHBondContact N-O 3.5Å; T553-R606 PolarHBondContact O-N 3.35Å
554R83.8Confident81.6Confident33 Ų3348.7 Ų48.713%0.12532%0.317CS..EExtended strand (participates in β ladder)trans-79.4149.517274.2178.8-170.5-176.50.3110.1G556 T558 G559 D560 L599 D600R554-G556 WeakPolarHBondContact CD-O 3.44Å; R554-G556 WeakPolarHBondContact CG-O 3.23Å; R554-G556 PolarHBondContact NE-O 3.39Å; R554-G556 VanDerWaalsContact NE-O 3.14Å; R554-T558 PolarHBondContact NH1-O 3.19Å; R554-T558 VanDerWaalsContact NH1-O 3.07Å; R554-T558 PolarHBondContact NH2-O 2.04Å; R554-G559 VanDerWaalsContact NH2-C 3.29Å; R554-G559 PolarHBondContact NH2-O 3.02Å; R554-D560 PolarHBondContact NH2-O 2.89Å; R554-L599 HydrophobicContact CB-CB 3.95Å; R554-L599 HydrophobicContact CB-CD1 4.41Å; R554-D600 WeakPolarHBondContact CD-O 2.93Å; R554-D600 PolarHBondContact NH1-O 2.8Å
555V85.3Confident81.7Confident47 Ų4748.5 Ų48.529%0.28531%0.313SS..SBendtrans-101.2109.5173.5-175.70000108.5S602 D604 R606 V676V555-S602 WeakPolarHBondContact O-CB 3.38Å; V555-S602 PolarHBondContact O-OG 2.66Å; V555-D604 HydrophobicContact CB-CB 3.9Å; V555-D604 HydrophobicContact CG2-CB 4.32Å; V555-D604 PolarHBondContact N-O 2.98Å; V555-R606 HydrophobicContact CG2-CB 3.71Å; V555-V676 HydrophobicContact CG2-CG1 4.43Å
556G78.2Confident81.8Confident51 Ų5148.5 Ų48.553%0.52631%0.313SS..SBendtrans71.5-162.3-174.100000113.7R554R554-G556 WeakPolarHBondContact CD-O 3.44Å; R554-G556 WeakPolarHBondContact CG-O 3.23Å; R554-G556 PolarHBondContact NE-O 3.39Å; R554-G556 VanDerWaalsContact NE-O 3.14Å
557G64.4Low81.9Confident48 Ų4848 Ų4850%0.49531%0.311SS..  trans93.4172.1-170.400000113.4G601G557-G601 WeakPolarHBondContact CA-O 3.27Å
558T57.8Low81.8Confident127 Ų12750.6 Ų50.678%0.77932%0.323SS*.SBendtrans-104.8146-177.146.70000112.5R554R554-T558 PolarHBondContact NH1-O 3.19Å; R554-T558 VanDerWaalsContact NH1-O 3.07Å; R554-T558 PolarHBondContact NH2-O 2.04Å
559G64.6Low81.7Confident68 Ų6855.1 Ų55.170%0.70135%0.347SS*.SBendtrans85.3-168.7-174.900000114.2R554R554-G559 VanDerWaalsContact NH2-C 3.29Å; R554-G559 PolarHBondContact NH2-O 3.02Å
560D60.7Low81.5Confident126 Ų12653.3 Ų53.367%0.67434%0.338SS*.  trans-75.3157.7177-68.8-30.8000112.6R554R554-D560 PolarHBondContact NH2-O 2.89Å
561S64.1Low81.4Confident60 Ų6054.7 Ų54.742%0.4235%0.347SS..  trans-130.1111.1169.467.30000111.8
562V66.3Low81.2Confident125 Ų12553.7 Ų53.776%0.75834%0.341SS*.  trans-74128.2172.9-176.80000109.5F564V562-F564 PolarHBondContact O-N 2.89Å
563P80.4Confident81Confident80 Ų8059.6 Ų59.652%0.51936%0.363SS..  trans-65.9120.4175.3-19.432.1000111.6T551 T553 K565T551-P563 HydrophobicContact CG2-CB 3.46Å; T551-P563 VanDerWaalsContact CG2-CB 3.46Å; T553-P563 HydrophobicContact CG2-CB 3.93Å; T553-P563 HydrophobicContact CG2-CG 4.28Å; P563-K565 PolarHBondContact O-N 2.95Å
564F86.1Confident80.8Confident52 Ų5261.8 Ų61.823%0.22837%0.368CS..EExtended strand (participates in β ladder)trans-92.792.1-176.4-175.5-117.9000110.5A552 V562 V566 Y574 L577 F597 L599A552-F564 HydrophobicContact CB-CB 4.47Å; A552-F564 PolarHBondContact N-O 2.91Å; A552-F564 PolarHBondContact O-N 2.8Å; V562-F564 PolarHBondContact O-N 2.89Å; F564-V566 HydrophobicContact CD1-CG1 3.46Å; F564-V566 VanDerWaalsContact CD1-CG1 3.46Å; F564-V566 HydrophobicContact CE1-CG1 3.46Å; F564-V566 VanDerWaalsContact CE1-CG1 3.46Å; F564-V566 HydrophobicContact CG-CG1 4.43Å; F564-V566 HydrophobicContact CZ-CG1 4.43Å; F564-V566 PolarHBondContact O-N 3.37Å; F564-Y574 HydrophobicContact CD2-CE2 4.11Å; F564-Y574 HydrophobicContact CE1-CD2 4.19Å; F564-Y574 HydrophobicContact CE1-CE2 4.39Å; F564-Y574 AromaticContact CE2-CD2 3.84Å; F564-Y574 HydrophobicContact CE2-CD2 3.84Å; F564-Y574 HydrophobicContact CE2-CE1 4.48Å; F564-Y574 AromaticContact CE2-CE2 3.3Å; F564-Y574 HydrophobicContact CE2-CE2 3.3Å; F564-Y574 AromaticContact CE2-CZ 3.69Å; F564-Y574 AromaticContact CZ-CD2 3.46Å; F564-Y574 HydrophobicContact CZ-CD2 3.46Å; F564-Y574 VanDerWaalsContact CZ-CD2 3.46Å; F564-Y574 AromaticContact CZ-CE2 3.47Å; F564-Y574 HydrophobicContact CZ-CE2 3.47Å; F564-Y574 VanDerWaalsContact CZ-CE2 3.47Å; F564-Y574 HydrophobicContact CZ-CG 4.11Å; F564-L577 HydrophobicContact CE1-CD1 3.76Å; F564-L577 HydrophobicContact CZ-CD1 3.71Å; F564-F597 HydrophobicContact CD1-CD2 4.49Å; F564-F597 AromaticContact CD1-CE2 3.71Å; F564-F597 HydrophobicContact CD1-CE2 3.71Å; F564-F597 AromaticContact CD1-CZ 3.8Å; F564-F597 HydrophobicContact CD1-CZ 3.8Å; F564-F597 HydrophobicContact CE1-CE1 4.42Å; F564-F597 HydrophobicContact CE1-CE2 4.06Å; F564-F597 HydrophobicContact CE1-CZ 4Å; F564-L599 HydrophobicContact CB-CD2 4.08Å; F564-L599 HydrophobicContact CD1-CD2 4.49Å; F564-L599 HydrophobicContact CG-CD2 4.38Å
565K91.1Very high80.8Confident54 Ų5463.5 Ų63.524%0.23538%0.383CS..EExtended strand (participates in β ladder)trans-70.6115.8177.9-165.8-172.4-68-169.80110.5D549 C550 P563 I567 E568 R573 Y574D549-K565 WeakPolarHBondContact OD2-CE 3.38Å; D549-K565 IonicContact OD2-NZ 3.64Å; D549-K565 PolarHBondContact OD2-NZ 2.72Å; C550-K565 CarbonylContact O-C 3.53Å; C550-K565 WeakPolarHBondContact O-CA 3.07Å; C550-K565 WeakPolarHBondContact O-CG 3.19Å; P563-K565 PolarHBondContact O-N 2.95Å; K565-I567 WeakPolarHBondContact CD-O 3.32Å; K565-I567 WeakPolarHBondContact CG-O 3.23Å; K565-E568 HydrophobicContact CD-CB 3.59Å; K565-E568 HydrophobicContact CD-CG 3.73Å; K565-E568 VanDerWaalsContact CD-OE1 3.27Å; K565-E568 WeakPolarHBondContact CD-OE1 3.37Å; K565-E568 WeakPolarHBondContact CE-OE1 3.35Å; K565-E568 HydrophobicContact CG-CB 4.41Å; K565-E568 IonicContact NZ-OE1 3.47Å; K565-E568 PolarHBondContact NZ-OE1 2.73Å; K565-R573 WeakPolarHBondContact O-CD 3.18Å; K565-Y574 WeakPolarHBondContact O-CE2 3.35Å
566V92.2Very high80.6Confident0 Ų065.1 Ų65.10%040%0.402CS..EExtended strand (participates in β ladder)trans-100.9-26.4-177-62.70000113.7C550 F564 R573 I578 F597 M607C550-V566 HydrophobicContact CB-CG2 3.76Å; C550-V566 WeakPolarHBondContact O-CG2 3.29Å; C550-V566 PolarHBondContact O-N 3.2Å; F564-V566 HydrophobicContact CD1-CG1 3.46Å; F564-V566 VanDerWaalsContact CD1-CG1 3.46Å; F564-V566 HydrophobicContact CE1-CG1 3.46Å; F564-V566 VanDerWaalsContact CE1-CG1 3.46Å; F564-V566 HydrophobicContact CG-CG1 4.43Å; F564-V566 HydrophobicContact CZ-CG1 4.43Å; F564-V566 PolarHBondContact O-N 3.37Å; V566-R573 PolarHBondContact O-N 2.93Å; V566-I578 HydrophobicContact CB-CG2 3.85Å; V566-I578 HydrophobicContact CG2-CD1 4.41Å; V566-I578 HydrophobicContact CG2-CG2 4.4Å; V566-I578 WeakPolarHBondContact O-CG2 3.49Å; V566-F597 HydrophobicContact CG1-CE1 4.09Å; V566-F597 HydrophobicContact CG1-CZ 3.83Å; V566-M607 HydrophobicContact CG2-CE 3.8Å; V566-M607 HydrophobicContact CG2-SD 3.67Å
567I93.5Very high80.9Confident0 Ų065.2 Ų65.20%039%0.39CS..EExtended strand (participates in β ladder)trans-127.9134.5168.9-56.9177.8000107.3L547 L548 D549 C550 K565 C571 I578 V581L547-I567 HydrophobicContact CD2-CD1 4.03Å; L548-I567 WeakPolarHBondContact O-CG2 3.37Å; D549-I567 WeakPolarHBondContact CA-O 3.05Å; C550-I567 HydrophobicContact CB-CB 3.93Å; C550-I567 HydrophobicContact CB-CD1 4.27Å; C550-I567 HydrophobicContact CB-CG1 4.13Å; C550-I567 PolarHBondContact N-O 3.09Å; C550-I567 PolarHBondContact O-N 2.94Å; K565-I567 WeakPolarHBondContact CD-O 3.32Å; K565-I567 WeakPolarHBondContact CG-O 3.23Å; I567-C571 CarbonylContact C-O 3.57Å; I567-C571 WeakPolarHBondContact CA-O 3.47Å; I567-I578 HydrophobicContact CD1-CD1 3.73Å; I567-I578 HydrophobicContact CD1-CG1 4.31Å; I567-I578 HydrophobicContact CG1-CD1 4.03Å; I567-I578 HydrophobicContact CG1-CG1 4.45Å; I567-I578 HydrophobicContact CG1-CG2 4.37Å; I567-V581 HydrophobicContact CD1-CG2 3.74Å
568E91.7Very high82.3Confident57 Ų5763 Ų6327%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-135.2122.7-175.9-175.4146.8-123.100109.3D549 K565 G570 C571 R573D549-E568 VanDerWaalsContact OD1-CA 3.3Å; D549-E568 WeakPolarHBondContact OD1-CA 3.4Å; K565-E568 HydrophobicContact CD-CB 3.59Å; K565-E568 HydrophobicContact CD-CG 3.73Å; K565-E568 VanDerWaalsContact CD-OE1 3.27Å; K565-E568 WeakPolarHBondContact CD-OE1 3.37Å; K565-E568 WeakPolarHBondContact CE-OE1 3.35Å; K565-E568 HydrophobicContact CG-CB 4.41Å; K565-E568 IonicContact NZ-OE1 3.47Å; K565-E568 PolarHBondContact NZ-OE1 2.73Å; E568-G570 PolarHBondContact O-N 2.88Å; E568-G570 VanDerWaalsContact O-N 3.16Å; E568-C571 PolarHBondContact N-O 3.03Å; E568-C571 WeakPolarHBondContact O-CB 3.38Å; E568-C571 PolarHBondContact O-N 3.36Å; E568-R573 IonicContact OE2-CZ 2.71Å; E568-R573 IonicContact OE2-NE 2.77Å; E568-R573 PolarHBondContact OE2-NE 2.87Å; E568-R573 IonicContact OE2-NH2 3.57Å; E568-R573 PolarHBondContact OE2-NH2 3.49Å
569N89.6Confident83.8Confident125 Ų12557.8 Ų57.867%0.66834%0.338SS*.THydrogen-bonded Turntrans53.531.9-175.5-59.4-53.1000114D549 C571D549-N569 PolarHBondContact OD1-N 2.83Å; N569-C571 VanDerWaalsContact C-N 3.27Å; N569-C571 PolarHBondContact O-N 2.93Å
570G90.6Very high85.2Confident0 Ų057.2 Ų57.20%032%0.322CS..THydrogen-bonded Turntrans78.91.7-175.600000115.1L547 L548 E568 S623 S636 N637L547-G570 WeakPolarHBondContact O-CA 2.97Å; L548-G570 VanDerWaalsContact O-CA 3.23Å; L548-G570 WeakPolarHBondContact O-CA 3.46Å; L548-G570 PolarHBondContact O-N 2.89Å; E568-G570 PolarHBondContact O-N 2.88Å; E568-G570 VanDerWaalsContact O-N 3.16Å; G570-S623 WeakPolarHBondContact CA-OG 3.48Å; G570-S636 WeakPolarHBondContact O-CB 3.2Å; G570-S636 PolarHBondContact O-OG 2.9Å; G570-N637 WeakPolarHBondContact CA-ND2 3.37Å; G570-N637 PolarHBondContact O-ND2 2.81Å
571C93.2Very high86.8Confident28 Ų2851.2 Ų51.219%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-100.7129.2179-66.60000112I567 E568 N569 R573 C625I567-C571 CarbonylContact C-O 3.57Å; I567-C571 WeakPolarHBondContact CA-O 3.47Å; E568-C571 PolarHBondContact N-O 3.03Å; E568-C571 WeakPolarHBondContact O-CB 3.38Å; E568-C571 PolarHBondContact O-N 3.36Å; N569-C571 VanDerWaalsContact C-N 3.27Å; N569-C571 PolarHBondContact O-N 2.93Å; C571-R573 PolarHBondContact O-N 2.78Å; C571-R573 VanDerWaalsContact O-N 3.16Å; C571-C625 WeakPolarHBondContact CA-SG 3.41Å; C571-C625 HydrophobicContact CB-CB 3.72Å; C571-C625 WeakPolarHBondContact CB-SG 3.45Å; C571-C625 WeakPolarHBondContact SG-CA 3.36Å; C571-C625 WeakPolarHBondContact SG-CB 3.42Å; C571-C625 CovalentContact SG-SG 2.04Å; C571-C625 PolarHBondContact SG-SG 2.97Å
572P91.2Very high88.2Confident9 Ų950.5 Ų50.56%0.05828%0.283CS..EExtended strand (participates in β ladder)trans-62.3115.9174.4-15.626.2000111.3Y574 I578 G579 F634P572-Y574 VanDerWaalsContact C-N 3.3Å; P572-Y574 PolarHBondContact O-N 3.14Å; P572-I578 HydrophobicContact CB-CG2 4.22Å; P572-I578 WeakPolarHBondContact CB-O 3.42Å; P572-G579 VanDerWaalsContact CG-C 3.47Å; P572-G579 VanDerWaalsContact CG-O 3.3Å; P572-G579 WeakPolarHBondContact CG-O 3.4Å; P572-F634 HydrophobicContact CG-CE2 4.14Å; P572-F634 HydrophobicContact CG-CZ 4.34Å
573R86.6Confident89.4Confident124 Ų12445.5 Ų45.547%0.46825%0.25SS..SBendtrans-71.8-27.5-177.6-161.4-178.3-147.6-113.35.2112.6K565 V566 E568 C571K565-R573 WeakPolarHBondContact O-CD 3.18Å; V566-R573 PolarHBondContact O-N 2.93Å; E568-R573 IonicContact OE2-CZ 2.71Å; E568-R573 IonicContact OE2-NE 2.77Å; E568-R573 PolarHBondContact OE2-NE 2.87Å; E568-R573 IonicContact OE2-NH2 3.57Å; E568-R573 PolarHBondContact OE2-NH2 3.49Å; C571-R573 PolarHBondContact O-N 2.78Å; C571-R573 VanDerWaalsContact O-N 3.16Å
574Y86.4Confident89.9Confident83 Ų8342.9 Ų42.933%0.32523%0.232SC..  trans-13182.4179.8-58-73.4000110.2F564 K565 P572 A576 L577 I578F564-Y574 HydrophobicContact CD2-CE2 4.11Å; F564-Y574 HydrophobicContact CE1-CD2 4.19Å; F564-Y574 HydrophobicContact CE1-CE2 4.39Å; F564-Y574 AromaticContact CE2-CD2 3.84Å; F564-Y574 HydrophobicContact CE2-CD2 3.84Å; F564-Y574 HydrophobicContact CE2-CE1 4.48Å; F564-Y574 AromaticContact CE2-CE2 3.3Å; F564-Y574 HydrophobicContact CE2-CE2 3.3Å; F564-Y574 AromaticContact CE2-CZ 3.69Å; F564-Y574 AromaticContact CZ-CD2 3.46Å; F564-Y574 HydrophobicContact CZ-CD2 3.46Å; F564-Y574 VanDerWaalsContact CZ-CD2 3.46Å; F564-Y574 AromaticContact CZ-CE2 3.47Å; F564-Y574 HydrophobicContact CZ-CE2 3.47Å; F564-Y574 VanDerWaalsContact CZ-CE2 3.47Å; F564-Y574 HydrophobicContact CZ-CG 4.11Å; K565-Y574 WeakPolarHBondContact O-CE2 3.35Å; P572-Y574 VanDerWaalsContact C-N 3.3Å; P572-Y574 PolarHBondContact O-N 3.14Å; Y574-A576 PolarHBondContact O-N 2.98Å; Y574-L577 PolarHBondContact O-N 3.16Å; Y574-I578 PolarHBondContact O-N 3.12Å
