A0A087YIP7_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase 46

AlphaFold DB , UniProt , Accession A0A087YIP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M37.2Very low35.6Very low242 Ų242149.2 Ų149.2100%1.19282%0.82SS**  096.80-76.1178.3-17500107.5
2T29.7Very low36.8Very low140 Ų140143.8 Ų143.886%0.85979%0.786SS**  trans-108.1108.1-175.600000107.1R4T2-R4 PolarHBondContact O-N 2.8Å
3V33Very low37.6Very low139 Ų139137 Ų13784%0.84277%0.769SS**  trans-77.4112.1176.6-1790000107.5N5V3-N5 PolarHBondContact O-N 3.32Å
4R32.4Very low38.8Very low224 Ų224137.1 Ų137.185%0.84578%0.775SS**  trans-77.1114.5171.2-77.9179.1172.9168.5-2.5108.5T2 I6T2-R4 PolarHBondContact O-N 2.8Å; R4-I6 PolarHBondContact O-N 3.46Å
5N32.8Very low40.8Very low163 Ų163138.3 Ų138.387%0.87278%0.779SS**  trans-66.2112.9161.8-100-15.7000108.5V3 A7V3-N5 PolarHBondContact O-N 3.32Å; N5-A7 PolarHBondContact O-N 3.43Å
6I34.7Very low43.2Very low157 Ų157130.8 Ų130.881%0.80574%0.74SS**  trans-86.693.6167-61.9173.2000105.9R4 S8R4-I6 PolarHBondContact O-N 3.46Å; I6-S8 PolarHBondContact O-N 3.31Å
7A36.2Very low45.9Very low81 Ų81125.2 Ų125.267%0.66971%0.711SS**  trans-68.9112.6161.200000107.3N5 I9N5-A7 PolarHBondContact O-N 3.43Å; A7-I9 PolarHBondContact O-N 3.27Å
8S36Very low48.4Very low107 Ų107122.1 Ų122.175%0.74870%0.703SS**  trans-69.294.9170176.60000108.3I6 C10I6-S8 PolarHBondContact O-N 3.31Å; S8-C10 PolarHBondContact O-N 3.15Å
9I39.6Very low50.8Low141 Ų141116.1 Ų116.172%0.72367%0.668SS**  trans-68.397.2168.9-61.9169.2000106.7A7 N11A7-I9 PolarHBondContact O-N 3.27Å; I9-N11 VanDerWaalsContact C-N 3.33Å; I9-N11 PolarHBondContact O-N 3.02Å
10C40.1Very low52.9Low99 Ų99112.2 Ų112.267%0.66964%0.644SS**  trans-66.897.4163.2-105.80000107.5S8 M12S8-C10 PolarHBondContact O-N 3.15Å; C10-M12 PolarHBondContact O-N 3.22Å
11N40.1Very low54.8Low148 Ų148112.4 Ų112.479%0.79164%0.637SS**  trans-54.8108.9168-99.2-9.8000108.6I9 G13I9-N11 VanDerWaalsContact C-N 3.33Å; I9-N11 PolarHBondContact O-N 3.02Å; N11-G13 PolarHBondContact O-N 2.97Å; N11-G13 VanDerWaalsContact O-N 3.13Å
12M50Low57.4Low85 Ų85106.1 Ų106.142%0.41961%0.609SS.*  trans-58.4117.6164.4-87.1-169.2162.100107.6C10 E20 K21 P25C10-M12 PolarHBondContact O-N 3.22Å; M12-E20 WeakPolarHBondContact CE-O 3.18Å; M12-K21 HydrophobicContact SD-CG 4.38Å; M12-P25 HydrophobicContact CE-CB 4.06Å; M12-P25 HydrophobicContact CE-CG 4.1Å
13G47Very low60.5Low55 Ų5599.7 Ų99.757%0.56757%0.569SS**  trans-56.6143.4171.200000109.7N11 N15 A16N11-G13 PolarHBondContact O-N 2.97Å; N11-G13 VanDerWaalsContact O-N 3.13Å; G13-N15 PolarHBondContact O-N 3.49Å; G13-A16 PolarHBondContact O-N 2.66Å
14T54.2Low63.2Low138 Ų13893.8 Ų93.885%0.84754%0.536SS*.THydrogen-bonded Turntrans-56.8-0.2179.537.50000115.3
15N69.4Low65.7Low155 Ų15586.9 Ų86.983%0.82952%0.52SS*.THydrogen-bonded Turntrans-110.59.6-175.7-65.7-25.1000115G13G13-N15 PolarHBondContact O-N 3.49Å
16A78.9Confident68.2Low19 Ų1988.1 Ų88.116%0.15752%0.521CS..  trans-69.8139.1177.100000112.1G13 E20 K21G13-A16 PolarHBondContact O-N 2.66Å; A16-E20 HydrophobicContact CB-CB 4.17Å; A16-K21 HydrophobicContact CB-CG 4.26Å; A16-K21 WeakPolarHBondContact O-CE 3.47Å; A16-K21 PolarHBondContact O-NZ 2.94Å
17S89.9Confident70.8Confident35 Ų3586.3 Ų86.325%0.24551%0.509CS..  trans-63.9164.317563.90000112.2L19 E20 K21 V94S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.98Å; S17-E20 VanDerWaalsContact CB-OE1 3.32Å; S17-E20 WeakPolarHBondContact CB-OE1 3.12Å; S17-E20 PolarHBondContact N-OE1 2.75Å; S17-E20 PolarHBondContact O-N 2.84Å; S17-E20 VanDerWaalsContact OG-CG 3.27Å; S17-E20 WeakPolarHBondContact OG-CG 3.27Å; S17-E20 PolarHBondContact OG-N 2.97Å; S17-E20 PolarHBondContact OG-OE1 3.02Å; S17-K21 WeakPolarHBondContact O-CG 3.42Å; S17-K21 PolarHBondContact O-N 2.73Å; S17-K21 VanDerWaalsContact O-N 3.15Å; S17-V94 WeakPolarHBondContact OG-CB 3.35Å
18A91.1Very high73.5Confident69 Ų6983.1 Ų83.157%0.5748%0.48SS*.Hα-helixtrans-57.5-48176.300000111.3E20 K21 D22A18-E20 VanDerWaalsContact C-N 3.33Å; A18-E20 PolarHBondContact O-N 2.64Å; A18-K21 WeakPolarHBondContact O-CA 3.46Å; A18-K21 WeakPolarHBondContact O-CB 3.38Å; A18-K21 PolarHBondContact O-N 3.24Å; A18-D22 PolarHBondContact O-N 3.44Å
19L93.6Very high76.2Confident8 Ų878.7 Ų78.74%0.04245%0.448CS..Hα-helixtrans-59.3-40.1177.7-17763.4000113.2S17 K21 D22 I23 Y34 V94 L328 V335 K337S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.98Å; L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.63Å; L19-D22 PolarHBondContact O-N 2.84Å; L19-I23 HydrophobicContact CD1-CD1 3.85Å; L19-I23 HydrophobicContact CD1-CG1 4.11Å; L19-I23 HydrophobicContact CD2-CD1 4.44Å; L19-I23 HydrophobicContact CG-CD1 3.78Å; L19-I23 HydrophobicContact CG-CG1 4.41Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.48Å; L19-Y34 HydrophobicContact CD2-CD2 4.2Å; L19-Y34 HydrophobicContact CD2-CG 4.43Å; L19-V94 HydrophobicContact CB-CG1 4.2Å; L19-V94 HydrophobicContact CB-CG2 4.29Å; L19-V94 HydrophobicContact CD2-CG1 3.95Å; L19-V94 HydrophobicContact CD2-CG2 3.94Å; L19-V94 HydrophobicContact CG-CG2 4.34Å; L19-L328 HydrophobicContact CD1-CD2 3.86Å; L19-L328 HydrophobicContact CD2-CD2 4.49Å; L19-V335 HydrophobicContact CD2-CB 3.91Å; L19-V335 HydrophobicContact CD2-CG1 3.57Å; L19-K337 HydrophobicContact CD1-CB 4.06Å
20E92.7Very high78.5Confident39 Ų3979.1 Ų79.118%0.18245%0.451CS..Hα-helixtrans-63.2-35.5175.4-75.7168.8-87.500112.3M12 A16 S17 A18 G24 F28 K93 V94M12-E20 WeakPolarHBondContact CE-O 3.18Å; A16-E20 HydrophobicContact CB-CB 4.17Å; S17-E20 VanDerWaalsContact CB-OE1 3.32Å; S17-E20 WeakPolarHBondContact CB-OE1 3.12Å; S17-E20 PolarHBondContact N-OE1 2.75Å; S17-E20 PolarHBondContact O-N 2.84Å; S17-E20 VanDerWaalsContact OG-CG 3.27Å; S17-E20 WeakPolarHBondContact OG-CG 3.27Å; S17-E20 PolarHBondContact OG-N 2.97Å; S17-E20 PolarHBondContact OG-OE1 3.02Å; A18-E20 VanDerWaalsContact C-N 3.33Å; A18-E20 PolarHBondContact O-N 2.64Å; E20-G24 PolarHBondContact O-N 3.46Å; E20-G24 VanDerWaalsContact O-N 3.07Å; E20-F28 HydrophobicContact CG-CD2 4.38Å; E20-F28 HydrophobicContact CG-CE2 4.03Å; E20-K93 HydrophobicContact CG-CB 4.24Å; E20-V94 HydrophobicContact CG-CG2 3.74Å
21K92.5Very high80.8Confident117 Ų11781 Ų8151%0.50945%0.454SS..Hα-helixtrans-71-41.5176.4-67.9168.5-179.3167.50111M12 A16 S17 A18 L19 G24M12-K21 HydrophobicContact SD-CG 4.38Å; A16-K21 HydrophobicContact CB-CG 4.26Å; A16-K21 WeakPolarHBondContact O-CE 3.47Å; A16-K21 PolarHBondContact O-NZ 2.94Å; S17-K21 WeakPolarHBondContact O-CG 3.42Å; S17-K21 PolarHBondContact O-N 2.73Å; S17-K21 VanDerWaalsContact O-N 3.15Å; A18-K21 WeakPolarHBondContact O-CA 3.46Å; A18-K21 WeakPolarHBondContact O-CB 3.38Å; A18-K21 PolarHBondContact O-N 3.24Å; L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.63Å; K21-G24 PolarHBondContact O-N 3.26Å
22D92.7Very high83.4Confident110 Ų11074.7 Ų74.759%0.58842%0.42SS*.Hα-helixtrans-70.7-35.8-177.7-66.4-12.7000112.8A18 L19A18-D22 PolarHBondContact O-N 3.44Å; L19-D22 PolarHBondContact O-N 2.84Å
23I93.3Very high85.6Confident5 Ų571.8 Ų71.83%0.02641%0.405CS..Hα-helixtrans-73.3-38.4172.6-63.6168.7000110.4L19 Q27 F28 Y34 F326 L328 K337L19-I23 HydrophobicContact CD1-CD1 3.85Å; L19-I23 HydrophobicContact CD1-CG1 4.11Å; L19-I23 HydrophobicContact CD2-CD1 4.44Å; L19-I23 HydrophobicContact CG-CD1 3.78Å; L19-I23 HydrophobicContact CG-CG1 4.41Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.48Å; I23-Q27 HydrophobicContact CG2-CB 4.06Å; I23-F28 HydrophobicContact CB-CD2 4.26Å; I23-F28 HydrophobicContact CD1-CD2 3.96Å; I23-F28 HydrophobicContact CD1-CE2 4.03Å; I23-F28 HydrophobicContact CG2-CB 4.01Å; I23-F28 HydrophobicContact CG2-CD2 4.09Å; I23-F28 HydrophobicContact CG2-CG 4.47Å; I23-Y34 HydrophobicContact CD1-CD2 3.98Å; I23-Y34 HydrophobicContact CD1-CE2 3.73Å; I23-F326 HydrophobicContact CD1-CE2 3.86Å; I23-F326 HydrophobicContact CD1-CZ 4.07Å; I23-F326 HydrophobicContact CG1-CE2 4.15Å; I23-F326 HydrophobicContact CG1-CZ 4.41Å; I23-F326 HydrophobicContact CG2-CE1 4.12Å; I23-F326 HydrophobicContact CG2-CE2 4.45Å; I23-F326 HydrophobicContact CG2-CZ 3.94Å; I23-L328 HydrophobicContact CD1-CD2 4.24Å; I23-K337 HydrophobicContact CG1-CB 4.43Å; I23-K337 HydrophobicContact CG1-CD 4.17Å
24G90.1Very high88.1Confident15 Ų1569.1 Ų69.116%0.15538%0.378CS..  trans80.6159.5-17700000113.4E20 K21 E26 F28E20-G24 PolarHBondContact O-N 3.46Å; E20-G24 VanDerWaalsContact O-N 3.07Å; K21-G24 PolarHBondContact O-N 3.26Å; G24-E26 VanDerWaalsContact C-N 3.34Å; G24-E26 PolarHBondContact O-N 2.65Å; G24-F28 WeakPolarHBondContact O-CB 3.39Å; G24-F28 PolarHBondContact O-N 3.47Å
25P85.1Confident90.2Very high79 Ų7963 Ų6351%0.51334%0.339SS..THydrogen-bonded Turntrans-73.1-25-169.229.4-31.2000113.5M12M12-P25 HydrophobicContact CE-CB 4.06Å; M12-P25 HydrophobicContact CE-CG 4.1Å
26E86.3Confident91.6Very high189 Ų18955.6 Ų55.688%0.88330%0.3SS*.THydrogen-bonded Turntrans-80-32.8-178.3-63.4-174.1171.100112.6G24G24-E26 VanDerWaalsContact C-N 3.34Å; G24-E26 PolarHBondContact O-N 2.65Å
27Q88.3Confident92.5Very high118 Ų11854.7 Ų54.755%0.55129%0.293SS*.THydrogen-bonded Turntrans-94.5-19.6-177.3-59.3-178.46.600112.5I23 P29I23-Q27 HydrophobicContact CG2-CB 4.06Å; Q27-P29 WeakPolarHBondContact O-CD 3.46Å