575P83Confident89.9Confident70 Ų7044 Ų4446%0.45524%0.24SC..THydrogen-bonded Turntrans-53.5-25.1-177.8-30.137.1000115.5I578P575-I578 WeakPolarHBondContact CA-O 3.18Å
576A80.1Confident89.7Confident81 Ų8148.7 Ų48.767%0.66927%0.267SS*.THydrogen-bonded Turntrans-74.1-22.3175.600000114.3Y574Y574-A576 PolarHBondContact O-N 2.98Å
577L86.4Confident89.6Confident52 Ų5252.7 Ų52.727%0.27229%0.289SS..THydrogen-bonded Turntrans-104.4-36.8178.6-69.1177.8000112.5F564 Y574 M594 K595 F597F564-L577 HydrophobicContact CE1-CD1 3.76Å; F564-L577 HydrophobicContact CZ-CD1 3.71Å; Y574-L577 PolarHBondContact O-N 3.16Å; L577-M594 CarbonylContact O-C 3.58Å; L577-M594 WeakPolarHBondContact O-CA 3.28Å; L577-M594 VanDerWaalsContact O-CB 3.28Å; L577-M594 WeakPolarHBondContact O-CB 3.46Å; L577-K595 PolarHBondContact O-N 2.89Å; L577-F597 HydrophobicContact CD1-CD1 4.46Å; L577-F597 HydrophobicContact CD2-CB 4.39Å; L577-F597 HydrophobicContact CD2-CD1 4.45Å
578I92.1Very high89.5Confident2 Ų256.2 Ų56.21%0.0131%0.308CS..BIsolated β-bridgetrans-142.5130.3177.5-175.6156.3000110.4L533 V566 I567 P572 Y574 P575 A592 V593 M594L533-I578 HydrophobicContact CD2-CD1 3.81Å; V566-I578 HydrophobicContact CB-CG2 3.85Å; V566-I578 HydrophobicContact CG2-CD1 4.41Å; V566-I578 HydrophobicContact CG2-CG2 4.4Å; V566-I578 WeakPolarHBondContact O-CG2 3.49Å; I567-I578 HydrophobicContact CD1-CD1 3.73Å; I567-I578 HydrophobicContact CD1-CG1 4.31Å; I567-I578 HydrophobicContact CG1-CD1 4.03Å; I567-I578 HydrophobicContact CG1-CG1 4.45Å; I567-I578 HydrophobicContact CG1-CG2 4.37Å; P572-I578 HydrophobicContact CB-CG2 4.22Å; P572-I578 WeakPolarHBondContact CB-O 3.42Å; Y574-I578 PolarHBondContact O-N 3.12Å; P575-I578 WeakPolarHBondContact CA-O 3.18Å; I578-A592 HydrophobicContact CD1-CB 3.98Å; I578-A592 HydrophobicContact CG1-CB 3.94Å; I578-V593 CarbonylContact C-O 3.51Å; I578-V593 WeakPolarHBondContact CA-O 3.44Å; I578-M594 HydrophobicContact CB-CB 3.91Å; I578-M594 HydrophobicContact CD1-CB 4.03Å; I578-M594 HydrophobicContact CD1-SD 4.47Å; I578-M594 HydrophobicContact CG1-CB 3.93Å
579G90.8Very high89.6Confident17 Ų1755 Ų5518%0.17530%0.301CS..  trans-88.3178.5179.200000113.4P572 V593P572-G579 VanDerWaalsContact CG-C 3.47Å; P572-G579 VanDerWaalsContact CG-O 3.3Å; P572-G579 WeakPolarHBondContact CG-O 3.4Å; G579-V593 PolarHBondContact N-O 3.37Å
580P92.8Very high89.8Confident56 Ų5649.1 Ų49.136%0.36427%0.269SS..  trans-57.8141.3-179.5-21.432.2000112.5V582 F634P580-V582 PolarHBondContact O-N 2.96Å; P580-F634 HydrophobicContact CB-CD2 4.1Å; P580-F634 HydrophobicContact CB-CE2 4.09Å; P580-F634 HydrophobicContact CG-CD2 3.63Å; P580-F634 HydrophobicContact CG-CE2 3.69Å
581V94.8Very high90Very high1 Ų149.3 Ų49.31%0.00627%0.271CS..  trans-70.7128.1172.8-170.40000108.4L547 I567 L590 A592 S636 N637 G638L547-V581 HydrophobicContact CB-CG1 4.2Å; L547-V581 HydrophobicContact CB-CG2 4.25Å; L547-V581 HydrophobicContact CD2-CG1 4.41Å; L547-V581 HydrophobicContact CD2-CG2 4.06Å; I567-V581 HydrophobicContact CD1-CG2 3.74Å; V581-L590 HydrophobicContact CG1-CB 3.93Å; V581-L590 HydrophobicContact CG1-CD1 4.48Å; V581-L590 HydrophobicContact CG1-CD2 4.35Å; V581-L590 HydrophobicContact CG1-CG 4.49Å; V581-A592 HydrophobicContact CG2-CB 4.24Å; V581-S636 PolarHBondContact N-OG 3.13Å; V581-S636 CarbonylContact O-C 3.57Å; V581-N637 WeakPolarHBondContact CB-OD1 3.49Å; V581-N637 VanDerWaalsContact CG1-OD1 3.31Å; V581-N637 WeakPolarHBondContact CG1-OD1 3.44Å; V581-N637 VanDerWaalsContact O-CA 3.26Å; V581-N637 WeakPolarHBondContact O-CA 3.43Å; V581-N637 PolarHBondContact O-N 2.71Å; V581-G638 PolarHBondContact O-N 2.84Å
582V93.3Very high90.1Very high45 Ų4548 Ų4827%0.27326%0.263SS..EExtended strand (participates in β ladder)trans-113.9140.6177.1-63.80000111.7P580 D584 A591 G638 K640P580-V582 PolarHBondContact O-N 2.96Å; V582-D584 PolarHBondContact O-N 3.41Å; V582-D584 VanDerWaalsContact O-N 3.13Å; V582-A591 HydrophobicContact CG2-CB 4.44Å; V582-A591 WeakPolarHBondContact CG2-O 3.3Å; V582-A591 PolarHBondContact N-O 3.05Å; V582-A591 PolarHBondContact O-N 3.35Å; V582-G638 WeakPolarHBondContact CA-O 3.37Å; V582-K640 HydrophobicContact CB-CB 4.34Å
583R92.1Very high90.2Very high19 Ų1951.4 Ų51.47%0.07228%0.283CS..EExtended strand (participates in β ladder)trans-75.493.9168.1-55.8-177.5-176.7-1696.1108.5P542 N543 L585 L590 C620 P621 N637 G638P542-R583 HydrophobicContact CB-CB 4.36Å; P542-R583 WeakPolarHBondContact O-CD 3.43Å; P542-R583 WeakPolarHBondContact O-CG 3.37Å; N543-R583 PolarHBondContact O-NH1 2.8Å; R583-L585 VanDerWaalsContact C-N 3.31Å; R583-L585 PolarHBondContact O-N 3.04Å; R583-L585 VanDerWaalsContact O-N 3.11Å; R583-L590 HydrophobicContact CG-CD2 3.94Å; R583-C620 VanDerWaalsContact CZ-O 3.25Å; R583-C620 PolarHBondContact NH1-O 2.75Å; R583-C620 PolarHBondContact NH2-O 3.5Å; R583-P621 PolarHBondContact NH2-O 2.85Å; R583-N637 VanDerWaalsContact CZ-O 3.22Å; R583-N637 PolarHBondContact NE-O 2.89Å; R583-N637 PolarHBondContact NH2-O 3.5Å; R583-G638 PolarHBondContact N-O 3.46Å
584D89.5Confident90.6Very high25 Ų2545.6 Ų45.613%0.13426%0.261CS..EExtended strand (participates in β ladder)trans-8576.9177.7-176.76.9000109.5V582 N586 N587 N588 R589V582-D584 PolarHBondContact O-N 3.41Å; V582-D584 VanDerWaalsContact O-N 3.13Å; D584-N586 PolarHBondContact O-N 3.27Å; D584-N587 VanDerWaalsContact CG-ND2 3.3Å; D584-N587 CarbonylContact O-C 3.13Å; D584-N587 PolarHBondContact O-N 3.3Å; D584-N587 VanDerWaalsContact O-N 3.08Å; D584-N587 PolarHBondContact OD1-ND2 3.05Å; D584-N587 PolarHBondContact OD2-ND2 3.38Å; D584-N588 PolarHBondContact O-N 3.14Å; D584-R589 WeakPolarHBondContact CA-O 3.27Å; D584-R589 HydrophobicContact CB-CG 3.8Å; D584-R589 PolarHBondContact N-O 3.01Å; D584-R589 PolarHBondContact O-N 2.91Å; D584-R589 IonicContact OD2-CZ 3.14Å; D584-R589 IonicContact OD2-NE 2.73Å; D584-R589 PolarHBondContact OD2-NE 3.34Å; D584-R589 IonicContact OD2-NH2 2.7Å; D584-R589 PolarHBondContact OD2-NH2 3.11Å
585L86.9Confident90.8Very high75 Ų7545.9 Ų45.939%0.39326%0.264SS..G310 helixtrans-53.3-34.8-179.6-63.3169.9000112.7P542 N543 R583 N587 N588 R639P542-L585 HydrophobicContact CG-CD2 4.24Å; N543-L585 WeakPolarHBondContact ND2-CD2 3.38Å; R583-L585 VanDerWaalsContact C-N 3.31Å; R583-L585 PolarHBondContact O-N 3.04Å; R583-L585 VanDerWaalsContact O-N 3.11Å; L585-N587 PolarHBondContact O-N 3.16Å; L585-N588 PolarHBondContact O-N 2.84Å; L585-R639 HydrophobicContact CD1-CG 4.44Å
586N88Confident91.2Very high153 Ų15342.6 Ų42.682%0.81824%0.243SC*.G310 helixtrans-66.1-23-177.9-66.112.3000112.7D584D584-N586 PolarHBondContact O-N 3.27Å
587N89.4Confident91.7Very high85 Ų8539.7 Ų39.746%0.45522%0.215SC..G310 helixtrans-123.918.3-176.1-60.6-86.6000111.8D584 L585 R589D584-N587 VanDerWaalsContact CG-ND2 3.3Å; D584-N587 CarbonylContact O-C 3.13Å; D584-N587 PolarHBondContact O-N 3.3Å; D584-N587 VanDerWaalsContact O-N 3.08Å; D584-N587 PolarHBondContact OD1-ND2 3.05Å; D584-N587 PolarHBondContact OD2-ND2 3.38Å; L585-N587 PolarHBondContact O-N 3.16Å; N587-R589 VanDerWaalsContact C-N 3.32Å; N587-R589 HydrophobicContact CB-CG 4Å; N587-R589 PolarHBondContact ND2-NH2 3.12Å; N587-R589 PolarHBondContact O-N 3.04Å
588N90.5Very high91.5Very high73 Ų7340.6 Ų40.639%0.3922%0.215SC..THydrogen-bonded Turntrans40.550.5-176.6-160.261.1000114.8S537 G541 P542 D584 L585S537-N588 PolarHBondContact O-ND2 2.92Å; G541-N588 WeakPolarHBondContact CA-OD1 3.07Å; P542-N588 WeakPolarHBondContact CD-OD1 3.47Å; D584-N588 PolarHBondContact O-N 3.14Å; L585-N588 PolarHBondContact O-N 2.84Å
589R93.5Very high91.1Very high32 Ų3242.1 Ų42.112%0.12122%0.223CC..EExtended strand (participates in β ladder)trans-145.9155.7-173.568.5-171.6175.3-164-7.4114.6L515 V534 T536 P542 D584 N587 A591L515-R589 VanDerWaalsContact CD1-NH1 3.31Å; V534-R589 HydrophobicContact CG1-CB 4.06Å; V534-R589 HydrophobicContact CG1-CG 4.33Å; T536-R589 HydrophobicContact CG2-CB 3.66Å; P542-R589 VanDerWaalsContact CB-C 3.41Å; P542-R589 VanDerWaalsContact CB-O 3.3Å; P542-R589 WeakPolarHBondContact CB-O 3.48Å; D584-R589 WeakPolarHBondContact CA-O 3.27Å; D584-R589 HydrophobicContact CB-CG 3.8Å; D584-R589 PolarHBondContact N-O 3.01Å; D584-R589 PolarHBondContact O-N 2.91Å; D584-R589 IonicContact OD2-CZ 3.14Å; D584-R589 IonicContact OD2-NE 2.73Å; D584-R589 PolarHBondContact OD2-NE 3.34Å; D584-R589 IonicContact OD2-NH2 2.7Å; D584-R589 PolarHBondContact OD2-NH2 3.11Å; N587-R589 VanDerWaalsContact C-N 3.32Å; N587-R589 HydrophobicContact CB-CG 4Å; N587-R589 PolarHBondContact ND2-NH2 3.12Å; N587-R589 PolarHBondContact O-N 3.04Å; R589-A591 HydrophobicContact CG-CB 4.48Å
590L94.5Very high90.3Very high1 Ų148.3 Ų48.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-82.8137.9154.4-63-178.2000108.3V534 A535 P542 M545 L547 V581 R583V534-L590 WeakPolarHBondContact CA-O 3.47Å; A535-L590 HydrophobicContact CB-CB 4.35Å; A535-L590 PolarHBondContact N-O 3.27Å; A535-L590 PolarHBondContact O-N 3.47Å; P542-L590 HydrophobicContact CB-CD2 3.97Å; P542-L590 HydrophobicContact CB-CG 4.36Å; M545-L590 HydrophobicContact CB-CD1 3.74Å; M545-L590 HydrophobicContact CB-CG 4.05Å; L547-L590 HydrophobicContact CB-CD1 3.98Å; V581-L590 HydrophobicContact CG1-CB 3.93Å; V581-L590 HydrophobicContact CG1-CD1 4.48Å; V581-L590 HydrophobicContact CG1-CD2 4.35Å; V581-L590 HydrophobicContact CG1-CG 4.49Å; R583-L590 HydrophobicContact CG-CD2 3.94Å
591A94.5Very high89.5Confident5 Ų547.2 Ų47.24%0.04125%0.251CS..EExtended strand (participates in β ladder)trans-140.2138.1176.400000111.3L533 V534 V582 R589L533-A591 CarbonylContact O-C 3.59Å; L533-A591 VanDerWaalsContact O-CA 3.31Å; L533-A591 WeakPolarHBondContact O-CA 3.22Å; V534-A591 HydrophobicContact CG2-CB 4.09Å; V582-A591 HydrophobicContact CG2-CB 4.44Å; V582-A591 WeakPolarHBondContact CG2-O 3.3Å; V582-A591 PolarHBondContact N-O 3.05Å; V582-A591 PolarHBondContact O-N 3.35Å; R589-A591 HydrophobicContact CG-CB 4.48Å
592A95.1Very high88.8Confident1 Ų147.8 Ų47.81%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-123.5132.5168.200000109.4L532 L533 I578 V581L532-A592 CarbonylContact C-O 3.59Å; L532-A592 WeakPolarHBondContact CA-O 3.39Å; L533-A592 PolarHBondContact N-O 3.03Å; L533-A592 PolarHBondContact O-N 2.79Å; I578-A592 HydrophobicContact CD1-CB 3.98Å; I578-A592 HydrophobicContact CG1-CB 3.94Å; V581-A592 HydrophobicContact CG2-CB 4.24Å
593V94.7Very high88.4Confident79 Ų7950.3 Ų50.348%0.47926%0.26SS..EExtended strand (participates in β ladder)trans-74.4128.4171.3-178.60000107.8L532 I578 G579L532-V593 HydrophobicContact CD2-CB 4.49Å; L532-V593 HydrophobicContact CD2-CG2 3.75Å; I578-V593 CarbonylContact C-O 3.51Å; I578-V593 WeakPolarHBondContact CA-O 3.44Å; G579-V593 PolarHBondContact N-O 3.37Å
594M93.5Very high88.3Confident3 Ų350.9 Ų50.92%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-135153.4174.167.7173.6-75.600112F514 E530 I531 L533 L577 I578 F597 M607F514-M594 HydrophobicContact CD1-SD 4.12Å; F514-M594 HydrophobicContact CE1-CE 4.37Å; F514-M594 HydrophobicContact CE1-SD 3.76Å; E530-M594 WeakPolarHBondContact CA-O 3.2Å; I531-M594 HydrophobicContact CD1-CE 4.46Å; I531-M594 HydrophobicContact CD1-CG 4.15Å; I531-M594 HydrophobicContact CD1-SD 4.34Å; I531-M594 HydrophobicContact CG1-CG 3.59Å; I531-M594 HydrophobicContact CG1-SD 4.39Å; I531-M594 PolarHBondContact N-O 3.14Å; I531-M594 PolarHBondContact O-N 2.77Å; I531-M594 VanDerWaalsContact O-O 3.07Å; L533-M594 HydrophobicContact CB-CG 4.39Å; L533-M594 HydrophobicContact CB-SD 3.94Å; L577-M594 CarbonylContact O-C 3.58Å; L577-M594 WeakPolarHBondContact O-CA 3.28Å; L577-M594 VanDerWaalsContact O-CB 3.28Å; L577-M594 WeakPolarHBondContact O-CB 3.46Å; I578-M594 HydrophobicContact CB-CB 3.91Å; I578-M594 HydrophobicContact CD1-CB 4.03Å; I578-M594 HydrophobicContact CD1-SD 4.47Å; I578-M594 HydrophobicContact CG1-CB 3.93Å; M594-F597 HydrophobicContact CE-CD1 4.08Å; M594-F597 HydrophobicContact CE-CE1 3.69Å; M594-M607 HydrophobicContact CE-CE 4.12Å; M594-M607 HydrophobicContact SD-CE 4.34Å
595K92Very high88.3Confident88 Ų8849.8 Ų49.838%0.38326%0.259SS..EExtended strand (participates in β ladder)trans-93.3131.1168.9-66.8-179.4-171.4178.10108.5T529 E530 L577 F597T529-K595 WeakPolarHBondContact O-CA 3.19Å; E530-K595 HydrophobicContact CG-CG 3.82Å; E530-K595 WeakPolarHBondContact OE1-CE 3.37Å; L577-K595 PolarHBondContact O-N 2.89Å; K595-F597 PolarHBondContact O-N 2.59Å