28F92.9Very high92.9Very high15 Ų1555.2 Ų55.27%0.06629%0.294CS..SBendtrans-65.1114.5-179.6-161.9-72.2000110.6E20 I23 G24 E32 Y34 K93 V94E20-F28 HydrophobicContact CG-CD2 4.38Å; E20-F28 HydrophobicContact CG-CE2 4.03Å; I23-F28 HydrophobicContact CB-CD2 4.26Å; I23-F28 HydrophobicContact CD1-CD2 3.96Å; I23-F28 HydrophobicContact CD1-CE2 4.03Å; I23-F28 HydrophobicContact CG2-CB 4.01Å; I23-F28 HydrophobicContact CG2-CD2 4.09Å; I23-F28 HydrophobicContact CG2-CG 4.47Å; G24-F28 WeakPolarHBondContact O-CB 3.39Å; G24-F28 PolarHBondContact O-N 3.47Å; F28-E32 WeakPolarHBondContact CE1-O 3.38Å; F28-Y34 HydrophobicContact CD2-CE2 4.26Å; F28-Y34 HydrophobicContact CE1-CE2 4.25Å; F28-Y34 AromaticContact CE2-CD2 3.64Å; F28-Y34 HydrophobicContact CE2-CD2 3.64Å; F28-Y34 AromaticContact CE2-CE2 3.58Å; F28-Y34 HydrophobicContact CE2-CE2 3.58Å; F28-Y34 AromaticContact CZ-CD2 3.61Å; F28-Y34 HydrophobicContact CZ-CD2 3.61Å; F28-Y34 AromaticContact CZ-CE2 3.54Å; F28-Y34 HydrophobicContact CZ-CE2 3.54Å; F28-K93 HydrophobicContact CD1-CD 3.88Å; F28-K93 HydrophobicContact CE1-CB 3.99Å; F28-K93 HydrophobicContact CE1-CD 3.6Å; F28-K93 HydrophobicContact CE1-CG 3.81Å; F28-K93 HydrophobicContact CE2-CB 4.25Å; F28-K93 HydrophobicContact CE2-CD 4.37Å; F28-K93 HydrophobicContact CG-CD 4.42Å; F28-K93 HydrophobicContact CZ-CB 3.58Å; F28-K93 HydrophobicContact CZ-CD 3.89Å; F28-K93 HydrophobicContact CZ-CG 3.95Å; F28-V94 HydrophobicContact CE2-CG2 4.25Å
29P91.8Very high93.2Very high13 Ų1354.4 Ų54.48%0.08428%0.28CS..  trans-65.9141.5-173.7-20.534.1000112.4Q27 N31 E32 Y34 H324 F326Q27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-N31 PolarHBondContact O-N 2.65Å; P29-E32 HydrophobicContact CB-CB 4.04Å; P29-E32 HydrophobicContact CB-CG 3.94Å; P29-E32 PolarHBondContact O-N 3.42Å; P29-Y34 VanDerWaalsContact CD-OH 3.25Å; P29-Y34 WeakPolarHBondContact CD-OH 3.39Å; P29-Y34 WeakPolarHBondContact CG-OH 3.34Å; P29-H324 HydrophobicContact CB-CB 4.38Å; P29-H324 HydrophobicContact CG-CB 3.61Å; P29-H324 WeakPolarHBondContact CG-CD2 3.41Å; P29-H324 VanDerWaalsContact CG-CG 3.49Å; P29-F326 HydrophobicContact CG-CE1 4.16Å; P29-F326 HydrophobicContact CG-CZ 4.25Å
30I88.6Confident93.3Very high150 Ų15056.6 Ų56.677%0.76929%0.289SS*.THydrogen-bonded Turntrans-66.4133.9177-58.1171.3000108.7E32I30-E32 PolarHBondContact O-N 2.87Å
31N89.1Confident93.3Very high138 Ų13856.5 Ų56.574%0.73830%0.299SS*.THydrogen-bonded Turntrans62.218.5-179.1-53.4-32.3000115.4P29P29-N31 PolarHBondContact O-N 2.65Å
32E94.4Very high93.4Very high16 Ų1654.1 Ų54.18%0.07529%0.292CS..  trans-94.6147.4167.6-79.3-64.8-157.400113.6F28 P29 I30 Y34 R60 H324F28-E32 WeakPolarHBondContact CE1-O 3.38Å; P29-E32 HydrophobicContact CB-CB 4.04Å; P29-E32 HydrophobicContact CB-CG 3.94Å; P29-E32 PolarHBondContact O-N 3.42Å; I30-E32 PolarHBondContact O-N 2.87Å; E32-Y34 HydrophobicContact CB-CE1 4.21Å; E32-R60 IonicContact OE1-CZ 2.67Å; E32-R60 VanDerWaalsContact OE1-CZ 3.32Å; E32-R60 IonicContact OE1-NH1 2.77Å; E32-R60 PolarHBondContact OE1-NH1 3.49Å; E32-R60 IonicContact OE1-NH2 3.15Å; E32-R60 PolarHBondContact OE1-NH2 3.28Å; E32-R60 IonicContact OE2-NH1 2.67Å; E32-R60 PolarHBondContact OE2-NH1 3.33Å; E32-H324 IonicContact OE1-NE2 2.86Å
33H96.8Very high93.6Very high24 Ų2448.9 Ų48.911%0.11126%0.264CS..  trans-130.5124.2-175.7-63.2-76.3000109.6F35 I87 A88 Q90 K92 K93H33-F35 HydrophobicContact CB-CD2 3.9Å; H33-F35 HydrophobicContact CB-CE2 3.84Å; H33-I87 HydrophobicContact CB-CG2 4.47Å; H33-I87 WeakPolarHBondContact CB-O 3.38Å; H33-A88 PolarHBondContact CD2-O 3.27Å; H33-A88 VanDerWaalsContact CD2-O 3.3Å; H33-Q90 PolarHBondContact CE1-O 2.82Å; H33-Q90 PolarHBondContact ND1-O 2.66Å; H33-K92 PolarHBondContact ND1-O 2.73Å; H33-K93 CarbonylContact C-O 3.59Å; H33-K93 WeakPolarHBondContact CA-O 3.42Å
34Y98.1Very high93.8Very high0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-111.7101-179.1-55.1-46.4000110.2L19 I23 F28 P29 E32 F55 K93 V94 G95 S323 F326 L328L19-Y34 HydrophobicContact CD2-CD2 4.2Å; L19-Y34 HydrophobicContact CD2-CG 4.43Å; I23-Y34 HydrophobicContact CD1-CD2 3.98Å; I23-Y34 HydrophobicContact CD1-CE2 3.73Å; F28-Y34 HydrophobicContact CD2-CE2 4.26Å; F28-Y34 HydrophobicContact CE1-CE2 4.25Å; F28-Y34 AromaticContact CE2-CD2 3.64Å; F28-Y34 HydrophobicContact CE2-CD2 3.64Å; F28-Y34 AromaticContact CE2-CE2 3.58Å; F28-Y34 HydrophobicContact CE2-CE2 3.58Å; F28-Y34 AromaticContact CZ-CD2 3.61Å; F28-Y34 HydrophobicContact CZ-CD2 3.61Å; F28-Y34 AromaticContact CZ-CE2 3.54Å; F28-Y34 HydrophobicContact CZ-CE2 3.54Å; P29-Y34 VanDerWaalsContact CD-OH 3.25Å; P29-Y34 WeakPolarHBondContact CD-OH 3.39Å; P29-Y34 WeakPolarHBondContact CG-OH 3.34Å; E32-Y34 HydrophobicContact CB-CE1 4.21Å; Y34-F55 HydrophobicContact CD1-CE1 4.38Å; Y34-F55 AromaticContact CD1-CZ 3.97Å; Y34-F55 HydrophobicContact CD1-CZ 3.97Å; Y34-F55 HydrophobicContact CE1-CE1 4.07Å; Y34-F55 HydrophobicContact CE1-CZ 4.14Å; Y34-K93 PolarHBondContact N-O 2.61Å; Y34-V94 VanDerWaalsContact O-CA 3.27Å; Y34-V94 WeakPolarHBondContact O-CA 3.35Å; Y34-G95 PolarHBondContact O-N 3.34Å; Y34-S323 WeakPolarHBondContact CE1-OG 3.24Å; Y34-S323 PolarHBondContact OH-OG 2.95Å; Y34-F326 HydrophobicContact CE2-CE2 4.41Å; Y34-F326 HydrophobicContact CE2-CZ 4.2Å; Y34-F326 VanDerWaalsContact OH-CZ 3.27Å; Y34-F326 WeakPolarHBondContact OH-CZ 3.31Å; Y34-L328 HydrophobicContact CD1-CD1 3.46Å; Y34-L328 VanDerWaalsContact CD1-CD1 3.46Å; Y34-L328 HydrophobicContact CD2-CD1 4.09Å; Y34-L328 HydrophobicContact CE1-CD1 3.5Å; Y34-L328 HydrophobicContact CE2-CD1 4.14Å; Y34-L328 HydrophobicContact CG-CD1 3.76Å
35F98.4Very high94.2Very high8 Ų848.2 Ų48.24%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-123.3123.4-174.5-77.5-105.2000111.7H33 Q51 I87 Q90 K92 G95 I97H33-F35 HydrophobicContact CB-CD2 3.9Å; H33-F35 HydrophobicContact CB-CE2 3.84Å; F35-Q51 PolarHBondContact O-NE2 3.3Å; F35-I87 HydrophobicContact CB-CG2 4.32Å; F35-I87 HydrophobicContact CD2-CG2 4.48Å; F35-Q90 HydrophobicContact CD1-CG 4.13Å; F35-Q90 HydrophobicContact CD2-CB 4.41Å; F35-Q90 HydrophobicContact CD2-CG 4.16Å; F35-Q90 HydrophobicContact CE1-CB 4.13Å; F35-Q90 HydrophobicContact CE1-CG 3.61Å; F35-Q90 HydrophobicContact CE2-CB 3.54Å; F35-Q90 HydrophobicContact CE2-CG 3.68Å; F35-Q90 HydrophobicContact CG-CG 4.4Å; F35-Q90 HydrophobicContact CZ-CB 3.38Å; F35-Q90 HydrophobicContact CZ-CG 3.38Å; F35-K92 VanDerWaalsContact CE2-O 3.29Å; F35-K92 WeakPolarHBondContact CE2-O 3.44Å; F35-K92 HydrophobicContact CZ-CB 4.15Å; F35-K92 WeakPolarHBondContact CZ-O 3.36Å; F35-G95 CarbonylContact C-O 3.58Å; F35-G95 VanDerWaalsContact CA-O 3.24Å; F35-G95 WeakPolarHBondContact CA-O 3.32Å; F35-G95 VanDerWaalsContact CE1-CA 3.48Å; F35-I97 HydrophobicContact CB-CD1 4.01Å; F35-I97 HydrophobicContact CB-CG1 4.4Å; F35-I97 HydrophobicContact CD1-CD1 3.78Å; F35-I97 HydrophobicContact CD1-CG1 3.78Å; F35-I97 HydrophobicContact CG-CD1 3.94Å; F35-I97 HydrophobicContact CG-CG1 4.36Å
36G98.5Very high94.8Very high0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-67.1159.516800000111.6G95 V96 I97 D332G36-G95 PolarHBondContact N-O 3.47Å; G36-V96 CarbonylContact O-C 3.49Å; G36-V96 WeakPolarHBondContact O-CA 3.31Å; G36-I97 PolarHBondContact O-N 2.83Å; G36-D332 CarbonylContact C-O 3.28Å; G36-D332 VanDerWaalsContact C-O 3.28Å; G36-D332 WeakPolarHBondContact CA-O 3.34Å
37L98.8Very high95.4Very high1 Ų135.6 Ų35.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-113.5125.7177.3-64.7176.9000110.5N39 N47 L50 Q51 L83 I97 P99 D332 D333L37-N39 PolarHBondContact O-N 3.46Å; L37-N47 HydrophobicContact CB-CB 4.03Å; L37-N47 HydrophobicContact CD1-CB 4.23Å; L37-N47 PolarHBondContact O-ND2 3.46Å; L37-N47 VanDerWaalsContact O-ND2 3.13Å; L37-L50 HydrophobicContact CD1-CB 3.95Å; L37-L50 HydrophobicContact CD1-CD1 4.09Å; L37-Q51 HydrophobicContact CD1-CG 4.42Å; L37-L83 HydrophobicContact CD2-CD1 4.13Å; L37-I97 WeakPolarHBondContact CA-O 3.19Å; L37-I97 HydrophobicContact CD2-CB 4.35Å; L37-I97 HydrophobicContact CD2-CG2 4.4Å; L37-P99 HydrophobicContact CB-CG 4.27Å; L37-P99 HydrophobicContact CD2-CB 4.45Å; L37-P99 HydrophobicContact CD2-CG 4.37Å; L37-D332 PolarHBondContact N-O 3.47Å; L37-D332 CarbonylContact O-C 3.05Å; L37-D332 VanDerWaalsContact O-CA 3.24Å; L37-D332 WeakPolarHBondContact O-CA 3.45Å; L37-D332 WeakPolarHBondContact O-CB 3.41Å; L37-D333 PolarHBondContact O-N 3.01Å
38V98.6Very high95.9Very high46 Ų4630.2 Ų30.228%0.27917%0.166SC..  trans-62.8132.9179.3-177.80000110.8F40 N47 V96 I97 P98V38-F40 HydrophobicContact CB-CE2 4.22Å; V38-F40 HydrophobicContact CB-CZ 4.06Å; V38-F40 HydrophobicContact CG1-CE1 4.16Å; V38-F40 HydrophobicContact CG1-CE2 4.45Å; V38-F40 HydrophobicContact CG1-CZ 4Å; V38-N47 PolarHBondContact O-ND2 2.83Å; V38-V96 HydrophobicContact CG2-CG1 3.52Å; V38-I97 PolarHBondContact N-O 3.03Å; V38-I97 VanDerWaalsContact N-O 3.12Å; V38-P98 HydrophobicContact CB-CB 4.32Å; V38-P98 HydrophobicContact CG2-CB 4Å
39N97.5Very high96.2Very high51 Ų5129.5 Ų29.527%0.27316%0.163SC..  trans-78.7125171.5-163.9-33.6000111.5L37 G41 N42 T43 D332L37-N39 PolarHBondContact O-N 3.46Å; N39-G41 PolarHBondContact OD1-N 3.01Å; N39-N42 PolarHBondContact OD1-N 3.33Å; N39-N42 VanDerWaalsContact OD1-N 3.16Å; N39-T43 WeakPolarHBondContact CA-OG1 3.47Å; N39-T43 PolarHBondContact OD1-N 2.96Å; N39-T43 PolarHBondContact OD1-OG1 3.4Å; N39-D332 HydrophobicContact CB-CB 4.27Å; N39-D332 WeakPolarHBondContact CB-OD2 3.39Å; N39-D332 PolarHBondContact ND2-OD2 3.27Å
40F95.7Very high96.5Very high54 Ų5429 Ų2924%0.23716%0.159CC..SBendtrans-101.640.6176.4-67.3-69.3000113.1V38 T43 P98 P99 K100 I103 R107V38-F40 HydrophobicContact CB-CE2 4.22Å; V38-F40 HydrophobicContact CB-CZ 4.06Å; V38-F40 HydrophobicContact CG1-CE1 4.16Å; V38-F40 HydrophobicContact CG1-CE2 4.45Å; V38-F40 HydrophobicContact CG1-CZ 4Å; F40-T43 HydrophobicContact CB-CG2 4.17Å; F40-T43 PolarHBondContact N-OG1 3.14Å; F40-P98 HydrophobicContact CE2-CB 4.29Å; F40-P98 HydrophobicContact CZ-CB 3.71Å; F40-P99 HydrophobicContact CD2-CG 4.43Å; F40-P99 HydrophobicContact CE2-CG 4.07Å; F40-K100 HydrophobicContact CE1-CD 4.35Å; F40-K100 HydrophobicContact CE1-CG 3.78Å; F40-K100 HydrophobicContact CE2-CG 3.79Å; F40-K100 HydrophobicContact CZ-CB 4.46Å; F40-K100 HydrophobicContact CZ-CD 4.13Å; F40-K100 HydrophobicContact CZ-CG 3.27Å; F40-I103 HydrophobicContact CD2-CG1 4.19Å; F40-R107 PolarHBondContact O-NH2 3.32Å
41G92.2Very high97Very high37 Ų3722 Ų2238%0.38112%0.124SC..SBendtrans80.3102.6-178.500000111.4N39 T43N39-G41 PolarHBondContact OD1-N 3.01Å; G41-T43 PolarHBondContact O-N 2.81Å