596A91.1Very high88.6Confident2 Ų251.4 Ų51.42%0.01726%0.26CS..  trans-61.1129.5177.300000110.7T525 G528 T529 I531 L677 V679T525-A596 HydrophobicContact CG2-CB 3.41Å; T525-A596 VanDerWaalsContact CG2-CB 3.41Å; G528-A596 PolarHBondContact N-O 3.49Å; T529-A596 PolarHBondContact O-N 3.47Å; I531-A596 HydrophobicContact CD1-CB 4.37Å; A596-L677 HydrophobicContact CB-CD2 4.43Å; A596-V679 HydrophobicContact CB-CG1 4.07Å; A596-V679 HydrophobicContact CB-CG2 4.41Å
597F90.1Very high88.9Confident19 Ų1944.1 Ų44.18%0.08322%0.221CC..  trans-129.2158.1177.161.9-95.5000109.7A552 F564 V566 L577 M594 K595 L599 I605 M607 V679A552-F597 HydrophobicContact CB-CE2 3.75Å; A552-F597 HydrophobicContact CB-CZ 3.63Å; F564-F597 HydrophobicContact CD1-CD2 4.49Å; F564-F597 AromaticContact CD1-CE2 3.71Å; F564-F597 HydrophobicContact CD1-CE2 3.71Å; F564-F597 AromaticContact CD1-CZ 3.8Å; F564-F597 HydrophobicContact CD1-CZ 3.8Å; F564-F597 HydrophobicContact CE1-CE1 4.42Å; F564-F597 HydrophobicContact CE1-CE2 4.06Å; F564-F597 HydrophobicContact CE1-CZ 4Å; V566-F597 HydrophobicContact CG1-CE1 4.09Å; V566-F597 HydrophobicContact CG1-CZ 3.83Å; L577-F597 HydrophobicContact CD1-CD1 4.46Å; L577-F597 HydrophobicContact CD2-CB 4.39Å; L577-F597 HydrophobicContact CD2-CD1 4.45Å; M594-F597 HydrophobicContact CE-CD1 4.08Å; M594-F597 HydrophobicContact CE-CE1 3.69Å; K595-F597 PolarHBondContact O-N 2.59Å; F597-L599 HydrophobicContact CD2-CD2 4.43Å; F597-L599 HydrophobicContact CD2-CG 4.48Å; F597-L599 HydrophobicContact CE2-CD2 4.26Å; F597-L599 HydrophobicContact CE2-CG 4.25Å; F597-I605 HydrophobicContact CD2-CD1 4.31Å; F597-I605 HydrophobicContact CE2-CD1 3.95Å; F597-I605 HydrophobicContact CZ-CD1 4.08Å; F597-M607 HydrophobicContact CE1-CE 4.45Å; F597-M607 HydrophobicContact CZ-CE 4.18Å; F597-V679 WeakPolarHBondContact O-CG2 3.15Å
598R81.9Confident89.2Confident72 Ų7242.5 Ų42.527%0.27221%0.214SC..  trans-112.4144.1177.5-174.7175.2174.1-180-3.7108.6I527 S602 Y603 V679 E684I527-R598 HydrophobicContact CD1-CB 3.99Å; I527-R598 HydrophobicContact CG1-CB 4.28Å; R598-S602 VanDerWaalsContact CG-O 3.28Å; R598-S602 WeakPolarHBondContact CG-O 3.32Å; R598-S602 PolarHBondContact NE-O 2.95Å; R598-Y603 VanDerWaalsContact NH2-CE1 3.34Å; R598-V679 HydrophobicContact CB-CB 4.43Å; R598-E684 IonicContact CZ-OE1 3.79Å; R598-E684 VanDerWaalsContact NH1-CD 3.29Å; R598-E684 IonicContact NH1-OE1 2.72Å; R598-E684 PolarHBondContact NH1-OE1 3.18Å; R598-E684 IonicContact NH1-OE2 3.55Å; R598-E684 PolarHBondContact NH1-OE2 3.48Å; R598-E684 IonicContact NH2-OE1 2.97Å
599L83.2Confident89.4Confident33 Ų3339 Ų3917%0.17320%0.195CC..  trans-101.9139.5170.2-66.6173.9000108.3A552 R554 F564 F597 S602 I605A552-L599 HydrophobicContact CB-CD1 4.12Å; R554-L599 HydrophobicContact CB-CB 3.95Å; R554-L599 HydrophobicContact CB-CD1 4.41Å; F564-L599 HydrophobicContact CB-CD2 4.08Å; F564-L599 HydrophobicContact CD1-CD2 4.49Å; F564-L599 HydrophobicContact CG-CD2 4.38Å; F597-L599 HydrophobicContact CD2-CD2 4.43Å; F597-L599 HydrophobicContact CD2-CG 4.48Å; F597-L599 HydrophobicContact CE2-CD2 4.26Å; F597-L599 HydrophobicContact CE2-CG 4.25Å; L599-S602 PolarHBondContact O-N 3.29Å; L599-I605 HydrophobicContact CB-CG2 4.13Å; L599-I605 HydrophobicContact CD1-CG2 4.07Å; L599-I605 HydrophobicContact CG-CG2 3.92Å
600D75.2Confident89.5Confident147 Ų14738.5 Ų38.579%0.78620%0.195SC*.THydrogen-bonded Turntrans-64.1148.4-168.6-168.126000113.1R554 S602R554-D600 WeakPolarHBondContact CD-O 2.93Å; R554-D600 PolarHBondContact NH1-O 2.8Å; D600-S602 VanDerWaalsContact C-N 3.3Å; D600-S602 PolarHBondContact O-N 2.03Å
601G75Confident89.3Confident33 Ų3338.4 Ų38.434%0.3420%0.195SC..THydrogen-bonded Turntrans78.8-6.5-175.700000116.1G557G557-G601 WeakPolarHBondContact CA-O 3.27Å
602S81Confident89Confident14 Ų1439.2 Ų39.210%0.09820%0.198CC..  trans-137.5163.3171.6-168.20000113.1V555 R598 L599 D600 D604V555-S602 WeakPolarHBondContact O-CB 3.38Å; V555-S602 PolarHBondContact O-OG 2.66Å; R598-S602 VanDerWaalsContact CG-O 3.28Å; R598-S602 WeakPolarHBondContact CG-O 3.32Å; R598-S602 PolarHBondContact NE-O 2.95Å; L599-S602 PolarHBondContact O-N 3.29Å; D600-S602 VanDerWaalsContact C-N 3.3Å; D600-S602 PolarHBondContact O-N 2.03Å; S602-D604 PolarHBondContact OG-N 3.27Å; S602-D604 VanDerWaalsContact OG-N 3.09Å
603Y84.7Confident88.6Confident97 Ų9739.8 Ų39.838%0.3820%0.201SC..SBendtrans-91-22.7165.6-66.2-91000112.1R598 R678 V679 Y680 E684R598-Y603 VanDerWaalsContact NH2-CE1 3.34Å; Y603-R678 WeakPolarHBondContact O-CA 3.36Å; Y603-V679 PolarHBondContact O-N 3.1Å; Y603-Y680 AromaticContact CD1-CD1 3.8Å; Y603-Y680 HydrophobicContact CD1-CD1 3.8Å; Y603-Y680 HydrophobicContact CD1-CE1 4.04Å; Y603-Y680 AromaticContact CE1-CD1 3.98Å; Y603-Y680 HydrophobicContact CE1-CD1 3.98Å; Y603-Y680 HydrophobicContact CE1-CE1 4.27Å; Y603-E684 HydrophobicContact CE1-CG 4.38Å; Y603-E684 VanDerWaalsContact CE1-OE1 3.28Å; Y603-E684 WeakPolarHBondContact CE1-OE1 3.25Å; Y603-E684 PolarHBondContact OH-OE1 3Å
604D89.8Confident88Confident32 Ų3236.5 Ų36.517%0.17118%0.181CC..EExtended strand (participates in β ladder)trans-105.2119.5-168.4-69.1-16.7000109.9V555 S602 V676 R678V555-D604 HydrophobicContact CB-CB 3.9Å; V555-D604 HydrophobicContact CG2-CB 4.32Å; V555-D604 PolarHBondContact N-O 2.98Å; S602-D604 PolarHBondContact OG-N 3.27Å; S602-D604 VanDerWaalsContact OG-N 3.09Å; D604-V676 HydrophobicContact CB-CG1 4.25Å; D604-R678 WeakPolarHBondContact OD1-CA 3.47Å; D604-R678 WeakPolarHBondContact OD1-CB 3.3Å; D604-R678 VanDerWaalsContact OD1-CG 3.23Å; D604-R678 WeakPolarHBondContact OD1-CG 3.05Å; D604-R678 IonicContact OD1-CZ 3.04Å; D604-R678 IonicContact OD1-NE 2.75Å; D604-R678 PolarHBondContact OD1-NE 3.47Å; D604-R678 IonicContact OD1-NH2 2.82Å; D604-R678 PolarHBondContact OD1-NH2 3.4Å; D604-R678 IonicContact OD2-CZ 2.78Å; D604-R678 IonicContact OD2-NE 2.63Å; D604-R678 IonicContact OD2-NH2 3.93Å; D604-R678 PolarHBondContact OD2-NH2 2.95Å
605I89.6Confident86.7Confident1 Ų138.8 Ų38.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-102.9132.917163.3162.8000110.1T553 F597 L599 V676 L677 V679T553-I605 CarbonylContact O-C 3.54Å; T553-I605 WeakPolarHBondContact O-CA 3.03Å; F597-I605 HydrophobicContact CD2-CD1 4.31Å; F597-I605 HydrophobicContact CE2-CD1 3.95Å; F597-I605 HydrophobicContact CZ-CD1 4.08Å; L599-I605 HydrophobicContact CB-CG2 4.13Å; L599-I605 HydrophobicContact CD1-CG2 4.07Å; L599-I605 HydrophobicContact CG-CG2 3.92Å; I605-V676 CarbonylContact O-C 3.59Å; I605-V676 VanDerWaalsContact O-CA 3.32Å; I605-V676 WeakPolarHBondContact O-CA 2.94Å; I605-L677 HydrophobicContact CD1-CD2 4.43Å; I605-L677 HydrophobicContact CG1-CB 4.08Å; I605-L677 WeakPolarHBondContact CG1-O 3.03Å; I605-L677 PolarHBondContact N-O 3.31Å; I605-L677 PolarHBondContact O-N 2.83Å; I605-V679 HydrophobicContact CG1-CG2 4.37Å
606R93.4Very high85.2Confident109 Ų10935.8 Ų35.841%0.41119%0.194SC..EExtended strand (participates in β ladder)trans-98.7113.4169.6-177.3-172.7-61.9174.81.3108.2A552 T553 V555 V608 A675 V676A552-R606 CarbonylContact C-O 3.59Å; A552-R606 WeakPolarHBondContact CA-O 3.4Å; T553-R606 PolarHBondContact N-O 3.5Å; T553-R606 PolarHBondContact O-N 3.35Å; V555-R606 HydrophobicContact CG2-CB 3.71Å; R606-V608 HydrophobicContact CG-CG2 3.94Å; R606-A675 CarbonylContact C-O 3.48Å; R606-A675 WeakPolarHBondContact CA-O 3.29Å; R606-V676 HydrophobicContact CB-CG2 4.2Å; R606-V676 HydrophobicContact CG-CG2 4.19Å
607M94.3Very high83.8Confident0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-87.7118.8168.3-169.36969.800108.6L512 F514 L533 C550 A552 V566 M594 F597 T674 A675L512-M607 HydrophobicContact CD2-CB 4.31Å; L512-M607 HydrophobicContact CD2-CG 4.12Å; F514-M607 HydrophobicContact CZ-CB 3.75Å; L533-M607 HydrophobicContact CD1-CG 4.14Å; L533-M607 HydrophobicContact CD2-CG 4.32Å; C550-M607 HydrophobicContact CB-SD 3.99Å; A552-M607 HydrophobicContact CB-CE 4.05Å; A552-M607 HydrophobicContact CB-SD 4.18Å; V566-M607 HydrophobicContact CG2-CE 3.8Å; V566-M607 HydrophobicContact CG2-SD 3.67Å; M594-M607 HydrophobicContact CE-CE 4.12Å; M594-M607 HydrophobicContact SD-CE 4.34Å; F597-M607 HydrophobicContact CE1-CE 4.45Å; F597-M607 HydrophobicContact CZ-CE 4.18Å; M607-T674 WeakPolarHBondContact O-CA 3.01Å; M607-A675 PolarHBondContact N-O 3.45Å; M607-A675 PolarHBondContact O-N 2.77Å
608V95.3Very high82.9Confident51 Ų5150.3 Ų50.331%0.30926%0.264SS..EExtended strand (participates in β ladder)trans-109.3121.7171.3-1760000107.7C550 T551 R606 L673C550-V608 CarbonylContact C-O 3.54Å; C550-V608 WeakPolarHBondContact CA-O 3.47Å; T551-V608 PolarHBondContact N-O 2.04Å; T551-V608 PolarHBondContact O-N 3.34Å; R606-V608 HydrophobicContact CG-CG2 3.94Å; V608-L673 CarbonylContact C-O 3.59Å; V608-L673 WeakPolarHBondContact CA-O 3.47Å
609C96.1Very high82.7Confident0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-122.8137.4178.8-62.70000111.7L512 L547 D549 C550 L673L512-C609 HydrophobicContact CD1-CB 4.29Å; L512-C609 HydrophobicContact CD2-CB 4.03Å; L547-C609 HydrophobicContact CD1-CB 3.8Å; L547-C609 HydrophobicContact CG-CB 4.46Å; D549-C609 CarbonylContact O-C 3.59Å; D549-C609 WeakPolarHBondContact O-CA 3.41Å; D549-C609 WeakPolarHBondContact O-CB 3.43Å; C550-C609 HydrophobicContact CB-CB 4.14Å; C550-C609 WeakPolarHBondContact CB-SG 3.08Å; C550-C609 WeakPolarHBondContact SG-CB 3.49Å; C550-C609 CovalentContact SG-SG 2.04Å; C550-C609 PolarHBondContact SG-SG 3.17Å; C609-L673 PolarHBondContact N-O 3.48Å; C609-L673 PolarHBondContact O-N 3.21Å
610T93.7Very high82.7Confident21 Ų2146.1 Ų46.113%0.12925%0.251CS..EExtended strand (participates in β ladder)trans-85.3122.1165.5-55.20000108.7L548 D549 E670 E671L548-T610 HydrophobicContact CD1-CG2 4.39Å; L548-T610 PolarHBondContact N-O 2.84Å; D549-T610 PolarHBondContact O-N 3.37Å; T610-E670 HydrophobicContact CG2-CB 4.05Å; T610-E670 HydrophobicContact CG2-CG 4.27Å; T610-E670 WeakPolarHBondContact CG2-OE2 3.32Å; T610-E671 WeakPolarHBondContact CA-O 3.42Å
611V91.3Very high83.2Confident0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-100.4143.2162.569.60000108.5A510 M545 I546 L547 F613 E670 E671 L673A510-V611 HydrophobicContact CB-CG1 4.27Å; M545-V611 HydrophobicContact CB-CG2 4.18Å; M545-V611 HydrophobicContact CE-CG2 3.86Å; I546-V611 CarbonylContact O-C 3.54Å; I546-V611 WeakPolarHBondContact O-CA 3.31Å; L547-V611 HydrophobicContact CD1-CB 4.4Å; V611-F613 HydrophobicContact CG1-CE1 4.45Å; V611-F613 HydrophobicContact CG1-CE2 4.07Å; V611-F613 HydrophobicContact CG1-CZ 3.83Å; V611-E670 CarbonylContact O-C 3.58Å; V611-E670 WeakPolarHBondContact O-CA 3.47Å; V611-E671 HydrophobicContact CG1-CB 3.9Å; V611-E671 PolarHBondContact N-O 2.87Å; V611-E671 PolarHBondContact O-N 2.73Å; V611-L673 HydrophobicContact CB-CD1 4.14Å; V611-L673 HydrophobicContact CG1-CD1 3.86Å; V611-L673 HydrophobicContact CG1-CD2 4.28Å; V611-L673 HydrophobicContact CG1-CG 3.95Å
612M88.3Confident83.8Confident22 Ų2243.9 Ų43.911%0.10824%0.238CC..EExtended strand (participates in β ladder)trans-116.5137.9169.8177.4175.763.800109.2M545 I546 L548 M668 M669 E670M545-M612 CarbonylContact C-O 3.48Å; M545-M612 WeakPolarHBondContact CA-O 3.44Å; I546-M612 HydrophobicContact CG2-CB 3.7Å; I546-M612 HydrophobicContact CG2-CE 3.43Å; I546-M612 VanDerWaalsContact CG2-CE 3.43Å; I546-M612 HydrophobicContact CG2-CG 4.26Å; I546-M612 PolarHBondContact N-O 3.42Å; I546-M612 PolarHBondContact O-N 2.87Å; L548-M612 HydrophobicContact CD1-CB 3.72Å; L548-M612 HydrophobicContact CD1-CE 4.09Å; L548-M612 HydrophobicContact CD1-SD 4.11Å; L548-M612 HydrophobicContact CD2-CE 4.12Å; L548-M612 HydrophobicContact CG-CB 4.15Å; L548-M612 HydrophobicContact CG-CE 4.42Å; M612-M668 HydrophobicContact CE-CE 3.42Å; M612-M668 VanDerWaalsContact CE-CE 3.42Å; M612-M668 HydrophobicContact CE-SD 4.47Å; M612-M668 HydrophobicContact CG-CB 4.2Å; M612-M668 HydrophobicContact SD-CB 3.81Å; M612-M668 HydrophobicContact SD-CE 3.66Å; M612-M668 HydrophobicContact SD-SD 4.12Å; M612-M669 CarbonylContact C-O 3.59Å; M612-M669 VanDerWaalsContact CA-O 3.31Å; M612-M669 WeakPolarHBondContact CA-O 3.27Å; M612-E670 HydrophobicContact CB-CG 4.04Å; M612-E670 HydrophobicContact CG-CG 4.11Å; M612-E670 HydrophobicContact SD-CG 4.43Å