42N94.9Very high97.5Very high67 Ų6715.5 Ų15.536%0.3589%0.089SC..SBendtrans54.234.6-179.2-63.4-37.3000114.3N39 Y45 Y116 Q118N39-N42 PolarHBondContact OD1-N 3.33Å; N39-N42 VanDerWaalsContact OD1-N 3.16Å; N42-Y45 WeakPolarHBondContact O-CD1 3.4Å; N42-Y45 WeakPolarHBondContact O-CE1 3.41Å; N42-Y116 PolarHBondContact ND2-O 2.69Å; N42-Q118 HydrophobicContact CB-CG 3.95Å; N42-Q118 PolarHBondContact OD1-NE2 3.24Å
43T97.2Very high97.7Very high1 Ų114.7 Ų14.71%0.0069%0.085CC..  trans-101.18177.5550000113.9N39 F40 G41 Y45 C46 N47 I103N39-T43 WeakPolarHBondContact CA-OG1 3.47Å; N39-T43 PolarHBondContact OD1-N 2.96Å; N39-T43 PolarHBondContact OD1-OG1 3.4Å; F40-T43 HydrophobicContact CB-CG2 4.17Å; F40-T43 PolarHBondContact N-OG1 3.14Å; G41-T43 PolarHBondContact O-N 2.81Å; T43-Y45 PolarHBondContact O-N 3.27Å; T43-C46 WeakPolarHBondContact O-CA 3.2Å; T43-C46 VanDerWaalsContact O-CB 3.31Å; T43-C46 WeakPolarHBondContact O-CB 3.22Å; T43-C46 PolarHBondContact O-N 2.85Å; T43-N47 PolarHBondContact O-N 3.47Å; T43-I103 HydrophobicContact CG2-CD1 4.21Å; T43-I103 HydrophobicContact CG2-CG2 4.35Å
44C97.6Very high97.8Very high0 Ų013.7 Ų13.70%08%0.08CC..Hα-helixtrans-62.1-29.8-179.7520000112.9C46 N47 S48 Q118 H316 Y317 D332C44-C46 PolarHBondContact O-N 2.87Å; C44-N47 PolarHBondContact O-N 2.98Å; C44-S48 VanDerWaalsContact O-CB 3.26Å; C44-S48 WeakPolarHBondContact O-CB 3.31Å; C44-S48 PolarHBondContact O-N 2.84Å; C44-S48 PolarHBondContact O-OG 2.9Å; C44-Q118 PolarHBondContact SG-NE2 2.82Å; C44-Q118 VanDerWaalsContact SG-NE2 3.43Å; C44-H316 PolarHBondContact SG-ND1 3.33Å; C44-Y317 PolarHBondContact SG-N 3.31Å; C44-D332 WeakPolarHBondContact CB-OD1 3.2Å
45Y97.3Very high97.8Very high6 Ų614.2 Ų14.22%0.0248%0.082CC..Hα-helixtrans-57-34.7170.576-92.2000112.3N42 T43 S48 V49 F113 Q119 F124N42-Y45 WeakPolarHBondContact O-CD1 3.4Å; N42-Y45 WeakPolarHBondContact O-CE1 3.41Å; T43-Y45 PolarHBondContact O-N 3.27Å; Y45-S48 PolarHBondContact O-OG 2.78Å; Y45-V49 WeakPolarHBondContact O-CG2 3.12Å; Y45-F113 AromaticContact CE2-CD1 3.88Å; Y45-F113 HydrophobicContact CE2-CD1 3.88Å; Y45-F113 HydrophobicContact CE2-CE1 4.04Å; Y45-F113 AromaticContact CZ-CD1 3.96Å; Y45-F113 WeakPolarHBondContact OH-CD1 3.47Å; Y45-Q119 WeakPolarHBondContact CB-O 3.45Å; Y45-Q119 HydrophobicContact CD1-CB 3.77Å; Y45-Q119 HydrophobicContact CD1-CG 4.32Å; Y45-Q119 HydrophobicContact CD2-CB 3.97Å; Y45-Q119 HydrophobicContact CE1-CB 3.65Å; Y45-Q119 HydrophobicContact CE1-CG 3.75Å; Y45-Q119 HydrophobicContact CE2-CB 3.88Å; Y45-Q119 HydrophobicContact CE2-CG 4.45Å; Y45-Q119 HydrophobicContact CG-CB 3.93Å; Y45-F124 HydrophobicContact CD2-CB 3.69Å; Y45-F124 HydrophobicContact CD2-CD1 4.32Å; Y45-F124 AromaticContact CD2-CG 4Å; Y45-F124 HydrophobicContact CD2-CG 4Å; Y45-F124 HydrophobicContact CE2-CB 3.79Å; Y45-F124 HydrophobicContact CE2-CD2 4.21Å; Y45-F124 AromaticContact CE2-CG 3.91Å; Y45-F124 HydrophobicContact CE2-CG 3.91Å
46C98.2Very high97.8Very high0 Ų013.8 Ų13.80%08%0.081CC..Hα-helixtrans-80.3-48.2178.3176.90000110.5T43 C44 S48 V49 L50 I103 F124T43-C46 WeakPolarHBondContact O-CA 3.2Å; T43-C46 VanDerWaalsContact O-CB 3.31Å; T43-C46 WeakPolarHBondContact O-CB 3.22Å; T43-C46 PolarHBondContact O-N 2.85Å; C44-C46 PolarHBondContact O-N 2.87Å; C46-S48 VanDerWaalsContact C-N 3.34Å; C46-S48 PolarHBondContact O-N 3.37Å; C46-V49 PolarHBondContact O-N 2.85Å; C46-L50 WeakPolarHBondContact O-CB 3.35Å; C46-L50 VanDerWaalsContact O-CG 3.23Å; C46-L50 WeakPolarHBondContact O-CG 3.34Å; C46-L50 PolarHBondContact O-N 2.88Å; C46-I103 HydrophobicContact CB-CD1 4.17Å; C46-I103 VanDerWaalsContact SG-CD1 3.57Å; C46-F124 HydrophobicContact CB-CD1 4.31Å; C46-F124 HydrophobicContact CB-CE1 4.05Å; C46-F124 HydrophobicContact CB-CZ 4.23Å; C46-F124 WeakPolarHBondContact SG-CZ 3.38Å
47N98.8Very high97.8Very high3 Ų318.2 Ų18.22%0.01610%0.097CC..Hα-helixtrans-57.3-47179.3-69.6-15.1000111.9L37 V38 T43 C44 L50 Q51 D332L37-N47 HydrophobicContact CB-CB 4.03Å; L37-N47 HydrophobicContact CD1-CB 4.23Å; L37-N47 PolarHBondContact O-ND2 3.46Å; L37-N47 VanDerWaalsContact O-ND2 3.13Å; V38-N47 PolarHBondContact O-ND2 2.83Å; T43-N47 PolarHBondContact O-N 3.47Å; C44-N47 PolarHBondContact O-N 2.98Å; N47-L50 PolarHBondContact O-N 3.43Å; N47-Q51 VanDerWaalsContact O-CG 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.48Å; N47-Q51 PolarHBondContact O-N 2.94Å; N47-D332 PolarHBondContact ND2-OD1 2.83Å
48S98.8Very high97.7Very high4 Ų419 Ų193%0.02810%0.103CC..Hα-helixtrans-57.6-50.9178.9530000112.5C44 Y45 C46 L50 Q51 A52 Y317 T319C44-S48 VanDerWaalsContact O-CB 3.26Å; C44-S48 WeakPolarHBondContact O-CB 3.31Å; C44-S48 PolarHBondContact O-N 2.84Å; C44-S48 PolarHBondContact O-OG 2.9Å; Y45-S48 PolarHBondContact O-OG 2.78Å; C46-S48 VanDerWaalsContact C-N 3.34Å; C46-S48 PolarHBondContact O-N 3.37Å; S48-L50 PolarHBondContact O-N 2.77Å; S48-Q51 PolarHBondContact O-N 2.86Å; S48-A52 PolarHBondContact O-N 3.03Å; S48-Y317 WeakPolarHBondContact OG-CB 3.41Å; S48-T319 WeakPolarHBondContact CA-OG1 3.26Å; S48-T319 WeakPolarHBondContact CB-OG1 3.41Å; S48-T319 PolarHBondContact O-OG1 2.87Å