613F86.1Confident84.2Confident13 Ų1343.7 Ų43.76%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-99.4134.2173.9-54.8-74.3000109.5V508 A510 A540 N544 M545 V611 M669 E671V508-F613 HydrophobicContact CB-CD2 4.31Å; V508-F613 HydrophobicContact CB-CE2 4.28Å; V508-F613 HydrophobicContact CB-CZ 4.48Å; V508-F613 HydrophobicContact CG1-CD1 3.63Å; V508-F613 HydrophobicContact CG1-CD2 3.97Å; V508-F613 HydrophobicContact CG1-CE1 3.52Å; V508-F613 HydrophobicContact CG1-CE2 3.87Å; V508-F613 HydrophobicContact CG1-CG 3.85Å; V508-F613 HydrophobicContact CG1-CZ 3.65Å; V508-F613 WeakPolarHBondContact O-CE2 3.03Å; A510-F613 HydrophobicContact CB-CE1 4.38Å; A510-F613 HydrophobicContact CB-CZ 3.93Å; A540-F613 HydrophobicContact CB-CD1 3.61Å; A540-F613 HydrophobicContact CB-CE1 3.84Å; N544-F613 VanDerWaalsContact O-CA 3.27Å; N544-F613 WeakPolarHBondContact O-CA 3.31Å; M545-F613 HydrophobicContact CE-CE1 4.05Å; M545-F613 HydrophobicContact CG-CD1 3.87Å; M545-F613 HydrophobicContact CG-CE1 3.89Å; M545-F613 HydrophobicContact SD-CE1 4.43Å; V611-F613 HydrophobicContact CG1-CE1 4.45Å; V611-F613 HydrophobicContact CG1-CE2 4.07Å; V611-F613 HydrophobicContact CG1-CZ 3.83Å; F613-M669 HydrophobicContact CB-CB 4.44Å; F613-M669 HydrophobicContact CD2-CB 4.42Å; F613-M669 HydrophobicContact CD2-CG 4.3Å; F613-M669 HydrophobicContact CD2-SD 4.46Å; F613-M669 PolarHBondContact N-O 3.3Å; F613-M669 PolarHBondContact O-N 3Å; F613-E671 HydrophobicContact CE2-CB 3.87Å; F613-E671 WeakPolarHBondContact CZ-OE2 3.31Å
614C82.7Confident84.5Confident9 Ų944.4 Ų44.46%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-115.1121.8177.8-43.30000109.1N544 C620N544-C614 WeakPolarHBondContact CB-O 3.17Å; N544-C614 PolarHBondContact ND2-O 2.87Å; N544-C614 PolarHBondContact O-N 2.63Å; C614-C620 HydrophobicContact CB-CB 3.92Å; C614-C620 WeakPolarHBondContact CB-SG 3.43Å; C614-C620 WeakPolarHBondContact SG-CA 3.3Å; C614-C620 WeakPolarHBondContact SG-CB 3.24Å; C614-C620 CovalentContact SG-SG 2.03Å; C614-C620 PolarHBondContact SG-SG 3.48Å
615A65.6Low84.4Confident52 Ų5243 Ų4343%0.4324%0.237SC..  trans-66.2172.7168.100000111.2E666A615-E666 HydrophobicContact CB-CB 4.18Å; A615-E666 HydrophobicContact CB-CG 4.31Å
616G60.7Low84Confident24 Ų2449.2 Ų49.225%0.24727%0.269CS..SBendtrans94.1166.5167.700000117.8Y618 G619 E666G616-Y618 VanDerWaalsContact C-N 3.28Å; G616-Y618 PolarHBondContact O-N 3.49Å; G616-G619 PolarHBondContact O-N 3.19Å; G616-E666 VanDerWaalsContact CA-CD 3.43Å; G616-E666 WeakPolarHBondContact CA-OE1 3.41Å; G616-E666 WeakPolarHBondContact CA-OE2 3.33Å; G616-E666 PolarHBondContact N-OE1 3.1Å
617P62Low83Confident114 Ų11445.7 Ų45.774%0.7426%0.258SS*.THydrogen-bonded Turntrans-73.2-18.6-174.130.3-36000113.4
618Y71.3Confident81.5Confident212 Ų21249.2 Ų49.283%0.83129%0.294SS*.THydrogen-bonded Turntrans-87.2-20.7179.2-55.2-66.1000112.7G616G616-Y618 VanDerWaalsContact C-N 3.28Å; G616-Y618 PolarHBondContact O-N 3.49Å
619G77.2Confident80Confident13 Ų1352 Ų5213%0.13432%0.316CS..  trans63.2-166.9-171.500000112.5N543 G616N543-G619 CarbonylContact O-C 3.57Å; N543-G619 WeakPolarHBondContact O-CA 3.18Å; G616-G619 PolarHBondContact O-N 3.19Å
620C84.5Confident78.6Confident4 Ų454.4 Ų54.43%0.02733%0.333CS..PPolyproline II helixtrans-66.7142.2177.9-63.60000111.3N543 N544 M545 I546 R583 C614N543-C620 PolarHBondContact O-N 2.9Å; N544-C620 VanDerWaalsContact C-SG 3.53Å; M545-C620 VanDerWaalsContact C-SG 3.53Å; I546-C620 HydrophobicContact CB-CB 3.94Å; I546-C620 HydrophobicContact CG2-CB 4.15Å; R583-C620 VanDerWaalsContact CZ-O 3.25Å; R583-C620 PolarHBondContact NH1-O 2.75Å; R583-C620 PolarHBondContact NH2-O 3.5Å; C614-C620 HydrophobicContact CB-CB 3.92Å; C614-C620 WeakPolarHBondContact CB-SG 3.43Å; C614-C620 WeakPolarHBondContact SG-CA 3.3Å; C614-C620 WeakPolarHBondContact SG-CB 3.24Å; C614-C620 CovalentContact SG-SG 2.03Å; C614-C620 PolarHBondContact SG-SG 3.48Å
621P85.7Confident77.3Confident83 Ų8359.7 Ų59.754%0.53936%0.36SS..PPolyproline II helixtrans-63.7158.216429.8-34.9000110.6R583R583-P621 PolarHBondContact NH2-O 2.85Å
622P87.7Confident76.6Confident50 Ų5066.2 Ų66.233%0.32539%0.391SS..PPolyproline II helixtrans-83.2156171.335.7-34.8000111.6I635P622-I635 HydrophobicContact CB-CG2 3.61Å; P622-I635 HydrophobicContact CG-CG2 4.24Å
623S89.4Confident76.1Confident11 Ų1171 Ų718%0.07742%0.415CS..EExtended strand (participates in β ladder)trans-81.8123.6174.5-53.40000110.3G570 S636 N637G570-S623 WeakPolarHBondContact CA-OG 3.48Å; S623-S636 PolarHBondContact N-O 2.7Å; S623-S636 PolarHBondContact O-N 2.9Å; S623-N637 PolarHBondContact OG-ND2 2.87Å
624H89.1Confident76.1Confident112 Ų11272.6 Ų72.652%0.51942%0.421SS..EExtended strand (participates in β ladder)trans-91.8116174.5-75.8-104.4000109.7M633H624-M633 HydrophobicContact CB-SD 4.03Å; H624-M633 PolarHBondContact ND1-SD 3.1Å; H624-M633 VanDerWaalsContact ND1-SD 3.39Å
625C88Confident76.2Confident3 Ų376.5 Ų76.52%0.0244%0.441CS..EExtended strand (participates in β ladder)trans-124.1144.7-166.2-54.90000111.4C571 M633 F634 S636C571-C625 WeakPolarHBondContact CA-SG 3.41Å; C571-C625 HydrophobicContact CB-CB 3.72Å; C571-C625 WeakPolarHBondContact CB-SG 3.45Å; C571-C625 WeakPolarHBondContact SG-CA 3.36Å; C571-C625 WeakPolarHBondContact SG-CB 3.42Å; C571-C625 CovalentContact SG-SG 2.04Å; C571-C625 PolarHBondContact SG-SG 2.97Å; C625-M633 CarbonylContact O-C 3.38Å; C625-M633 VanDerWaalsContact O-CA 3.25Å; C625-M633 WeakPolarHBondContact O-CA 3.26Å; C625-F634 HydrophobicContact CB-CD1 4.08Å; C625-F634 HydrophobicContact CB-CD2 3.85Å; C625-F634 HydrophobicContact CB-CE1 3.71Å; C625-F634 HydrophobicContact CB-CE2 3.46Å; C625-F634 VanDerWaalsContact CB-CE2 3.46Å; C625-F634 HydrophobicContact CB-CG 4.15Å; C625-F634 HydrophobicContact CB-CZ 3.4Å; C625-F634 PolarHBondContact N-O 3.08Å; C625-F634 PolarHBondContact O-N 2.87Å; C625-S636 VanDerWaalsContact SG-CB 3.52Å
626L81.5Confident77.4Confident130 Ų13074 Ų7468%0.68142%0.42SS*.EExtended strand (participates in β ladder)trans-101.2128.3174.3-64.3172.1000109.6G628 M633L626-G628 PolarHBondContact O-N 2.99Å; L626-M633 HydrophobicContact CD2-CB 4.22Å
627D71.8Confident78.7Confident36 Ų3672.9 Ų72.919%0.19341%0.409CS..  trans-77.3106.7168167.418.4000109.2S629 S630 N631 Q632 F634D627-S629 VanDerWaalsContact CG-OG 3.26Å; D627-S629 PolarHBondContact O-N 2.89Å; D627-S629 WeakPolarHBondContact OD1-CB 3.16Å; D627-S629 PolarHBondContact OD1-N 2.65Å; D627-S629 PolarHBondContact OD1-OG 3.26Å; D627-S629 PolarHBondContact OD2-OG 2.84Å; D627-S629 VanDerWaalsContact OD2-OG 3.1Å; D627-S630 VanDerWaalsContact CG-OG 3.27Å; D627-S630 PolarHBondContact O-N 2.89Å; D627-S630 VanDerWaalsContact OD2-CB 3.31Å; D627-S630 WeakPolarHBondContact OD2-CB 3.3Å; D627-S630 PolarHBondContact OD2-OG 2.88Å; D627-N631 VanDerWaalsContact O-CA 3.32Å; D627-N631 WeakPolarHBondContact O-CA 3.41Å; D627-N631 PolarHBondContact O-N 3.48Å; D627-Q632 PolarHBondContact N-O 3.22Å; D627-F634 HydrophobicContact CB-CD1 3.9Å; D627-F634 HydrophobicContact CB-CE1 3.95Å
628G63.3Low79.6Confident73 Ų7367.8 Ų67.875%0.75338%0.377SS*.THydrogen-bonded Turntrans-62.5-5.9-179.900000115.6L626L626-G628 PolarHBondContact O-N 2.99Å
629S63.8Low79.6Confident109 Ų10966 Ų6676%0.76237%0.369SS*.THydrogen-bonded Turntrans-95-21.1172.873.50000114.4D627D627-S629 VanDerWaalsContact CG-OG 3.26Å; D627-S629 PolarHBondContact O-N 2.89Å; D627-S629 WeakPolarHBondContact OD1-CB 3.16Å; D627-S629 PolarHBondContact OD1-N 2.65Å; D627-S629 PolarHBondContact OD1-OG 3.26Å; D627-S629 PolarHBondContact OD2-OG 2.84Å; D627-S629 VanDerWaalsContact OD2-OG 3.1Å
630S68.1Low78.6Confident51 Ų5172.7 Ų72.736%0.35739%0.394SS..THydrogen-bonded Turntrans-129.4-8-176.470.50000114.8D627 Q632D627-S630 VanDerWaalsContact CG-OG 3.27Å; D627-S630 PolarHBondContact O-N 2.89Å; D627-S630 VanDerWaalsContact OD2-CB 3.31Å; D627-S630 WeakPolarHBondContact OD2-CB 3.3Å; D627-S630 PolarHBondContact OD2-OG 2.88Å; S630-Q632 PolarHBondContact O-N 2.8Å; S630-Q632 VanDerWaalsContact O-N 3.1Å; S630-Q632 WeakPolarHBondContact OG-CB 3.44Å; S630-Q632 WeakPolarHBondContact OG-CG 3.33Å; S630-Q632 PolarHBondContact OG-N 2.77Å
631N65.8Low77Confident132 Ų13281.6 Ų81.671%0.70643%0.432SS*.  trans52.816.1-167.3-70.4-26.1000114.8D627D627-N631 VanDerWaalsContact O-CA 3.32Å; D627-N631 WeakPolarHBondContact O-CA 3.41Å; D627-N631 PolarHBondContact O-N 3.48Å
632Q76.6Confident74.7Confident138 Ų13888.8 Ų88.865%0.64545%0.449SS*.  trans-79.5136.4176.1-62.3-175.120.500110.7D627 S630 F634D627-Q632 PolarHBondContact N-O 3.22Å; S630-Q632 PolarHBondContact O-N 2.8Å; S630-Q632 VanDerWaalsContact O-N 3.1Å; S630-Q632 WeakPolarHBondContact OG-CB 3.44Å; S630-Q632 WeakPolarHBondContact OG-CG 3.33Å; S630-Q632 PolarHBondContact OG-N 2.77Å; Q632-F634 PolarHBondContact O-N 3.07Å
633M77.8Confident71.9Confident123 Ų12394.6 Ų94.661%0.60648%0.477SS*.EExtended strand (participates in β ladder)trans-77.6119.4173-173.9179.763.600110.2H624 C625 L626H624-M633 HydrophobicContact CB-SD 4.03Å; H624-M633 PolarHBondContact ND1-SD 3.1Å; H624-M633 VanDerWaalsContact ND1-SD 3.39Å; C625-M633 CarbonylContact O-C 3.38Å; C625-M633 VanDerWaalsContact O-CA 3.25Å; C625-M633 WeakPolarHBondContact O-CA 3.26Å; L626-M633 HydrophobicContact CD2-CB 4.22Å
634F85.6Confident69Low45 Ų4598.2 Ų98.220%0.19751%0.508CS..EExtended strand (participates in β ladder)trans-111.2163.917070-90.6000111P572 P580 C625 D627 Q632P572-F634 HydrophobicContact CG-CE2 4.14Å; P572-F634 HydrophobicContact CG-CZ 4.34Å; P580-F634 HydrophobicContact CB-CD2 4.1Å; P580-F634 HydrophobicContact CB-CE2 4.09Å; P580-F634 HydrophobicContact CG-CD2 3.63Å; P580-F634 HydrophobicContact CG-CE2 3.69Å; C625-F634 HydrophobicContact CB-CD1 4.08Å; C625-F634 HydrophobicContact CB-CD2 3.85Å; C625-F634 HydrophobicContact CB-CE1 3.71Å; C625-F634 HydrophobicContact CB-CE2 3.46Å; C625-F634 VanDerWaalsContact CB-CE2 3.46Å; C625-F634 HydrophobicContact CB-CG 4.15Å; C625-F634 HydrophobicContact CB-CZ 3.4Å; C625-F634 PolarHBondContact N-O 3.08Å; C625-F634 PolarHBondContact O-N 2.87Å; D627-F634 HydrophobicContact CB-CD1 3.9Å; D627-F634 HydrophobicContact CB-CE1 3.95Å; Q632-F634 PolarHBondContact O-N 3.07Å
635I85.8Confident66.1Low92 Ų92101 Ų10147%0.47253%0.526SS..EExtended strand (participates in β ladder)trans-108.8119.4-178.5-55.1-179.4000108.7P622P622-I635 HydrophobicContact CB-CG2 3.61Å; P622-I635 HydrophobicContact CG-CG2 4.24Å
636S89.2Confident63.2Low0 Ų0106.6 Ų106.60%056%0.562CS.*EExtended strand (participates in β ladder)trans-105165167.7-172.20000109.7G570 V581 S623 C625 G638G570-S636 WeakPolarHBondContact O-CB 3.2Å; G570-S636 PolarHBondContact O-OG 2.9Å; V581-S636 PolarHBondContact N-OG 3.13Å; V581-S636 CarbonylContact O-C 3.57Å; S623-S636 PolarHBondContact N-O 2.7Å; S623-S636 PolarHBondContact O-N 2.9Å; C625-S636 VanDerWaalsContact SG-CB 3.52Å; S636-G638 PolarHBondContact O-N 2.81Å
637N89Confident60.7Low0 Ų0109.5 Ų109.50%057%0.572CS.*SBendtrans46.730.8-166.4-68.8-67.3000113.4I546 L547 G570 V581 R583 S623I546-N637 HydrophobicContact CD1-CB 4.32Å; I546-N637 HydrophobicContact CG1-CB 3.71Å; I546-N637 VanDerWaalsContact CG1-CG 3.43Å; I546-N637 WeakPolarHBondContact CG1-ND2 3.37Å; L547-N637 PolarHBondContact N-OD1 2.79Å; L547-N637 PolarHBondContact O-ND2 2.77Å; G570-N637 WeakPolarHBondContact CA-ND2 3.37Å; G570-N637 PolarHBondContact O-ND2 2.81Å; V581-N637 WeakPolarHBondContact CB-OD1 3.49Å; V581-N637 VanDerWaalsContact CG1-OD1 3.31Å; V581-N637 WeakPolarHBondContact CG1-OD1 3.44Å; V581-N637 VanDerWaalsContact O-CA 3.26Å; V581-N637 WeakPolarHBondContact O-CA 3.43Å; V581-N637 PolarHBondContact O-N 2.71Å; R583-N637 VanDerWaalsContact CZ-O 3.22Å; R583-N637 PolarHBondContact NE-O 2.89Å; R583-N637 PolarHBondContact NH2-O 3.5Å; S623-N637 PolarHBondContact OG-ND2 2.87Å
638G80Confident58.5Low7 Ų7115.3 Ų115.37%0.07260%0.603CS.*EExtended strand (participates in β ladder)trans-104.9165.8-174.300000113.1V581 V582 R583 S636 K640V581-G638 PolarHBondContact O-N 2.84Å; V582-G638 WeakPolarHBondContact CA-O 3.37Å; R583-G638 PolarHBondContact N-O 3.46Å; S636-G638 PolarHBondContact O-N 2.81Å; G638-K640 PolarHBondContact O-N 3.47Å
639R71.3Confident57.1Low175 Ų175116.1 Ų116.166%0.6660%0.602SS**EExtended strand (participates in β ladder)trans-62.6132.5166.4-78.6-174.5176.4-179.1-0.4109.5N543 L585 K641N543-R639 PolarHBondContact OD1-NE 2.92Å; L585-R639 HydrophobicContact CD1-CG 4.44Å; R639-K641 PolarHBondContact O-N 3.31Å
640K57.7Low55.4Low153 Ų153115.9 Ų115.967%0.66560%0.601SS**  trans-53.9110.5176.7-177.2173.8-179.3173.70110.2V582 G638 R642V582-K640 HydrophobicContact CB-CB 4.34Å; G638-K640 PolarHBondContact O-N 3.47Å; K640-R642 PolarHBondContact O-N 2.88Å
641K49.5Very low53.4Low191 Ų191123.3 Ų123.383%0.8363%0.627SS**  trans-57.8126.9175.6-145.3176.6-173.1-177.70107.9R639R639-K641 PolarHBondContact O-N 3.31Å
642R37.5Very low51.6Low234 Ų234121.7 Ų121.788%0.88363%0.626SS**  trans-67.7135.1170.1-74.3-178.2177.4167.4-0.8107.7K640 A644K640-R642 PolarHBondContact O-N 2.88Å; R642-A644 PolarHBondContact O-N 2.75Å; R642-A644 VanDerWaalsContact O-N 3.09Å
643N28.7Very low49.3Very low172 Ų172119 Ų11992%0.9263%0.627SS**  trans-64.1112.4174.3-71.25.6000108.9
644A29.6Very low46.8Very low87 Ų87119.2 Ų119.272%0.71963%0.631SS**  trans-144.1150.8171.100000107.5R642R642-A644 PolarHBondContact O-N 2.75Å; R642-A644 VanDerWaalsContact O-N 3.09Å
645L27.5Very low44.1Very low171 Ų171124.8 Ų124.890%0.89566%0.658SS**  trans-74.2155.2-165.7-71.278.5000112.2
646P26.3Very low41.3Very low120 Ų120125.8 Ų125.878%0.77967%0.668SS**  trans-87.1137.4-178.934-32.8000112.2
647E30.3Very low38.4Very low190 Ų190133.4 Ų133.489%0.88870%0.704SS**  trans-159.1159.1155.9-124.4160.5-146.500114.1
648N26.1Very low35.4Very low159 Ų159144.4 Ų144.485%0.8575%0.745SS**  trans-80.2138.2-158.2-49.2-65.1000116
649A32.4Very low33.1Very low90 Ų90147.8 Ų147.874%0.74478%0.78SS**  trans-177111.8147.500000108.6
650S28.8Very low31.1Very low104 Ų104148.7 Ų148.773%0.72779%0.789SS**  73.3116.463.775.60000115.3
651F26.4Very low29.8Very low206 Ų206149.1 Ų149.190%0.90480%0.798SS**  trans39.3139.6140.9-78.6-110.3000119.7
652S27.5Very low28.9Very low98 Ų98143.5 Ų143.569%0.68580%0.795SS**  cis-178165.71147.20000113.8
653A27.4Very low28.5Very low82 Ų82140.7 Ų140.768%0.67880%0.797SS**  trans77.2129.1139.200000122.5
654N26.7Very low28.5Very low128 Ų128137.8 Ų137.868%0.68479%0.786SS**  trans74.7126137.7-67.234.3000123
655E28.3Very low28.6Very low161 Ų161142.8 Ų142.875%0.75280%0.797SS**  trans68.2144132.7-64.3170.3-139.900119.4
656T27.1Very low29.1Very low114 Ų114138.7 Ų138.770%0.69977%0.773SS**  cis-152.2158.8-4.3-1.30000111.3
657E28.3Very low29.7Very low159 Ų159141.9 Ų141.974%0.74378%0.777SS**  trans61136.9147.6-90.6-167.7-147.100124.1
658R26.7Very low30.7Very low232 Ų232137.9 Ų137.988%0.87576%0.76SS**  trans80.994.4132.9-165-178-157.5146.5-3.9120
659G31.7Very low32.3Very low78 Ų78135.3 Ų135.380%0.80474%0.744SS**  trans-157.9138.4155.600000110.7
660K28.1Very low34.5Very low194 Ų194136.6 Ų136.684%0.84374%0.735SS**  trans-99.1166.9167.9-70.9-176.1173.3-177.30110
661D31.6Very low37Very low161 Ų161134 Ų13486%0.86171%0.711SS**  trans109.5150.8151.6-56.6-22.7000116.3
662G30.5Very low39.8Very low74 Ų74132 Ų13276%0.76370%0.702SS**  trans102.980.9165.100000116.5
663N27.7Very low42.8Very low174 Ų174127.7 Ų127.793%0.9367%0.671SS**  trans-79.6112.5159.5-130.119.9000108.4
664V29.4Very low45.9Very low111 Ų111127.9 Ų127.967%0.67366%0.664SS**  trans-143.4120.5161.2-177.80000107.5E666V664-E666 HydrophobicContact CG1-CG 3.66Å
665M32.4Very low49.1Very low193 Ų193122.4 Ų122.495%0.95164%0.637SS**  trans-130.394.7168.2-167.1161.370.600106.2
666E37.7Very low52.2Low85 Ų85118.1 Ų118.140%0.39762%0.621SS.*  trans-71.4145.4-169.3-89.8156139.600112.7A615 G616 V664 M668A615-E666 HydrophobicContact CB-CB 4.18Å; A615-E666 HydrophobicContact CB-CG 4.31Å; G616-E666 VanDerWaalsContact CA-CD 3.43Å; G616-E666 WeakPolarHBondContact CA-OE1 3.41Å; G616-E666 WeakPolarHBondContact CA-OE2 3.33Å; G616-E666 PolarHBondContact N-OE1 3.1Å; V664-E666 HydrophobicContact CG1-CG 3.66Å; E666-M668 WeakPolarHBondContact O-CG 3.44Å
667E39.3Very low55.3Low186 Ų186112.7 Ų112.787%0.86959%0.588SS**  trans-62.9138.5177.5-65.4175.2123.800110.9
668M51Low58.3Low106 Ų106109 Ų10952%0.52257%0.567SS.*EExtended strand (participates in β ladder)trans-120.2127.6-176.1-48.4-175.585.200108.6M612 E666M612-M668 HydrophobicContact CE-CE 3.42Å; M612-M668 VanDerWaalsContact CE-CE 3.42Å; M612-M668 HydrophobicContact CE-SD 4.47Å; M612-M668 HydrophobicContact CG-CB 4.2Å; M612-M668 HydrophobicContact SD-CB 3.81Å; M612-M668 HydrophobicContact SD-CE 3.66Å; M612-M668 HydrophobicContact SD-SD 4.12Å; E666-M668 WeakPolarHBondContact O-CG 3.44Å
669M58.5Low61.2Low105 Ų10598 Ų9852%0.51753%0.526SS..EExtended strand (participates in β ladder)trans-113.1128.4-172.7177.7-176.9-73.900109.8V508 M612 F613V508-M669 HydrophobicContact CB-SD 4.38Å; M612-M669 CarbonylContact C-O 3.59Å; M612-M669 VanDerWaalsContact CA-O 3.31Å; M612-M669 WeakPolarHBondContact CA-O 3.27Å; F613-M669 HydrophobicContact CB-CB 4.44Å; F613-M669 HydrophobicContact CD2-CB 4.42Å; F613-M669 HydrophobicContact CD2-CG 4.3Å; F613-M669 HydrophobicContact CD2-SD 4.46Å; F613-M669 PolarHBondContact N-O 3.3Å; F613-M669 PolarHBondContact O-N 3Å
670E78.6Confident63.8Low118 Ų11895.6 Ų95.655%0.55149%0.493SS*.EExtended strand (participates in β ladder)trans-107.4139.6178.8-63.6-164173.300112.6L548 T610 V611 M612L548-E670 VanDerWaalsContact CD1-OE1 3.24Å; L548-E670 WeakPolarHBondContact CD1-OE1 3.19Å; T610-E670 HydrophobicContact CG2-CB 4.05Å; T610-E670 HydrophobicContact CG2-CG 4.27Å; T610-E670 WeakPolarHBondContact CG2-OE2 3.32Å; V611-E670 CarbonylContact O-C 3.58Å; V611-E670 WeakPolarHBondContact O-CA 3.47Å; M612-E670 HydrophobicContact CB-CG 4.04Å; M612-E670 HydrophobicContact CG-CG 4.11Å; M612-E670 HydrophobicContact SD-CG 4.43Å
671E81.1Confident66.4Low50 Ų5088.3 Ų88.323%0.23446%0.464CS..EExtended strand (participates in β ladder)trans-130.7138.6176.2-176.5-169.3-162.100110.2A510 T610 V611 F613 L673A510-E671 WeakPolarHBondContact CB-OE2 3.46Å; A510-E671 PolarHBondContact N-OE1 3Å; A510-E671 PolarHBondContact N-OE2 2.76Å; T610-E671 WeakPolarHBondContact CA-O 3.42Å; V611-E671 HydrophobicContact CG1-CB 3.9Å; V611-E671 PolarHBondContact N-O 2.87Å; V611-E671 PolarHBondContact O-N 2.73Å; F613-E671 HydrophobicContact CE2-CB 3.87Å; F613-E671 WeakPolarHBondContact CZ-OE2 3.31Å; E671-L673 VanDerWaalsContact CD-CD2 3.47Å; E671-L673 HydrophobicContact CG-CD2 3.86Å; E671-L673 WeakPolarHBondContact OE2-CD2 3.36Å
672K86.6Confident68.7Low162 Ų16288.3 Ų88.370%0.70446%0.459SS*.EExtended strand (participates in β ladder)trans-98.4106.8177-77.5178.2-178.9167.40111.5
673L90.7Very high70.9Confident8 Ų888.6 Ų88.64%0.04245%0.449CS..EExtended strand (participates in β ladder)trans-89.7146.7177.5-46.3-178.6000111.2A510 L512 A535 V608 C609 V611 E671A510-L673 HydrophobicContact CB-CD1 3.81Å; A510-L673 HydrophobicContact CB-CD2 3.92Å; A510-L673 HydrophobicContact CB-CG 4.48Å; A510-L673 WeakPolarHBondContact O-CD2 3.4Å; L512-L673 HydrophobicContact CB-CB 3.6Å; L512-L673 HydrophobicContact CB-CD1 4.21Å; L512-L673 HydrophobicContact CD2-CB 4.43Å; L512-L673 HydrophobicContact CG-CB 4.5Å; A535-L673 HydrophobicContact CB-CD1 3.95Å; V608-L673 CarbonylContact C-O 3.59Å; V608-L673 WeakPolarHBondContact CA-O 3.47Å; C609-L673 PolarHBondContact N-O 3.48Å; C609-L673 PolarHBondContact O-N 3.21Å; V611-L673 HydrophobicContact CB-CD1 4.14Å; V611-L673 HydrophobicContact CG1-CD1 3.86Å; V611-L673 HydrophobicContact CG1-CD2 4.28Å; V611-L673 HydrophobicContact CG1-CG 3.95Å; E671-L673 VanDerWaalsContact CD-CD2 3.47Å; E671-L673 HydrophobicContact CG-CD2 3.86Å; E671-L673 WeakPolarHBondContact OE2-CD2 3.36Å
674T92.5Very high73.4Confident87 Ų8782 Ų8253%0.53441%0.413SS..EExtended strand (participates in β ladder)trans-134.7137.8-179.5177.80000111.5M607M607-T674 WeakPolarHBondContact O-CA 3.01Å
675A93.1Very high75.7Confident13 Ų1380.6 Ų80.611%0.10740%0.398CS..EExtended strand (participates in β ladder)trans-142.3145.2174.800000110.2L512 F514 R606 M607L512-A675 HydrophobicContact CB-CB 4.17Å; L512-A675 HydrophobicContact CD2-CB 3.93Å; L512-A675 HydrophobicContact CG-CB 4Å; F514-A675 HydrophobicContact CD2-CB 4.09Å; F514-A675 HydrophobicContact CE2-CB 3.53Å; F514-A675 HydrophobicContact CZ-CB 4.25Å; R606-A675 CarbonylContact C-O 3.48Å; R606-A675 WeakPolarHBondContact CA-O 3.29Å; M607-A675 PolarHBondContact N-O 3.45Å; M607-A675 PolarHBondContact O-N 2.77Å
676V92.5Very high77.8Confident70 Ų7073.4 Ų73.442%0.42437%0.37SS..EExtended strand (participates in β ladder)trans-114.5138.7176.1-178.90000109.8V555 D604 I605 R606V555-V676 HydrophobicContact CG2-CG1 4.43Å; D604-V676 HydrophobicContact CB-CG1 4.25Å; I605-V676 CarbonylContact O-C 3.59Å; I605-V676 VanDerWaalsContact O-CA 3.32Å; I605-V676 WeakPolarHBondContact O-CA 2.94Å; R606-V676 HydrophobicContact CB-CG2 4.2Å; R606-V676 HydrophobicContact CG-CG2 4.19Å
677L92.6Very high79.6Confident0 Ų074.6 Ų74.60%038%0.375CS..EExtended strand (participates in β ladder)trans-132.2126.9177.6179.972.3000109.5F514 V522 T525 I531 A596 I605 V679F514-L677 HydrophobicContact CB-CD1 4.42Å; F514-L677 HydrophobicContact CD1-CD2 4.26Å; F514-L677 HydrophobicContact CD2-CB 3.85Å; F514-L677 HydrophobicContact CD2-CD1 4.26Å; F514-L677 HydrophobicContact CD2-CG 4.49Å; F514-L677 HydrophobicContact CE1-CB 4.48Å; F514-L677 HydrophobicContact CE1-CD2 4.24Å; F514-L677 HydrophobicContact CE2-CB 3.58Å; F514-L677 HydrophobicContact CG-CB 4.42Å; F514-L677 HydrophobicContact CG-CD1 4.28Å; F514-L677 HydrophobicContact CG-CD2 4.46Å; F514-L677 HydrophobicContact CZ-CB 3.91Å; F514-L677 HydrophobicContact CZ-CD2 4.46Å; V522-L677 HydrophobicContact CG1-CD1 3.84Å; T525-L677 HydrophobicContact CG2-CD1 3.89Å; T525-L677 HydrophobicContact CG2-CD2 3.94Å; T525-L677 HydrophobicContact CG2-CG 4.07Å; I531-L677 HydrophobicContact CD1-CD1 4.46Å; I531-L677 HydrophobicContact CD1-CD2 3.47Å; I531-L677 VanDerWaalsContact CD1-CD2 3.47Å; A596-L677 HydrophobicContact CB-CD2 4.43Å; I605-L677 HydrophobicContact CD1-CD2 4.43Å; I605-L677 HydrophobicContact CG1-CB 4.08Å; I605-L677 WeakPolarHBondContact CG1-O 3.03Å; I605-L677 PolarHBondContact N-O 3.31Å; I605-L677 PolarHBondContact O-N 2.83Å; L677-V679 HydrophobicContact CD2-CG2 3.77Å; L677-V679 HydrophobicContact CG-CG2 3.82Å
678R91.7Very high81.1Confident82 Ų8268 Ų6831%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-85.2132.7169.1-174162.3-65.9154.3-6.8110.5T523 E524 T525 Y603 D604 Y680T523-R678 PolarHBondContact O-N 3.08Å; E524-R678 CarbonylContact C-O 3.31Å; E524-R678 WeakPolarHBondContact CA-O 3.45Å; E524-R678 HydrophobicContact CB-CB 4.18Å; E524-R678 HydrophobicContact CG-CB 3.95Å; E524-R678 WeakPolarHBondContact OE1-CD 3.27Å; E524-R678 IonicContact OE1-CZ 3.7Å; E524-R678 IonicContact OE1-NE 3.75Å; E524-R678 IonicContact OE1-NH1 2.73Å; E524-R678 PolarHBondContact OE1-NH1 2.93Å; T525-R678 PolarHBondContact N-O 3.03Å; Y603-R678 WeakPolarHBondContact O-CA 3.36Å; D604-R678 WeakPolarHBondContact OD1-CA 3.47Å; D604-R678 WeakPolarHBondContact OD1-CB 3.3Å; D604-R678 VanDerWaalsContact OD1-CG 3.23Å; D604-R678 WeakPolarHBondContact OD1-CG 3.05Å; D604-R678 IonicContact OD1-CZ 3.04Å; D604-R678 IonicContact OD1-NE 2.75Å; D604-R678 PolarHBondContact OD1-NE 3.47Å; D604-R678 IonicContact OD1-NH2 2.82Å; D604-R678 PolarHBondContact OD1-NH2 3.4Å; D604-R678 IonicContact OD2-CZ 2.78Å; D604-R678 IonicContact OD2-NE 2.63Å; D604-R678 IonicContact OD2-NH2 3.93Å; D604-R678 PolarHBondContact OD2-NH2 2.95Å; R678-Y680 VanDerWaalsContact CD-CZ 3.41Å; R678-Y680 WeakPolarHBondContact CD-OH 3.31Å; R678-Y680 HydrophobicContact CG-CD2 4.2Å; R678-Y680 HydrophobicContact CG-CE2 3.73Å
679V88.4Confident82.2Confident0 Ų066.5 Ų66.50%034%0.339CS..EExtended strand (participates in β ladder)trans-130.2112.2-176-167.70000110.9T525 I527 A596 F597 R598 Y603 I605 L677T525-V679 HydrophobicContact CG2-CG1 4.39Å; T525-V679 HydrophobicContact CG2-CG2 4.1Å; T525-V679 WeakPolarHBondContact O-CA 3.14Å; I527-V679 HydrophobicContact CB-CG1 4.31Å; I527-V679 HydrophobicContact CG1-CG1 3.54Å; A596-V679 HydrophobicContact CB-CG1 4.07Å; A596-V679 HydrophobicContact CB-CG2 4.41Å; F597-V679 WeakPolarHBondContact O-CG2 3.15Å; R598-V679 HydrophobicContact CB-CB 4.43Å; Y603-V679 PolarHBondContact O-N 3.1Å; I605-V679 HydrophobicContact CG1-CG2 4.37Å; L677-V679 HydrophobicContact CD2-CG2 3.77Å; L677-V679 HydrophobicContact CG-CG2 3.82Å