49V98.9Very high97.7Very high0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-63.7-39.8177.1171.70000111.9Y45 C46 Q51 A52 L53 A121 F124 L125 V305 I362Y45-V49 WeakPolarHBondContact O-CG2 3.12Å; C46-V49 PolarHBondContact O-N 2.85Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 2.89Å; V49-A52 PolarHBondContact O-N 2.84Å; V49-L53 HydrophobicContact CG1-CD1 3.92Å; V49-L53 HydrophobicContact CG1-CG 4.31Å; V49-L53 WeakPolarHBondContact O-CB 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.43Å; V49-L53 PolarHBondContact O-N 2.92Å; V49-A121 HydrophobicContact CG2-CB 3.89Å; V49-A121 WeakPolarHBondContact CG2-O 3.33Å; V49-F124 HydrophobicContact CB-CD1 3.66Å; V49-F124 HydrophobicContact CB-CE1 3.72Å; V49-F124 HydrophobicContact CG1-CD1 3.77Å; V49-F124 HydrophobicContact CG1-CE1 3.71Å; V49-F124 HydrophobicContact CG2-CD1 3.99Å; V49-L125 HydrophobicContact CG1-CB 4Å; V49-L125 HydrophobicContact CG1-CD1 3.86Å; V49-L125 HydrophobicContact CG2-CB 4.44Å; V49-V305 HydrophobicContact CG2-CG2 4.29Å; V49-I362 HydrophobicContact CG2-CD1 4.48Å
50L98.9Very high97.8Very high2 Ų215.6 Ų15.61%0.018%0.081CC..Hα-helixtrans-61.8-41.2176-72.4172.7000111.9L37 C46 N47 S48 Y54 L80 L83 F102 F124 L128L37-L50 HydrophobicContact CD1-CB 3.95Å; L37-L50 HydrophobicContact CD1-CD1 4.09Å; C46-L50 WeakPolarHBondContact O-CB 3.35Å; C46-L50 VanDerWaalsContact O-CG 3.23Å; C46-L50 WeakPolarHBondContact O-CG 3.34Å; C46-L50 PolarHBondContact O-N 2.88Å; N47-L50 PolarHBondContact O-N 3.43Å; S48-L50 PolarHBondContact O-N 2.77Å; L50-Y54 WeakPolarHBondContact O-CB 3.48Å; L50-Y54 PolarHBondContact O-N 3.34Å; L50-L80 HydrophobicContact CD2-CD1 3.42Å; L50-L80 VanDerWaalsContact CD2-CD1 3.42Å; L50-L83 HydrophobicContact CD1-CD2 3.88Å; L50-F102 HydrophobicContact CD1-CD1 3.96Å; L50-F102 HydrophobicContact CD1-CE1 3.95Å; L50-F102 HydrophobicContact CD2-CE1 4.06Å; L50-F102 HydrophobicContact CD2-CE2 4.49Å; L50-F102 HydrophobicContact CD2-CZ 3.99Å; L50-F102 HydrophobicContact CG-CE1 4.42Å; L50-F124 HydrophobicContact CG-CE1 4.44Å; L50-F124 HydrophobicContact CG-CZ 4.49Å; L50-L128 HydrophobicContact CD2-CD2 4.35Å
51Q98.8Very high97.9Very high5 Ų518.5 Ų18.52%0.02310%0.095CC..Hα-helixtrans-64-47.7174.1-65.7-67.25.800110.7F35 L37 N47 S48 V49 L53 Y54 F55 T319 F330F35-Q51 PolarHBondContact O-NE2 3.3Å; L37-Q51 HydrophobicContact CD1-CG 4.42Å; N47-Q51 VanDerWaalsContact O-CG 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.48Å; N47-Q51 PolarHBondContact O-N 2.94Å; S48-Q51 PolarHBondContact O-N 2.86Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 2.89Å; Q51-L53 VanDerWaalsContact C-N 3.3Å; Q51-L53 PolarHBondContact O-N 3.41Å; Q51-Y54 PolarHBondContact O-N 3Å; Q51-Y54 VanDerWaalsContact O-N 3.12Å; Q51-F55 WeakPolarHBondContact O-CD2 3.4Å; Q51-F55 PolarHBondContact O-N 2.84Å; Q51-F55 VanDerWaalsContact O-N 3.13Å; Q51-T319 HydrophobicContact CB-CG2 4.19Å; Q51-F330 HydrophobicContact CB-CB 4.41Å; Q51-F330 HydrophobicContact CB-CG 4.41Å; Q51-F330 HydrophobicContact CG-CB 3.95Å; Q51-F330 HydrophobicContact CG-CD1 3.96Å; Q51-F330 HydrophobicContact CG-CG 3.99Å
52A98.9Very high98.2Very high0 Ų019.3 Ų19.30%09%0.091CC..Hα-helixtrans-56.8-44.7178.400000112.1S48 V49 F55 C56 A303 V305 T319 F364S48-A52 PolarHBondContact O-N 3.03Å; V49-A52 PolarHBondContact O-N 2.84Å; A52-F55 PolarHBondContact O-N 2.81Å; A52-C56 PolarHBondContact O-N 3.11Å; A52-C56 PolarHBondContact O-SG 2.82Å; A52-A303 HydrophobicContact CB-CB 3.84Å; A52-V305 HydrophobicContact CB-CG2 3.89Å; A52-T319 HydrophobicContact CB-CG2 3.91Å; A52-F364 HydrophobicContact CB-CD2 3.84Å; A52-F364 HydrophobicContact CB-CE2 3.55Å; A52-F364 HydrophobicContact CB-CZ 4.11Å
53L98.9Very high98.4Very high0 Ų016.1 Ų16.10%07%0.074CC..Hα-helixtrans-69.3-34177.1-70.8175.8000113.1V49 Q51 F55 C56 F59 F84 L125 L128 L129 F175 F364V49-L53 HydrophobicContact CG1-CD1 3.92Å; V49-L53 HydrophobicContact CG1-CG 4.31Å; V49-L53 WeakPolarHBondContact O-CB 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.43Å; V49-L53 PolarHBondContact O-N 2.92Å; Q51-L53 VanDerWaalsContact C-N 3.3Å; Q51-L53 PolarHBondContact O-N 3.41Å; L53-F55 VanDerWaalsContact C-N 3.3Å; L53-F55 PolarHBondContact O-N 3.06Å; L53-C56 WeakPolarHBondContact O-CB 3.33Å; L53-C56 PolarHBondContact O-N 2.68Å; L53-F59 HydrophobicContact CB-CD1 3.84Å; L53-F59 HydrophobicContact CB-CE1 3.79Å; L53-F59 HydrophobicContact CD1-CE1 4.11Å; L53-F59 HydrophobicContact CD1-CZ 4.31Å; L53-F59 HydrophobicContact CD2-CD1 4.29Å; L53-F59 HydrophobicContact CD2-CE1 4.32Å; L53-F59 HydrophobicContact CG-CE1 4.31Å; L53-F59 WeakPolarHBondContact O-CD1 3.41Å; L53-F84 HydrophobicContact CB-CZ 4.29Å; L53-L125 HydrophobicContact CD1-CD1 4.16Å; L53-L125 HydrophobicContact CD2-CD1 4.1Å; L53-L125 HydrophobicContact CG-CD1 4.35Å; L53-L128 HydrophobicContact CD1-CD2 3.59Å; L53-L129 HydrophobicContact CD2-CD2 4.33Å; L53-F175 HydrophobicContact CD2-CE1 4.46Å; L53-F175 HydrophobicContact CD2-CE2 4.28Å; L53-F175 HydrophobicContact CD2-CZ 3.68Å; L53-F364 HydrophobicContact CD2-CE1 4.02Å