680Y86.2Confident82.9Confident28 Ų2869.2 Ų69.211%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-99.8157.5178.7-64.8-77.6000112.1E524 T525 C526 I527 Y603 R678 E684 K685 V688E524-Y680 HydrophobicContact CB-CE2 4.38Å; T525-Y680 PolarHBondContact O-N 3.22Å; C526-Y680 CarbonylContact C-O 3.54Å; C526-Y680 WeakPolarHBondContact CA-O 3.38Å; I527-Y680 PolarHBondContact N-O 3.18Å; Y603-Y680 AromaticContact CD1-CD1 3.8Å; Y603-Y680 HydrophobicContact CD1-CD1 3.8Å; Y603-Y680 HydrophobicContact CD1-CE1 4.04Å; Y603-Y680 AromaticContact CE1-CD1 3.98Å; Y603-Y680 HydrophobicContact CE1-CD1 3.98Å; Y603-Y680 HydrophobicContact CE1-CE1 4.27Å; R678-Y680 VanDerWaalsContact CD-CZ 3.41Å; R678-Y680 WeakPolarHBondContact CD-OH 3.31Å; R678-Y680 HydrophobicContact CG-CD2 4.2Å; R678-Y680 HydrophobicContact CG-CE2 3.73Å; Y680-E684 HydrophobicContact CD1-CB 4.03Å; Y680-K685 HydrophobicContact CG-CB 4.5Å; Y680-V688 HydrophobicContact CE1-CG2 4.02Å
681T82.1Confident82.6Confident41 Ų4169.6 Ų69.625%0.25235%0.345SS..  trans-72.1160.5152.860.90000110.4I527 S683 E684 K685I527-T681 HydrophobicContact CD1-CG2 4.05Å; T681-S683 WeakPolarHBondContact CB-OG 3.33Å; T681-S683 PolarHBondContact O-N 3.08Å; T681-S683 PolarHBondContact OG1-OG 2.9Å; T681-E684 VanDerWaalsContact CB-OE2 3.3Å; T681-E684 WeakPolarHBondContact CB-OE2 3.43Å; T681-E684 WeakPolarHBondContact CG2-OE2 3.34Å; T681-E684 PolarHBondContact N-OE2 2.02Å; T681-E684 PolarHBondContact O-N 3.48Å; T681-E684 WeakPolarHBondContact OG1-CB 3.18Å; T681-E684 WeakPolarHBondContact OG1-CG 3.33Å; T681-E684 PolarHBondContact OG1-N 3.25Å; T681-E684 VanDerWaalsContact OG1-N 3.13Å; T681-E684 PolarHBondContact OG1-OE2 3.05Å; T681-K685 PolarHBondContact O-N 2.85Å; T681-K685 VanDerWaalsContact O-N 3.07Å
682E79Confident81.7Confident161 Ų16173 Ų7375%0.75236%0.361SS*.Hα-helixtrans-59.2-36.5173.9-60.6-174.215200111.8A686E682-A686 VanDerWaalsContact O-CB 3.29Å; E682-A686 WeakPolarHBondContact O-CB 3.23Å; E682-A686 PolarHBondContact O-N 2.88Å
683S77.4Confident80.5Confident80 Ų8071.2 Ų71.256%0.55935%0.353SS*.Hα-helixtrans-63.4-46.3175.734.80000113.6T681 A686 Q687T681-S683 WeakPolarHBondContact CB-OG 3.33Å; T681-S683 PolarHBondContact O-N 3.08Å; T681-S683 PolarHBondContact OG1-OG 2.9Å; S683-A686 PolarHBondContact O-N 3.22Å; S683-Q687 PolarHBondContact O-N 3.4Å
684E81Confident79Confident35 Ų3577.5 Ų77.516%0.16438%0.381CS..Hα-helixtrans-67.3-43.6178.9-70.9157142.400110.6R598 Y603 Y680 T681 A686 Q687 V688R598-E684 IonicContact CZ-OE1 3.79Å; R598-E684 VanDerWaalsContact NH1-CD 3.29Å; R598-E684 IonicContact NH1-OE1 2.72Å; R598-E684 PolarHBondContact NH1-OE1 3.18Å; R598-E684 IonicContact NH1-OE2 3.55Å; R598-E684 PolarHBondContact NH1-OE2 3.48Å; R598-E684 IonicContact NH2-OE1 2.97Å; Y603-E684 HydrophobicContact CE1-CG 4.38Å; Y603-E684 VanDerWaalsContact CE1-OE1 3.28Å; Y603-E684 WeakPolarHBondContact CE1-OE1 3.25Å; Y603-E684 PolarHBondContact OH-OE1 3Å; Y680-E684 HydrophobicContact CD1-CB 4.03Å; T681-E684 VanDerWaalsContact CB-OE2 3.3Å; T681-E684 WeakPolarHBondContact CB-OE2 3.43Å; T681-E684 WeakPolarHBondContact CG2-OE2 3.34Å; T681-E684 PolarHBondContact N-OE2 2.02Å; T681-E684 PolarHBondContact O-N 3.48Å; T681-E684 WeakPolarHBondContact OG1-CB 3.18Å; T681-E684 WeakPolarHBondContact OG1-CG 3.33Å; T681-E684 PolarHBondContact OG1-N 3.25Å; T681-E684 VanDerWaalsContact OG1-N 3.13Å; T681-E684 PolarHBondContact OG1-OE2 3.05Å; E684-A686 VanDerWaalsContact C-N 3.3Å; E684-A686 PolarHBondContact O-N 2.76Å; E684-Q687 WeakPolarHBondContact O-CA 3.47Å; E684-Q687 WeakPolarHBondContact O-CB 3.46Å; E684-Q687 PolarHBondContact O-N 2.93Å; E684-V688 PolarHBondContact O-N 2.79Å
685K76.6Confident77Confident82 Ų8279.5 Ų79.536%0.35739%0.388SS..Hα-helixtrans-60.8-41176-175.8172.9178.51770111.9Y680 T681 Q687 V688 E689Y680-K685 HydrophobicContact CG-CB 4.5Å; T681-K685 PolarHBondContact O-N 2.85Å; T681-K685 VanDerWaalsContact O-N 3.07Å; K685-Q687 PolarHBondContact O-N 2.99Å; K685-V688 PolarHBondContact O-N 3.13Å; K685-E689 VanDerWaalsContact CE-OE1 3.31Å; K685-E689 WeakPolarHBondContact CE-OE1 3.43Å; K685-E689 PolarHBondContact O-N 2.88Å
686A77Confident75Confident43 Ų4384.4 Ų84.436%0.35542%0.417SS..Hα-helixtrans-67.9-10.5174.300000113.8E682 S683 E684 R690E682-A686 VanDerWaalsContact O-CB 3.29Å; E682-A686 WeakPolarHBondContact O-CB 3.23Å; E682-A686 PolarHBondContact O-N 2.88Å; S683-A686 PolarHBondContact O-N 3.22Å; E684-A686 VanDerWaalsContact C-N 3.3Å; E684-A686 PolarHBondContact O-N 2.76Å; A686-R690 VanDerWaalsContact O-CZ 3.29Å; A686-R690 PolarHBondContact O-NE 2.69Å; A686-R690 PolarHBondContact O-NH2 3.27Å
687Q75.9Confident72.7Confident109 Ų10985.1 Ų85.151%0.50943%0.425SS..Hα-helixtrans-87.3-49.7167.2-69.3170.2-57.700110.7S683 E684 K685 E689 R690 E691S683-Q687 PolarHBondContact O-N 3.4Å; E684-Q687 WeakPolarHBondContact O-CA 3.47Å; E684-Q687 WeakPolarHBondContact O-CB 3.46Å; E684-Q687 PolarHBondContact O-N 2.93Å; K685-Q687 PolarHBondContact O-N 2.99Å; Q687-E689 VanDerWaalsContact C-N 3.33Å; Q687-E689 PolarHBondContact O-N 3.44Å; Q687-R690 WeakPolarHBondContact O-CA 3.39Å; Q687-R690 WeakPolarHBondContact O-CB 3.45Å; Q687-R690 PolarHBondContact O-N 2.93Å; Q687-E691 PolarHBondContact O-N 2.88Å; Q687-E691 VanDerWaalsContact O-N 3.11Å
688V71.4Confident70.3Confident47 Ų4791 Ų9129%0.28546%0.455SS..Hα-helixtrans-52.7-49.7176.9177.30000111.2Y680 E684 K685 R690 E691 E692Y680-V688 HydrophobicContact CE1-CG2 4.02Å; E684-V688 PolarHBondContact O-N 2.79Å; K685-V688 PolarHBondContact O-N 3.13Å; V688-R690 PolarHBondContact O-N 3.27Å; V688-R690 VanDerWaalsContact O-N 3.15Å; V688-E691 PolarHBondContact O-N 3.2Å; V688-E692 HydrophobicContact CG1-CG 4.43Å; V688-E692 PolarHBondContact O-N 3.11Å
689E73.6Confident67.3Low76 Ų7694.6 Ų94.636%0.35548%0.479SS..Hα-helixtrans-62.1-23.8177.7-76.5-167-147.400114.1K685 Q687 K693K685-E689 VanDerWaalsContact CE-OE1 3.31Å; K685-E689 WeakPolarHBondContact CE-OE1 3.43Å; K685-E689 PolarHBondContact O-N 2.88Å; Q687-E689 VanDerWaalsContact C-N 3.33Å; Q687-E689 PolarHBondContact O-N 3.44Å; E689-K693 WeakPolarHBondContact O-CB 3.44Å; E689-K693 WeakPolarHBondContact O-CD 3.19Å; E689-K693 WeakPolarHBondContact O-CG 3.41Å; E689-K693 PolarHBondContact O-N 2.76Å; E689-K693 IonicContact OE2-NZ 2.79Å; E689-K693 PolarHBondContact OE2-NZ 2.85Å
690R73.6Confident64.6Low161 Ų161100 Ų10061%0.60852%0.515SS*.Hα-helixtrans-81.7-26.8175-91.9-179.2-74.4-178.8-4.3112.2A686 Q687 V688 K694A686-R690 VanDerWaalsContact O-CZ 3.29Å; A686-R690 PolarHBondContact O-NE 2.69Å; A686-R690 PolarHBondContact O-NH2 3.27Å; Q687-R690 WeakPolarHBondContact O-CA 3.39Å; Q687-R690 WeakPolarHBondContact O-CB 3.45Å; Q687-R690 PolarHBondContact O-N 2.93Å; V688-R690 PolarHBondContact O-N 3.27Å; V688-R690 VanDerWaalsContact O-N 3.15Å; R690-K694 WeakPolarHBondContact O-CG 3.21Å; R690-K694 PolarHBondContact O-N 2.7Å
691E70.7Confident62.2Low126 Ų126109.8 Ų109.859%0.58955%0.553SS**Hα-helixtrans-82.3-41.4176.9-66.7-177.9167.700111.1Q687 V688 K693 K694 N695Q687-E691 PolarHBondContact O-N 2.88Å; Q687-E691 VanDerWaalsContact O-N 3.11Å; V688-E691 PolarHBondContact O-N 3.2Å; E691-K693 VanDerWaalsContact C-N 3.33Å; E691-K693 PolarHBondContact O-N 3.01Å; E691-K694 WeakPolarHBondContact O-CB 3.21Å; E691-K694 PolarHBondContact O-N 2.83Å; E691-K694 VanDerWaalsContact O-N 3.13Å; E691-N695 PolarHBondContact O-N 3.29Å
692E64Low59.9Low122 Ų122111.3 Ų111.357%0.5758%0.577SS**Hα-helixtrans-59.6-41.5170.2-69.8-165.4135.100112.4V688 K694 N695 T696V688-E692 HydrophobicContact CG1-CG 4.43Å; V688-E692 PolarHBondContact O-N 3.11Å; E692-K694 VanDerWaalsContact C-N 3.3Å; E692-K694 PolarHBondContact O-N 2.74Å; E692-N695 PolarHBondContact O-N 2.76Å; E692-T696 PolarHBondContact O-N 2.77Å; E692-T696 PolarHBondContact O-OG1 3.34Å
693K60.6Low57.9Low124 Ų124112.9 Ų112.954%0.53958%0.581SS.*Hα-helixtrans-68.6-25.8176.4-73.9168-166.9146.50112.9E689 E691 T696 S697E689-K693 WeakPolarHBondContact O-CB 3.44Å; E689-K693 WeakPolarHBondContact O-CD 3.19Å; E689-K693 WeakPolarHBondContact O-CG 3.41Å; E689-K693 PolarHBondContact O-N 2.76Å; E689-K693 IonicContact OE2-NZ 2.79Å; E689-K693 PolarHBondContact OE2-NZ 2.85Å; E691-K693 VanDerWaalsContact C-N 3.33Å; E691-K693 PolarHBondContact O-N 3.01Å; K693-T696 WeakPolarHBondContact CA-OG1 3.42Å; K693-S697 WeakPolarHBondContact O-CB 3.31Å; K693-S697 PolarHBondContact O-N 3.42Å; K693-S697 PolarHBondContact O-OG 2.72Å
694K58.2Low55.9Low141 Ų141116.8 Ų116.861%0.61359%0.594SS**Hα-helixtrans-68-52.2166.7-77.9174.2176178.60110.4R690 E691 E692 T696 S697R690-K694 WeakPolarHBondContact O-CG 3.21Å; R690-K694 PolarHBondContact O-N 2.7Å; E691-K694 WeakPolarHBondContact O-CB 3.21Å; E691-K694 PolarHBondContact O-N 2.83Å; E691-K694 VanDerWaalsContact O-N 3.13Å; E692-K694 VanDerWaalsContact C-N 3.3Å; E692-K694 PolarHBondContact O-N 2.74Å; K694-T696 PolarHBondContact O-N 2.98Å; K694-S697 PolarHBondContact O-N 2.87Å; K694-S697 VanDerWaalsContact O-N 3.15Å; K694-S697 PolarHBondContact O-OG 3.36Å
695N52.3Low53.7Low129 Ų129122.4 Ų122.469%0.6962%0.623SS**Hα-helixtrans-66.1-33.6-176.5-71.6-9.6000113.8E691 E692 S697E691-N695 PolarHBondContact O-N 3.29Å; E692-N695 PolarHBondContact O-N 2.76Å; N695-S697 VanDerWaalsContact C-N 3.32Å
696T51.2Low51.5Low116 Ų116122.7 Ų122.771%0.71264%0.642SS**THydrogen-bonded Turntrans-79.5-10.2175.747.40000114.2E692 K693 K694 I698E692-T696 PolarHBondContact O-N 2.77Å; E692-T696 PolarHBondContact O-OG1 3.34Å; K693-T696 WeakPolarHBondContact CA-OG1 3.42Å; K694-T696 PolarHBondContact O-N 2.98Å; T696-I698 VanDerWaalsContact C-N 3.29Å; T696-I698 PolarHBondContact O-N 2.99Å
697S43.9Very low49.3Very low85 Ų85131.1 Ų131.159%0.59467%0.666SS**THydrogen-bonded Turntrans-81.3-3.417571.20000114.3K693 K694 N695K693-S697 WeakPolarHBondContact O-CB 3.31Å; K693-S697 PolarHBondContact O-N 3.42Å; K693-S697 PolarHBondContact O-OG 2.72Å; K694-S697 PolarHBondContact O-N 2.87Å; K694-S697 VanDerWaalsContact O-N 3.15Å; K694-S697 PolarHBondContact O-OG 3.36Å; N695-S697 VanDerWaalsContact C-N 3.32Å
698I41.5Very low47.1Very low123 Ų123135.1 Ų135.163%0.63168%0.682SS**SBendtrans-120.566.2-174-46.9175.6000111.4T696T696-I698 VanDerWaalsContact C-N 3.29Å; T696-I698 PolarHBondContact O-N 2.99Å
699L29.7Very low45.2Very low157 Ų157136.9 Ų136.982%0.82270%0.701SS**  trans180113.4137-118.9105.5000111.8
700P30.9Very low43.3Very low114 Ų114139.2 Ų139.274%0.7472%0.72SS**  trans-140.280.9153.336.2-20000113.2
701Y35.2Very low41.3Very low233 Ų233140.5 Ų140.591%0.91473%0.73SS**  trans-149.8103.6164.5-96.3-75.6000111.3
702G35.1Very low39.4Very low73 Ų73138.7 Ų138.775%0.75373%0.732SS**  trans152.288.2170.900000116.9
703K36.2Very low37.9Very low195 Ų195139.6 Ų139.685%0.84874%0.737SS**  trans8.2121.4143.1-58.9172.2-179.31770116.1
704I35.5Very low36.6Very low161 Ų161143 Ų14383%0.82675%0.747SS**  55.8136.561.3-45.4174.8000112.7
705I35.3Very low35.3Very low153 Ų153145.5 Ų145.579%0.78575%0.752SS**  trans8483.8178.7-44.7-171.9000115.8
706A30.4Very low34.4Very low89 Ų89147.2 Ų147.274%0.73675%0.754SS**  55.1152.4123.100000123.1F708A706-F708 PolarHBondContact O-N 2.91Å; A706-F708 VanDerWaalsContact O-N 3.14Å
707Y29.9Very low33.4Very low220 Ų220146.1 Ų146.186%0.86375%0.748SS**  trans-30.2111.8144.9-92.4-121.4000112.5
708F31Very low32.8Very low193 Ų193151.2 Ų151.285%0.84676%0.759SS**  -173.3125.5109.6-108.1-77.1000111.8A706A706-F708 PolarHBondContact O-N 2.91Å; A706-F708 VanDerWaalsContact O-N 3.14Å
709A30.3Very low32.3Very low84 Ų84151.5 Ų151.569%0.69477%0.766SS**  trans68138.3144.100000122.7
710V33.4Very low32.6Very low125 Ų125148.8 Ų148.876%0.75876%0.761SS**  trans84.198.8135.1167.60000120.2
711K31.5Very low32.6Very low188 Ų188149.3 Ų149.382%0.81776%0.762SS**  64.5112.9125.6-72.9-176.4172.9175.30121.6
712S32Very low32.6Very low88 Ų88143.6 Ų143.662%0.61576%0.756SS**  95.5126.999.8-173.30000121.6
713M33Very low32.4Very low140 Ų140147 Ų14769%0.6976%0.756SS**  trans85.5131.6140.6-93.7-173.5-136.700121.9
714R31.8Very low32Very low197 Ų197146.8 Ų146.874%0.74376%0.756SS**  trans77.4139.4147-64.8165.2-170.7-153.22.4116.1
715R31.8Very low31.8Very low192 Ų192146.5 Ų146.573%0.72576%0.755SS**  cis-170.5151.2-5.9-124.9-178.7177.5-176.2-1.7111.1
716F32.2Very low31.6Very low165 Ų165148.5 Ų148.572%0.72476%0.758SS**  trans63.3152165-76.1-113.4000117.2
717T30.8Very low31.7Very low94 Ų94150.9 Ų150.958%0.57776%0.763SS**  cis-175.4161.6-37.833.60000109.1
718F31.9Very low31.8Very low191 Ų191146 Ų14684%0.83876%0.755SS**  trans70.7150.7172.3-64.8-88000116.9
719V31.3Very low31.9Very low129 Ų129141.4 Ų141.478%0.78275%0.753SS**  cis-172.3159.7-43.61250000108.2
720S35.1Very low32.4Very low101 Ų101145 Ų14571%0.70676%0.755SS**  trans107.2111.8-176.2-152.10000110.2