54Y98.8Very high98.4Very high2 Ų218.2 Ų18.21%0.0089%0.085CC..Hα-helixtrans-64.1-36.5176-173.8-97.3000111.8L50 Q51 C56 R60 F84 I87L50-Y54 WeakPolarHBondContact O-CB 3.48Å; L50-Y54 PolarHBondContact O-N 3.34Å; Q51-Y54 PolarHBondContact O-N 3Å; Q51-Y54 VanDerWaalsContact O-N 3.12Å; Y54-C56 VanDerWaalsContact C-N 3.35Å; Y54-R60 HydrophobicContact CD2-CG 4.23Å; Y54-R60 HydrophobicContact CE2-CG 4.1Å; Y54-R60 WeakPolarHBondContact O-CB 3.23Å; Y54-R60 VanDerWaalsContact O-CD 3.27Å; Y54-R60 WeakPolarHBondContact O-CD 3.34Å; Y54-F84 HydrophobicContact CD2-CB 4.26Å; Y54-F84 AromaticContact CD2-CD1 3.8Å; Y54-F84 HydrophobicContact CD2-CD1 3.8Å; Y54-F84 AromaticContact CD2-CD2 3.76Å; Y54-F84 HydrophobicContact CD2-CD2 3.76Å; Y54-F84 AromaticContact CD2-CE1 3.98Å; Y54-F84 HydrophobicContact CD2-CE1 3.98Å; Y54-F84 AromaticContact CD2-CE2 3.95Å; Y54-F84 HydrophobicContact CD2-CE2 3.95Å; Y54-F84 AromaticContact CD2-CG 3.68Å; Y54-F84 HydrophobicContact CD2-CG 3.68Å; Y54-F84 HydrophobicContact CD2-CZ 4.05Å; Y54-F84 HydrophobicContact CE2-CB 4.24Å; Y54-F84 HydrophobicContact CE2-CD2 4.37Å; Y54-F84 HydrophobicContact CE2-CG 4.16Å; Y54-F84 HydrophobicContact CG-CZ 4.46Å; Y54-I87 HydrophobicContact CD2-CD1 4.17Å; Y54-I87 HydrophobicContact CE1-CG2 3.95Å; Y54-I87 HydrophobicContact CE2-CB 3.99Å; Y54-I87 HydrophobicContact CE2-CD1 4.21Å; Y54-I87 HydrophobicContact CE2-CG2 3.98Å; Y54-I87 WeakPolarHBondContact OH-CG2 3.44Å
55F98.6Very high98.4Very high11 Ų1120.7 Ų20.75%0.04811%0.105CC..Hα-helixtrans-85.2-7.4177.9-74.9-93.5000113.8Y34 Q51 A52 L53 R57 V321 L328 F330Y34-F55 HydrophobicContact CD1-CE1 4.38Å; Y34-F55 AromaticContact CD1-CZ 3.97Å; Y34-F55 HydrophobicContact CD1-CZ 3.97Å; Y34-F55 HydrophobicContact CE1-CE1 4.07Å; Y34-F55 HydrophobicContact CE1-CZ 4.14Å; Q51-F55 WeakPolarHBondContact O-CD2 3.4Å; Q51-F55 PolarHBondContact O-N 2.84Å; Q51-F55 VanDerWaalsContact O-N 3.13Å; A52-F55 PolarHBondContact O-N 2.81Å; L53-F55 VanDerWaalsContact C-N 3.3Å; L53-F55 PolarHBondContact O-N 3.06Å; F55-R57 PolarHBondContact O-N 3.34Å; F55-V321 HydrophobicContact CB-CB 3.84Å; F55-V321 HydrophobicContact CB-CG1 3.94Å; F55-V321 HydrophobicContact CB-CG2 4.46Å; F55-V321 HydrophobicContact CD1-CB 4.01Å; F55-V321 HydrophobicContact CD1-CG2 3.77Å; F55-V321 HydrophobicContact CD2-CB 3.85Å; F55-V321 HydrophobicContact CD2-CG1 3.73Å; F55-V321 HydrophobicContact CD2-CG2 3.65Å; F55-V321 HydrophobicContact CE1-CG2 3.82Å; F55-V321 HydrophobicContact CE2-CB 4.42Å; F55-V321 HydrophobicContact CE2-CG1 4.44Å; F55-V321 HydrophobicContact CE2-CG2 3.71Å; F55-V321 HydrophobicContact CG-CB 3.62Å; F55-V321 HydrophobicContact CG-CG1 3.89Å; F55-V321 HydrophobicContact CG-CG2 3.68Å; F55-V321 HydrophobicContact CZ-CG2 3.79Å; F55-L328 HydrophobicContact CZ-CD1 4.49Å; F55-F330 AromaticContact CE2-CE2 3.73Å; F55-F330 HydrophobicContact CE2-CE2 3.73Å; F55-F330 AromaticContact CE2-CZ 3.69Å; F55-F330 HydrophobicContact CE2-CZ 3.69Å; F55-F330 AromaticContact CZ-CE2 3.86Å; F55-F330 HydrophobicContact CZ-CE2 3.86Å; F55-F330 AromaticContact CZ-CZ 3.75Å; F55-F330 HydrophobicContact CZ-CZ 3.75Å
56C98.6Very high98.3Very high0 Ų020.8 Ų20.80%011%0.106CC..SBendtrans-72.990.1162.8-700000109.8A52 L53 Y54 F59 R60 I253A52-C56 PolarHBondContact O-N 3.11Å; A52-C56 PolarHBondContact O-SG 2.82Å; L53-C56 WeakPolarHBondContact O-CB 3.33Å; L53-C56 PolarHBondContact O-N 2.68Å; Y54-C56 VanDerWaalsContact C-N 3.35Å; C56-F59 HydrophobicContact CB-CB 4.05Å; C56-F59 WeakPolarHBondContact O-CA 3.36Å; C56-F59 WeakPolarHBondContact O-CB 3.45Å; C56-F59 PolarHBondContact O-N 3.4Å; C56-R60 PolarHBondContact O-N 3.09Å; C56-I253 HydrophobicContact CB-CD1 3.58Å
57R97.3Very high98.2Very high92 Ų9224.8 Ų24.835%0.34712%0.123SC..Hα-helixtrans-51.3-48.5-170.3-65.1-176.7178.9-149.9-7.3115F55 F59 R60 E61 H324F55-R57 PolarHBondContact O-N 3.34Å; R57-F59 PolarHBondContact O-N 3.04Å; R57-R60 PolarHBondContact O-N 2.7Å; R57-E61 WeakPolarHBondContact O-CB 3.33Å; R57-E61 WeakPolarHBondContact O-CG 3.45Å; R57-E61 PolarHBondContact O-N 3.2Å; R57-H324 PolarHBondContact NH2-CD2 2.92Å; R57-H324 VanDerWaalsContact NH2-CD2 3.3Å; R57-H324 PolarHBondContact NH2-CE1 3.49Å; R57-H324 PolarHBondContact NH2-NE2 3.47Å
58P98.3Very high98Very high18 Ų1828.8 Ų28.812%0.11716%0.157CC..Hα-helixtrans-56.7-38176.9-2534.2000113.1N62 I174 M252 I253P58-N62 PolarHBondContact O-N 2.89Å; P58-N62 PolarHBondContact O-ND2 3.34Å; P58-I174 HydrophobicContact CB-CD1 4.08Å; P58-I174 HydrophobicContact CB-CG1 4.07Å; P58-M252 HydrophobicContact CB-SD 3.71Å; P58-M252 HydrophobicContact CG-SD 3.61Å; P58-I253 HydrophobicContact CG-CD1 4.25Å