721V32Very low32.5Very low125 Ų125144.4 Ų144.476%0.75876%0.756SS**  cis66.6119.448-170.60000109.5
722S35Very low32.8Very low113 Ų113141.1 Ų141.179%0.7976%0.755SS**  cis-149.5156.49.735.10000112.4
723D30.4Very low33.2Very low143 Ų143146.3 Ų146.377%0.76577%0.769SS**  trans-138.2148.2176.3-120.9-28000111.3
724F28.5Very low33.6Very low192 Ų192147.5 Ų147.584%0.84278%0.778SS**  trans37.8101.1166.2-73-92.9000121.6
725I31.3Very low34Very low155 Ų155146.3 Ų146.380%0.79578%0.783SS**  trans-137.1103.4153.2-67.3-178.8000106.7
726K29.5Very low34.3Very low195 Ų195144.6 Ų144.685%0.84879%0.785SS**  4294.987.5-88.5-163.6174.1-170.90114.9
727V32.8Very low34.7Very low139 Ų139143.1 Ų143.184%0.84279%0.794SS**  trans-107.5114.2162179.80000109
728V32.3Very low35.3Very low117 Ų117142.6 Ų142.671%0.70979%0.787SS**  trans-109.9137.1161.9173.70000106
729A34.3Very low36.4Very low97 Ų97136.5 Ų136.580%0.80277%0.772SS**  trans-111.4112.3176.200000109.5
730H39.2Very low37.6Very low160 Ų160138.2 Ų138.274%0.74177%0.771SS**  trans-86.5144.3165.3-84-75.1000110
731S35.9Very low39Very low111 Ų111137.8 Ų137.878%0.77677%0.768SS**  trans-78.7160.6155.2500000110.4
732P37.4Very low40.4Very low120 Ų120134 Ų13478%0.77975%0.75SS**  trans-126.295.4-150.137.1-19.6000115.2
733E40.7Very low41.9Very low196 Ų196134.3 Ų134.392%0.91674%0.737SS**  trans-141.584.4159.5-72.4-159.6153.300111.6
734D41.9Very low44.1Very low166 Ų166132.2 Ų132.289%0.88873%0.725SS**  trans-163.8153134.2-137.5-24.5000113.7
735M39.1Very low46.4Very low172 Ų172125.9 Ų125.985%0.84771%0.708SS**  trans-101.596.2-175.4-89.2-171.9-81.400114.1C737M735-C737 PolarHBondContact O-N 3.45Å; M735-C737 VanDerWaalsContact O-N 3.16Å
736M39.3Very low48.6Very low156 Ų156122.4 Ų122.477%0.76869%0.694SS**  trans33.266.6144.2-63.2-17865.300118.6I738M736-I738 VanDerWaalsContact C-N 3.31Å; M736-I738 HydrophobicContact CE-CD1 3.66Å; M736-I738 HydrophobicContact CE-CG1 4.16Å; M736-I738 PolarHBondContact O-N 2.68Å
737C39.8Very low51Low134 Ų134115.5 Ų115.591%0.90567%0.668SS**  trans-75.282.3154.5-720000110.7M735 A739M735-C737 PolarHBondContact O-N 3.45Å; M735-C737 VanDerWaalsContact O-N 3.16Å; C737-A739 PolarHBondContact O-N 3.4Å
738I44Very low53.5Low82 Ų82112.6 Ų112.642%0.42165%0.65SS.*  trans-69.3118.6170.8-61.2-176.3000109.1M736 A742 F743M736-I738 VanDerWaalsContact C-N 3.31Å; M736-I738 HydrophobicContact CE-CD1 3.66Å; M736-I738 HydrophobicContact CE-CG1 4.16Å; M736-I738 PolarHBondContact O-N 2.68Å; I738-A742 HydrophobicContact CG2-CB 3.8Å; I738-F743 HydrophobicContact CG2-CB 3.8Å
739A55.6Low56Low64 Ų64109.6 Ų109.653%0.52964%0.635SS.*  trans-58139.1171.800000111.3C737 S741 A742 F743C737-A739 PolarHBondContact O-N 3.4Å; A739-S741 PolarHBondContact O-N 3.23Å; A739-A742 WeakPolarHBondContact O-CA 3.15Å; A739-A742 WeakPolarHBondContact O-CB 3.45Å; A739-A742 PolarHBondContact O-N 3.08Å; A739-F743 PolarHBondContact O-N 3.39Å; A739-F743 VanDerWaalsContact O-N 3.1Å
740E55.5Low58.5Low165 Ų165108.6 Ų108.677%0.77162%0.619SS**Hα-helixtrans-52-38.2-170.9-63.2-175.6122.200113.6A742 F743 I744E740-A742 VanDerWaalsContact C-N 3.34Å; E740-A742 PolarHBondContact O-N 2.82Å; E740-F743 PolarHBondContact O-N 2.64Å; E740-I744 WeakPolarHBondContact O-CB 3.31Å; E740-I744 WeakPolarHBondContact O-CD1 3.34Å; E740-I744 WeakPolarHBondContact O-CG1 3.44Å; E740-I744 PolarHBondContact O-N 2.83Å
741S64.6Low60.8Low91 Ų91104.1 Ų104.164%0.63661%0.605SS**Hα-helixtrans-61-37.6176.654.50000113.5A739 A745A739-S741 PolarHBondContact O-N 3.23Å; S741-A745 WeakPolarHBondContact O-CB 3.41Å; S741-A745 PolarHBondContact O-N 3.44Å
742A61.3Low63.3Low45 Ų45103.3 Ų103.337%0.37259%0.592SS.*Hα-helixtrans-76.4-37.1175.700000111.6I738 A739 E740 A745 V746I738-A742 HydrophobicContact CG2-CB 3.8Å; A739-A742 WeakPolarHBondContact O-CA 3.15Å; A739-A742 WeakPolarHBondContact O-CB 3.45Å; A739-A742 PolarHBondContact O-N 3.08Å; E740-A742 VanDerWaalsContact C-N 3.34Å; E740-A742 PolarHBondContact O-N 2.82Å; A742-A745 PolarHBondContact O-N 2.87Å; A742-V746 WeakPolarHBondContact O-CG2 3.41Å; A742-V746 PolarHBondContact O-N 3.2Å
743F67.7Low65.8Low120 Ų120102.1 Ų102.153%0.52658%0.578SS.*Hα-helixtrans-64.2-42.2173.9-173.1-100.1000111.4I738 A739 E740 V746 T747I738-F743 HydrophobicContact CG2-CB 3.8Å; A739-F743 PolarHBondContact O-N 3.39Å; A739-F743 VanDerWaalsContact O-N 3.1Å; E740-F743 PolarHBondContact O-N 2.64Å; F743-V746 PolarHBondContact O-N 3.25Å; F743-T747 HydrophobicContact CD1-CG2 4.1Å; F743-T747 HydrophobicContact CE1-CG2 3.69Å; F743-T747 HydrophobicContact CE2-CG2 4.15Å; F743-T747 HydrophobicContact CG-CG2 4.5Å; F743-T747 HydrophobicContact CZ-CG2 3.72Å; F743-T747 WeakPolarHBondContact O-CB 3.49Å; F743-T747 WeakPolarHBondContact O-CG2 3.29Å; F743-T747 PolarHBondContact O-N 3.08Å; F743-T747 PolarHBondContact O-OG1 3.23Å
744I76.5Confident68Low100 Ų10096.5 Ų96.551%0.51356%0.559SS.*Hα-helixtrans-63.2-44.8173.5-68.6164.4000110.4E740 V746 T747 V748E740-I744 WeakPolarHBondContact O-CB 3.31Å; E740-I744 WeakPolarHBondContact O-CD1 3.34Å; E740-I744 WeakPolarHBondContact O-CG1 3.44Å; E740-I744 PolarHBondContact O-N 2.83Å; I744-V746 PolarHBondContact O-N 2.95Å; I744-T747 WeakPolarHBondContact CA-OG1 3.39Å; I744-T747 PolarHBondContact O-N 3.42Å; I744-T747 PolarHBondContact O-OG1 3.15Å; I744-V748 HydrophobicContact CG2-CG2 4.11Å; I744-V748 WeakPolarHBondContact O-CB 3.37Å; I744-V748 WeakPolarHBondContact O-CG2 3.29Å; I744-V748 PolarHBondContact O-N 3.06Å
745A76.5Confident70.3Confident58 Ų5894 Ų9448%0.47955%0.545SS..Hα-helixtrans-61.3-43.6177.200000113.1S741 A742 S749S741-A745 WeakPolarHBondContact O-CB 3.41Å; S741-A745 PolarHBondContact O-N 3.44Å; A742-A745 PolarHBondContact O-N 2.87Å; A745-S749 VanDerWaalsContact O-CB 3.31Å; A745-S749 WeakPolarHBondContact O-CB 3.49Å; A745-S749 PolarHBondContact O-N 2.92Å; A745-S749 PolarHBondContact O-OG 3.5Å
746V77.9Confident72.6Confident82 Ų8290.1 Ų90.150%0.49753%0.527SS..Hα-helixtrans-67.6-48177.1173.50000111.1A742 F743 I744 V748 S749 V750A742-V746 WeakPolarHBondContact O-CG2 3.41Å; A742-V746 PolarHBondContact O-N 3.2Å; F743-V746 PolarHBondContact O-N 3.25Å; I744-V746 PolarHBondContact O-N 2.95Å; V746-V748 PolarHBondContact O-N 3.4Å; V746-S749 WeakPolarHBondContact CA-OG 3.41Å; V746-S749 PolarHBondContact O-N 3.3Å; V746-S749 PolarHBondContact O-OG 3.39Å; V746-V750 HydrophobicContact CG1-CG2 4.32Å; V746-V750 WeakPolarHBondContact O-CB 3.49Å; V746-V750 VanDerWaalsContact O-CG2 3.31Å; V746-V750 WeakPolarHBondContact O-CG2 3.14Å; V746-V750 PolarHBondContact O-N 2.9Å
747T79.5Confident74.9Confident51 Ų5188.6 Ų88.631%0.31352%0.516SS..Hα-helixtrans-65.4-38.1179.451.10000112.8F743 I744 S751F743-T747 HydrophobicContact CD1-CG2 4.1Å; F743-T747 HydrophobicContact CE1-CG2 3.69Å; F743-T747 HydrophobicContact CE2-CG2 4.15Å; F743-T747 HydrophobicContact CG-CG2 4.5Å; F743-T747 HydrophobicContact CZ-CG2 3.72Å; F743-T747 WeakPolarHBondContact O-CB 3.49Å; F743-T747 WeakPolarHBondContact O-CG2 3.29Å; F743-T747 PolarHBondContact O-N 3.08Å; F743-T747 PolarHBondContact O-OG1 3.23Å; I744-T747 WeakPolarHBondContact CA-OG1 3.39Å; I744-T747 PolarHBondContact O-N 3.42Å; I744-T747 PolarHBondContact O-OG1 3.15Å; T747-S751 WeakPolarHBondContact O-CB 3.49Å; T747-S751 PolarHBondContact O-N 2.92Å; T747-S751 PolarHBondContact O-OG 2.69Å
748V85.5Confident77.1Confident77 Ų7785 Ų8547%0.46749%0.493SS..Hα-helixtrans-67-43.6174.6168.90000111.5I744 V746 S751 L752I744-V748 HydrophobicContact CG2-CG2 4.11Å; I744-V748 WeakPolarHBondContact O-CB 3.37Å; I744-V748 WeakPolarHBondContact O-CG2 3.29Å; I744-V748 PolarHBondContact O-N 3.06Å; V746-V748 PolarHBondContact O-N 3.4Å; V748-S751 PolarHBondContact O-N 2.9Å; V748-L752 HydrophobicContact CG1-CD1 4.11Å; V748-L752 WeakPolarHBondContact O-CB 3.5Å; V748-L752 PolarHBondContact O-N 3.27Å
749S84Confident79.2Confident55 Ų5582.8 Ų82.839%0.38549%0.49SS..Hα-helixtrans-67.7-41.8178.755.40000112.8A745 V746 L752 L753A745-S749 VanDerWaalsContact O-CB 3.31Å; A745-S749 WeakPolarHBondContact O-CB 3.49Å; A745-S749 PolarHBondContact O-N 2.92Å; A745-S749 PolarHBondContact O-OG 3.5Å; V746-S749 WeakPolarHBondContact CA-OG 3.41Å; V746-S749 PolarHBondContact O-N 3.3Å; V746-S749 PolarHBondContact O-OG 3.39Å; S749-L752 PolarHBondContact O-N 2.84Å; S749-L753 WeakPolarHBondContact O-CB 3.35Å; S749-L753 WeakPolarHBondContact O-CG 3.43Å; S749-L753 PolarHBondContact O-N 2.94Å
750V87.7Confident80.6Confident76 Ų7683.3 Ų83.346%0.46148%0.483SS..Hα-helixtrans-63.2-42172.1172.60000110.9V746 L752 L753 C754V746-V750 HydrophobicContact CG1-CG2 4.32Å; V746-V750 WeakPolarHBondContact O-CB 3.49Å; V746-V750 VanDerWaalsContact O-CG2 3.31Å; V746-V750 WeakPolarHBondContact O-CG2 3.14Å; V746-V750 PolarHBondContact O-N 2.9Å; V750-L752 PolarHBondContact O-N 2.88Å; V750-L753 PolarHBondContact O-N 3.26Å; V750-C754 WeakPolarHBondContact O-CB 3.27Å; V750-C754 PolarHBondContact O-N 3.3Å; V750-C754 PolarHBondContact O-SG 2.85Å; V750-C754 VanDerWaalsContact O-SG 3.35Å
751S86.9Confident81.9Confident65 Ų6581 Ų8146%0.45548%0.475SS..Hα-helixtrans-63.5-42.2176.6-61.40000112.2T747 V748 C754 I755T747-S751 WeakPolarHBondContact O-CB 3.49Å; T747-S751 PolarHBondContact O-N 2.92Å; T747-S751 PolarHBondContact O-OG 2.69Å; V748-S751 PolarHBondContact O-N 2.9Å; S751-C754 PolarHBondContact O-N 3.35Å; S751-I755 VanDerWaalsContact O-CG1 3.29Å; S751-I755 WeakPolarHBondContact O-CG1 3.32Å; S751-I755 PolarHBondContact O-N 2.9Å
752L88.1Confident82.6Confident95 Ų9580.8 Ų80.850%0.49747%0.469SS..Hα-helixtrans-61.7-43.4173.2-93.5161.6000111.9V748 S749 V750 I755 I756V748-L752 HydrophobicContact CG1-CD1 4.11Å; V748-L752 WeakPolarHBondContact O-CB 3.5Å; V748-L752 PolarHBondContact O-N 3.27Å; S749-L752 PolarHBondContact O-N 2.84Å; V750-L752 PolarHBondContact O-N 2.88Å; L752-I755 PolarHBondContact O-N 3.34Å; L752-I756 WeakPolarHBondContact O-CB 3.43Å; L752-I756 WeakPolarHBondContact O-CD1 3.41Å; L752-I756 VanDerWaalsContact O-CG1 3.24Å; L752-I756 WeakPolarHBondContact O-CG1 3.31Å; L752-I756 PolarHBondContact O-N 3.49Å
753L89.3Confident83.2Confident94 Ų9481.6 Ų81.649%0.49247%0.472SS..Hα-helixtrans-62.3-42.7174.4-74.9167.6000111.5S749 V750 I755 I756 F757S749-L753 WeakPolarHBondContact O-CB 3.35Å; S749-L753 WeakPolarHBondContact O-CG 3.43Å; S749-L753 PolarHBondContact O-N 2.94Å; V750-L753 PolarHBondContact O-N 3.26Å; L753-I755 PolarHBondContact O-N 2.87Å; L753-I756 PolarHBondContact O-N 2.71Å; L753-F757 WeakPolarHBondContact O-CB 3.29Å; L753-F757 VanDerWaalsContact O-CD2 3.31Å; L753-F757 WeakPolarHBondContact O-CD2 3.47Å; L753-F757 PolarHBondContact O-N 2.87Å
754C88.4Confident83.3Confident78 Ų7884.1 Ų84.153%0.52748%0.478SS..Hα-helixtrans-63.8-37.8174.8-72.30000112.9V750 S751 S758V750-C754 WeakPolarHBondContact O-CB 3.27Å; V750-C754 PolarHBondContact O-N 3.3Å; V750-C754 PolarHBondContact O-SG 2.85Å; V750-C754 VanDerWaalsContact O-SG 3.35Å; S751-C754 PolarHBondContact O-N 3.35Å; C754-S758 VanDerWaalsContact O-CB 3.29Å; C754-S758 WeakPolarHBondContact O-CB 3.46Å; C754-S758 PolarHBondContact O-N 3.27Å; C754-S758 PolarHBondContact O-OG 2.85Å
755I89.7Confident83Confident115 Ų11580.8 Ų80.859%0.5947%0.468SS*.Hα-helixtrans-67.7-40.2173.6-69.1165000111S751 L752 L753 S758 G759S751-I755 VanDerWaalsContact O-CG1 3.29Å; S751-I755 WeakPolarHBondContact O-CG1 3.32Å; S751-I755 PolarHBondContact O-N 2.9Å; L752-I755 PolarHBondContact O-N 3.34Å; L753-I755 PolarHBondContact O-N 2.87Å; I755-S758 WeakPolarHBondContact CA-OG 3.24Å; I755-S758 PolarHBondContact O-OG 3.15Å; I755-G759 PolarHBondContact O-N 2.78Å
756I87.9Confident82.5Confident89 Ų8983.1 Ų83.146%0.45647%0.472SS..Hα-helixtrans-67-46.7175.8-70.1163.7000110.7L752 L753 G759 I760L752-I756 WeakPolarHBondContact O-CB 3.43Å; L752-I756 WeakPolarHBondContact O-CD1 3.41Å; L752-I756 VanDerWaalsContact O-CG1 3.24Å; L752-I756 WeakPolarHBondContact O-CG1 3.31Å; L752-I756 PolarHBondContact O-N 3.49Å; L753-I756 PolarHBondContact O-N 2.71Å; I756-G759 CarbonylContact O-C 3.39Å; I756-G759 PolarHBondContact O-N 2.8Å; I756-I760 HydrophobicContact CG2-CD1 3.78Å; I756-I760 HydrophobicContact CG2-CG1 4.48Å; I756-I760 WeakPolarHBondContact O-CB 3.25Å; I756-I760 VanDerWaalsContact O-CG1 3.27Å; I756-I760 WeakPolarHBondContact O-CG1 3.4Å; I756-I760 PolarHBondContact O-N 3.26Å
757F87Confident81.7Confident124 Ų12482.2 Ų82.254%0.54447%0.47SS..Hα-helixtrans-66.4-41178.2-87.6-68.9000112.4L753 I760 I761L753-F757 WeakPolarHBondContact O-CB 3.29Å; L753-F757 VanDerWaalsContact O-CD2 3.31Å; L753-F757 WeakPolarHBondContact O-CD2 3.47Å; L753-F757 PolarHBondContact O-N 2.87Å; F757-I760 PolarHBondContact O-N 2.89Å; F757-I761 WeakPolarHBondContact O-CB 3.41Å; F757-I761 WeakPolarHBondContact O-CD1 3.42Å; F757-I761 VanDerWaalsContact O-CG1 3.22Å; F757-I761 WeakPolarHBondContact O-CG1 3.27Å; F757-I761 PolarHBondContact O-N 2.71Å
758S86.6Confident80.7Confident59 Ų5987.2 Ų87.241%0.41349%0.487SS..Hα-helixtrans-65.9-37.3172.555.10000111.9C754 I755 I760 I761 V762C754-S758 VanDerWaalsContact O-CB 3.29Å; C754-S758 WeakPolarHBondContact O-CB 3.46Å; C754-S758 PolarHBondContact O-N 3.27Å; C754-S758 PolarHBondContact O-OG 2.85Å; I755-S758 WeakPolarHBondContact CA-OG 3.24Å; I755-S758 PolarHBondContact O-OG 3.15Å; S758-I760 PolarHBondContact O-N 3.27Å; S758-I761 PolarHBondContact O-N 2.76Å; S758-V762 VanDerWaalsContact O-CB 3.3Å; S758-V762 WeakPolarHBondContact O-CB 3.28Å; S758-V762 VanDerWaalsContact O-CG2 3.25Å; S758-V762 WeakPolarHBondContact O-CG2 3.48Å; S758-V762 PolarHBondContact O-N 3.49Å
759G86.6Confident79Confident35 Ų3590.4 Ų90.436%0.36150%0.501SS..Hα-helixtrans-63.2-36.8170.500000113.7I755 I756 S763I755-G759 PolarHBondContact O-N 2.78Å; I756-G759 CarbonylContact O-C 3.39Å; I756-G759 PolarHBondContact O-N 2.8Å; G759-S763 VanDerWaalsContact O-CB 3.31Å; G759-S763 WeakPolarHBondContact O-CB 3.31Å; G759-S763 PolarHBondContact O-N 3.5Å; G759-S763 PolarHBondContact O-OG 3.34Å
760I84.9Confident77.4Confident76 Ų7698.2 Ų98.239%0.3952%0.522SS..Hα-helixtrans-69.2-44.5173-71.3166.5000110.5I756 F757 S758 V762 S763 W764I756-I760 HydrophobicContact CG2-CD1 3.78Å; I756-I760 HydrophobicContact CG2-CG1 4.48Å; I756-I760 WeakPolarHBondContact O-CB 3.25Å; I756-I760 VanDerWaalsContact O-CG1 3.27Å; I756-I760 WeakPolarHBondContact O-CG1 3.4Å; I756-I760 PolarHBondContact O-N 3.26Å; F757-I760 PolarHBondContact O-N 2.89Å; S758-I760 PolarHBondContact O-N 3.27Å; I760-V762 PolarHBondContact O-N 2.75Å; I760-S763 WeakPolarHBondContact CA-OG 3.47Å; I760-S763 PolarHBondContact O-N 3.17Å; I760-S763 PolarHBondContact O-OG 2.79Å; I760-W764 VanDerWaalsContact O-CB 3.31Å; I760-W764 WeakPolarHBondContact O-CB 3.3Å; I760-W764 PolarHBondContact O-N 2.94Å
761I82.6Confident75.4Confident117 Ų117103.1 Ų103.160%0.654%0.537SS*.Hα-helixtrans-64.3-39.9176.8-70.2162.9000110.8F757 S758 G765F757-I761 WeakPolarHBondContact O-CB 3.41Å; F757-I761 WeakPolarHBondContact O-CD1 3.42Å; F757-I761 VanDerWaalsContact O-CG1 3.22Å; F757-I761 WeakPolarHBondContact O-CG1 3.27Å; F757-I761 PolarHBondContact O-N 2.71Å; S758-I761 PolarHBondContact O-N 2.76Å; I761-G765 WeakPolarHBondContact O-CA 3.22Å; I761-G765 PolarHBondContact O-N 3.32Å
762V80.3Confident73.4Confident85 Ų85105.1 Ų105.152%0.51555%0.548SS..Hα-helixtrans-70.3-38175.8168.30000111.4S758 I760 G765 L766S758-V762 VanDerWaalsContact O-CB 3.3Å; S758-V762 WeakPolarHBondContact O-CB 3.28Å; S758-V762 VanDerWaalsContact O-CG2 3.25Å; S758-V762 WeakPolarHBondContact O-CG2 3.48Å; S758-V762 PolarHBondContact O-N 3.49Å; I760-V762 PolarHBondContact O-N 2.75Å; V762-G765 PolarHBondContact O-N 2.79Å; V762-L766 HydrophobicContact CG1-CD1 3.73Å; V762-L766 HydrophobicContact CG1-CG 4.33Å; V762-L766 VanDerWaalsContact O-CB 3.29Å; V762-L766 WeakPolarHBondContact O-CB 3.08Å; V762-L766 WeakPolarHBondContact O-CG 3.31Å; V762-L766 PolarHBondContact O-N 3.4Å
763S72.8Confident71.2Confident62 Ų62104.9 Ų104.943%0.43455%0.547SS..Hα-helixtrans-77-31.2176.356.30000113.5G759 I760 S767G759-S763 VanDerWaalsContact O-CB 3.31Å; G759-S763 WeakPolarHBondContact O-CB 3.31Å; G759-S763 PolarHBondContact O-N 3.5Å; G759-S763 PolarHBondContact O-OG 3.34Å; I760-S763 WeakPolarHBondContact CA-OG 3.47Å; I760-S763 PolarHBondContact O-N 3.17Å; I760-S763 PolarHBondContact O-OG 2.79Å; S763-S767 VanDerWaalsContact O-CB 3.28Å; S763-S767 WeakPolarHBondContact O-CB 3.21Å; S763-S767 PolarHBondContact O-N 2.8Å; S763-S767 PolarHBondContact O-OG 2.76Å
764W71Confident68.9Low174 Ų174106 Ų10666%0.65955%0.548SS*.Hα-helixtrans-66.4-41.3164.7-96.856.4000111.2I760 S767 K768I760-W764 VanDerWaalsContact O-CB 3.31Å; I760-W764 WeakPolarHBondContact O-CB 3.3Å; I760-W764 PolarHBondContact O-N 2.94Å; W764-S767 WeakPolarHBondContact CA-OG 3.21Å; W764-S767 PolarHBondContact O-N 3.19Å; W764-S767 PolarHBondContact O-OG 3.46Å; W764-K768 WeakPolarHBondContact O-CB 3.23Å; W764-K768 WeakPolarHBondContact O-CG 3.31Å; W764-K768 PolarHBondContact O-N 3.23Å
765G70.9Confident66.6Low29 Ų29110.1 Ų110.130%0.29956%0.562SS.*Hα-helixtrans-60-51.4173.700000111.8I761 V762 S767 K768 L769I761-G765 WeakPolarHBondContact O-CA 3.22Å; I761-G765 PolarHBondContact O-N 3.32Å; V762-G765 PolarHBondContact O-N 2.79Å; G765-S767 VanDerWaalsContact C-N 3.35Å; G765-S767 PolarHBondContact O-N 3.2Å; G765-K768 PolarHBondContact O-N 2.79Å; G765-L769 VanDerWaalsContact O-CB 3.31Å; G765-L769 WeakPolarHBondContact O-CB 3.41Å; G765-L769 VanDerWaalsContact O-CG 3.23Å; G765-L769 WeakPolarHBondContact O-CG 3.29Å; G765-L769 PolarHBondContact O-N 2.81Å
766L64.7Low64.3Low107 Ų107108.1 Ų108.156%0.5656%0.556SS**Hα-helixtrans-69.2-27.3179.8-70.8169.5000113.4V762 L769 R770V762-L766 HydrophobicContact CG1-CD1 3.73Å; V762-L766 HydrophobicContact CG1-CG 4.33Å; V762-L766 VanDerWaalsContact O-CB 3.29Å; V762-L766 WeakPolarHBondContact O-CB 3.08Å; V762-L766 WeakPolarHBondContact O-CG 3.31Å; V762-L766 PolarHBondContact O-N 3.4Å; L766-L769 HydrophobicContact CD2-CD1 4.48Å; L766-R770 PolarHBondContact O-N 3.29Å
767S61.3Low61.9Low64 Ų64111.4 Ų111.445%0.44857%0.569SS.*Hα-helixtrans-82.8-29.5171.858.30000113.2S763 W764 G765 R770S763-S767 VanDerWaalsContact O-CB 3.28Å; S763-S767 WeakPolarHBondContact O-CB 3.21Å; S763-S767 PolarHBondContact O-N 2.8Å; S763-S767 PolarHBondContact O-OG 2.76Å; W764-S767 WeakPolarHBondContact CA-OG 3.21Å; W764-S767 PolarHBondContact O-N 3.19Å; W764-S767 PolarHBondContact O-OG 3.46Å; G765-S767 VanDerWaalsContact C-N 3.35Å; G765-S767 PolarHBondContact O-N 3.2Å; S767-R770 CarbonylContact O-C 3.53Å; S767-R770 PolarHBondContact O-N 3.43Å
768K57.7Low59.7Low156 Ų156109.3 Ų109.368%0.67857%0.57SS**Hα-helixtrans-69.4-34.6166.9-71.8-96.2-176.2163.90111.8W764 G765 R770W764-K768 WeakPolarHBondContact O-CB 3.23Å; W764-K768 WeakPolarHBondContact O-CG 3.31Å; W764-K768 PolarHBondContact O-N 3.23Å; G765-K768 PolarHBondContact O-N 2.79Å; K768-R770 PolarHBondContact O-N 3.4Å
769L51.9Low57.2Low143 Ų143112.9 Ų112.975%0.74959%0.585SS**SBendtrans-73.6-7.3169.8-71.7165.2000113.1G765 L766G765-L769 VanDerWaalsContact O-CB 3.31Å; G765-L769 WeakPolarHBondContact O-CB 3.41Å; G765-L769 VanDerWaalsContact O-CG 3.23Å; G765-L769 WeakPolarHBondContact O-CG 3.29Å; G765-L769 PolarHBondContact O-N 2.81Å; L766-L769 HydrophobicContact CD2-CD1 4.48Å
770R49.2Very low54.7Low220 Ų220119.8 Ų119.883%0.8360%0.601SS**SBendtrans-110.159.9168.9-79.1-171.4172.8-175.80.3112.1L766 S767 K768L766-R770 PolarHBondContact O-N 3.29Å; S767-R770 CarbonylContact O-C 3.53Å; S767-R770 PolarHBondContact O-N 3.43Å; K768-R770 PolarHBondContact O-N 3.4Å
771K44.8Very low52.2Low178 Ų178122.8 Ų122.877%0.77461%0.608SS**  trans-125.2134.1147.7-70.5-164.7174.9-171.30110
772P45.1Very low49.7Very low107 Ų107123.6 Ų123.670%0.69562%0.619SS**  trans-61.3160162.331.6-35.1000108.7K774P772-K774 PolarHBondContact O-N 3.23Å
773L42Very low47.3Very low91 Ų91127 Ų12748%0.47663%0.634SS.*SBendtrans7.7107.7130.1-71.574.2000111.3V794 H795L773-V794 HydrophobicContact CD2-CG2 3.85Å; L773-V794 HydrophobicContact CG-CG2 4.37Å; L773-H795 VanDerWaalsContact CD1-NE2 3.27Å; L773-H795 WeakPolarHBondContact CD1-NE2 2.96Å
774K40.9Very low45.4Very low116 Ų116129.4 Ų129.450%0.50465%0.649SS.*  169.2143.767.7-104.1156.8-176.7-127.70111P772 P793 V794P772-K774 PolarHBondContact O-N 3.23Å; K774-P793 HydrophobicContact CB-CG 3.57Å; K774-P793 WeakPolarHBondContact CD-O 3.16Å; K774-P793 WeakPolarHBondContact CE-O 3.39Å; K774-P793 VanDerWaalsContact CG-CD 3.46Å; K774-P793 HydrophobicContact CG-CG 3.94Å; K774-P793 VanDerWaalsContact CG-O 3.3Å; K774-P793 WeakPolarHBondContact CG-O 3.21Å; K774-P793 PolarHBondContact NZ-O 2.69Å; K774-V794 VanDerWaalsContact CE-CG2 3.48Å; K774-V794 HydrophobicContact CG-CB 4.41Å; K774-V794 HydrophobicContact CG-CG2 4.44Å
775M41.1Very low43.4Very low166 Ų166124.1 Ų124.182%0.81864%0.639SS**  trans-142152.3172.2174.6-178.4170.100109P793M775-P793 WeakPolarHBondContact O-CB 3.28Å; M775-P793 WeakPolarHBondContact O-CG 3.14Å
776P42.1Very low41.7Very low73 Ų73129.5 Ų129.547%0.47466%0.656SS.*  cis-112.6-139.822.724.80.9000113.3
777Q37.6Very low40.6Very low157 Ų157131.7 Ų131.773%0.73467%0.665SS**  cis-172160.517.3-165.5163.1-23.400108
778S39.3Very low39.8Very low80 Ų80134.4 Ų134.456%0.55968%0.675SS**  cis-159.7-163-19.5-1770000108.8
779D34.7Very low39.4Very low135 Ų135133 Ų13372%0.72268%0.679SS**  trans68.1103.1155.6-54-9.5000116.8
780Y34Very low39Very low180 Ų180130.3 Ų130.371%0.70668%0.678SS**  cis103.9139.820.7-144-51.2000112.3
781Y31.4Very low38.7Very low138 Ų138123.7 Ų123.754%0.54167%0.67SS.*  trans82.7104.1169.3-61.6-72.4000120.3L783 C784 S785Y781-L783 CarbonylContact C-O 3.32Å; Y781-L783 VanDerWaalsContact C-O 3.27Å; Y781-L783 WeakPolarHBondContact CA-O 3.3Å; Y781-L783 VanDerWaalsContact CB-O 3.28Å; Y781-L783 WeakPolarHBondContact CB-O 3.27Å; Y781-C784 WeakPolarHBondContact CB-O 3.44Å; Y781-S785 CarbonylContact O-C 3.27Å
782T30.9Very low38.6Very low135 Ų135120.9 Ų120.983%0.82867%0.668SS**SBendtrans-159.1110.3138.1-700000108
783L30.9Very low38.3Very low156 Ų156117.3 Ų117.382%0.81764%0.644SS**SBendcis14.1110-25.6-65.6169.2000116.6Y781Y781-L783 CarbonylContact C-O 3.32Å; Y781-L783 VanDerWaalsContact C-O 3.27Å; Y781-L783 WeakPolarHBondContact CA-O 3.3Å; Y781-L783 VanDerWaalsContact CB-O 3.28Å; Y781-L783 WeakPolarHBondContact CB-O 3.27Å
784C31Very low38.3Very low113 Ų113117.5 Ų117.576%0.76465%0.649SS**SBendtrans2.2112.4175.3-47.80000117Y781Y781-C784 WeakPolarHBondContact CB-O 3.44Å
785S30.7Very low38.4Very low62 Ų62118 Ų11843%0.43465%0.653SS.*  cis-165.1157.62.1-150.90000111.7Y781Y781-S785 CarbonylContact O-C 3.27Å
786E34.6Very low38.4Very low143 Ų143121.2 Ų121.267%0.66866%0.656SS**  trans57.4108.5149.6-69.2152.8121.700123.6
787M41.5Very low38.6Very low152 Ų152121.6 Ų121.675%0.74967%0.665SS**  73.4112.7128.5-63.1172.964.100124.8
788N45.4Very low39Very low122 Ų122120 Ų12065%0.65267%0.668SS**  85.9105.4128.7-63.9-15.1000125.8
789T47.4Very low39.3Very low125 Ų125129.6 Ų129.677%0.76770%0.701SS**  71.8108.1126.360.40000125.6
790A44.1Very low39.5Very low88 Ų88129.3 Ų129.373%0.72770%0.699SS**  83.7129.2118.800000125.8
791A43Very low39.8Very low81 Ų81126.6 Ų126.667%0.66970%0.699SS**  trans96.5104.1134.400000124.8
792V42.1Very low40.2Very low119 Ų119126 Ų12672%0.72171%0.708SS**  91.8135.3129.3176.60000122.4
793P38.9Very low40.8Very low31 Ų31125.5 Ų125.520%0.20170%0.701CS.*  trans-148.7-155.5-153.131.1-2000117.6K774 M775K774-P793 HydrophobicContact CB-CG 3.57Å; K774-P793 WeakPolarHBondContact CD-O 3.16Å; K774-P793 WeakPolarHBondContact CE-O 3.39Å; K774-P793 VanDerWaalsContact CG-CD 3.46Å; K774-P793 HydrophobicContact CG-CG 3.94Å; K774-P793 VanDerWaalsContact CG-O 3.3Å; K774-P793 WeakPolarHBondContact CG-O 3.21Å; K774-P793 PolarHBondContact NZ-O 2.69Å; M775-P793 WeakPolarHBondContact O-CB 3.28Å; M775-P793 WeakPolarHBondContact O-CG 3.14Å
794V42.9Very low41.4Very low95 Ų95123.6 Ų123.658%0.57669%0.694SS**  trans-169.8173.4157.582.80000117.7L773 K774L773-V794 HydrophobicContact CD2-CG2 3.85Å; L773-V794 HydrophobicContact CG-CG2 4.37Å; K774-V794 VanDerWaalsContact CE-CG2 3.48Å; K774-V794 HydrophobicContact CG-CB 4.41Å; K774-V794 HydrophobicContact CG-CG2 4.44Å
795H42.1Very low42.1Very low128 Ų128124.3 Ų124.359%0.59369%0.689SS**  trans-32.3163.3165.3-71.3-54.2000117.1L773L773-H795 VanDerWaalsContact CD1-NE2 3.27Å; L773-H795 WeakPolarHBondContact CD1-NE2 2.96Å
796R42.5Very low42.9Very low233 Ų233128.7 Ų128.788%0.87971%0.707SS**  cis-160.7-179.526.2-135.4177.1-166.7163.42.3107.6
797A46.1Very low43.6Very low80 Ų80127.6 Ų127.666%0.66171%0.71SS**  cis-155.4177.2-0.100000108.7
798P46.8Very low43.7Very low123 Ų123125.6 Ų125.680%0.79971%0.707SS**  trans-97.7155.3-178.237.8-33.6000115.5
799F43.8Very low43.6Very low282 Ų282125.9 Ų125.9100%1.23771%0.712SS**  trans-143.60153.2-120.8-70.5000107.8

Retrieved 799 of 799 residues in 342.8 ms (Link to these results)

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