59F98.7Very high97.6Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-71-47.7178.2-176.1-99000111.2L53 C56 R57 E61 N62 V63 L80 F84 L129 W170 I174 F175L53-F59 HydrophobicContact CB-CD1 3.84Å; L53-F59 HydrophobicContact CB-CE1 3.79Å; L53-F59 HydrophobicContact CD1-CE1 4.11Å; L53-F59 HydrophobicContact CD1-CZ 4.31Å; L53-F59 HydrophobicContact CD2-CD1 4.29Å; L53-F59 HydrophobicContact CD2-CE1 4.32Å; L53-F59 HydrophobicContact CG-CE1 4.31Å; L53-F59 WeakPolarHBondContact O-CD1 3.41Å; C56-F59 HydrophobicContact CB-CB 4.05Å; C56-F59 WeakPolarHBondContact O-CA 3.36Å; C56-F59 WeakPolarHBondContact O-CB 3.45Å; C56-F59 PolarHBondContact O-N 3.4Å; R57-F59 PolarHBondContact O-N 3.04Å; F59-E61 VanDerWaalsContact C-N 3.32Å; F59-E61 PolarHBondContact O-N 3.23Å; F59-N62 PolarHBondContact O-N 3.11Å; F59-V63 HydrophobicContact CD1-CG2 4.06Å; F59-V63 HydrophobicContact CE1-CG2 3.72Å; F59-V63 HydrophobicContact CE2-CG2 4.29Å; F59-V63 HydrophobicContact CG-CG2 4.47Å; F59-V63 HydrophobicContact CZ-CG2 3.86Å; F59-V63 WeakPolarHBondContact O-CB 3.38Å; F59-V63 VanDerWaalsContact O-CG2 3.31Å; F59-V63 WeakPolarHBondContact O-CG2 3.49Å; F59-V63 PolarHBondContact O-N 3.32Å; F59-L80 HydrophobicContact CE1-CD2 4.06Å; F59-L80 HydrophobicContact CZ-CD2 3.88Å; F59-F84 AromaticContact CD1-CE2 3.92Å; F59-F84 HydrophobicContact CD1-CE2 3.92Å; F59-F84 HydrophobicContact CD1-CZ 4.36Å; F59-F84 AromaticContact CE1-CE2 3.93Å; F59-F84 HydrophobicContact CE1-CE2 3.93Å; F59-F84 HydrophobicContact CE1-CZ 4.1Å; F59-L129 HydrophobicContact CE2-CD2 4Å; F59-L129 HydrophobicContact CZ-CD2 4.44Å; F59-W170 HydrophobicContact CD2-CH2 4.41Å; F59-W170 AromaticContact CD2-CZ3 3.63Å; F59-W170 HydrophobicContact CD2-CZ3 3.63Å; F59-W170 HydrophobicContact CE2-CH2 4.02Å; F59-W170 AromaticContact CE2-CZ3 3.6Å; F59-W170 HydrophobicContact CE2-CZ3 3.6Å; F59-I174 HydrophobicContact CB-CD1 4.22Å; F59-I174 HydrophobicContact CD2-CD1 4.47Å; F59-F175 HydrophobicContact CB-CE2 4.25Å; F59-F175 HydrophobicContact CB-CZ 4.43Å; F59-F175 AromaticContact CD2-CE2 3.6Å; F59-F175 HydrophobicContact CD2-CE2 3.6Å; F59-F175 HydrophobicContact CD2-CZ 4.39Å; F59-F175 HydrophobicContact CE2-CE2 4.21Å; F59-F175 HydrophobicContact CG-CE2 4.13Å
60R98.5Very high96.3Very high25 Ų2542.2 Ų42.29%0.09422%0.219CC..Hα-helixtrans-54.9-47.1175.6178.8177.665.4176.45.2112E32 Y54 C56 R57 V63 L64 F84E32-R60 IonicContact OE1-CZ 2.67Å; E32-R60 VanDerWaalsContact OE1-CZ 3.32Å; E32-R60 IonicContact OE1-NH1 2.77Å; E32-R60 PolarHBondContact OE1-NH1 3.49Å; E32-R60 IonicContact OE1-NH2 3.15Å; E32-R60 PolarHBondContact OE1-NH2 3.28Å; E32-R60 IonicContact OE2-NH1 2.67Å; E32-R60 PolarHBondContact OE2-NH1 3.33Å; Y54-R60 HydrophobicContact CD2-CG 4.23Å; Y54-R60 HydrophobicContact CE2-CG 4.1Å; Y54-R60 WeakPolarHBondContact O-CB 3.23Å; Y54-R60 VanDerWaalsContact O-CD 3.27Å; Y54-R60 WeakPolarHBondContact O-CD 3.34Å; C56-R60 PolarHBondContact O-N 3.09Å; R57-R60 PolarHBondContact O-N 2.7Å; R60-V63 PolarHBondContact O-N 3.49Å; R60-L64 HydrophobicContact CG-CD1 3.88Å; R60-L64 HydrophobicContact CG-CG 4.34Å; R60-L64 WeakPolarHBondContact O-CB 3.31Å; R60-L64 VanDerWaalsContact O-CG 3.27Å; R60-L64 WeakPolarHBondContact O-CG 3.29Å; R60-L64 PolarHBondContact O-N 3.04Å; R60-F84 HydrophobicContact CB-CD2 4.47Å; R60-F84 HydrophobicContact CB-CE2 4.44Å; R60-F84 HydrophobicContact CG-CD2 4.32Å
61E98.3Very high95.2Very high115 Ų11552.5 Ų52.554%0.53726%0.263SS..Hα-helixtrans-62.9-44.7-179.1-73.3170.6-171.200112R57 F59 L64 A65R57-E61 WeakPolarHBondContact O-CB 3.33Å; R57-E61 WeakPolarHBondContact O-CG 3.45Å; R57-E61 PolarHBondContact O-N 3.2Å; F59-E61 VanDerWaalsContact C-N 3.32Å; F59-E61 PolarHBondContact O-N 3.23Å; E61-L64 PolarHBondContact O-N 3.4Å; E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.18Å; E61-A65 PolarHBondContact O-N 3.42Å
62N98.5Very high94.4Very high54 Ų5455.3 Ų55.329%0.28928%0.276SS..Hα-helixtrans-64.9-39.5176.1-82.8-77.5000112.6P58 F59 A65 Y66 W170P58-N62 PolarHBondContact O-N 2.89Å; P58-N62 PolarHBondContact O-ND2 3.34Å; F59-N62 PolarHBondContact O-N 3.11Å; N62-A65 PolarHBondContact O-N 3.47Å; N62-Y66 WeakPolarHBondContact O-CB 3.35Å; N62-Y66 PolarHBondContact O-N 3.4Å; N62-W170 HydrophobicContact CB-CD2 3.71Å; N62-W170 HydrophobicContact CB-CE3 3.64Å; N62-W170 HydrophobicContact CB-CG 4.16Å; N62-W170 HydrophobicContact CB-CH2 4.46Å; N62-W170 HydrophobicContact CB-CZ2 4.49Å; N62-W170 HydrophobicContact CB-CZ3 4.05Å
63V98.3Very high94Very high0 Ų064.2 Ų64.20%031%0.314CS..Hα-helixtrans-66.1-41.9176.1170.80000111.4F59 R60 Y66 K67 L80 A81 F84 W170F59-V63 HydrophobicContact CD1-CG2 4.06Å; F59-V63 HydrophobicContact CE1-CG2 3.72Å; F59-V63 HydrophobicContact CE2-CG2 4.29Å; F59-V63 HydrophobicContact CG-CG2 4.47Å; F59-V63 HydrophobicContact CZ-CG2 3.86Å; F59-V63 WeakPolarHBondContact O-CB 3.38Å; F59-V63 VanDerWaalsContact O-CG2 3.31Å; F59-V63 WeakPolarHBondContact O-CG2 3.49Å; F59-V63 PolarHBondContact O-N 3.32Å; R60-V63 PolarHBondContact O-N 3.49Å; V63-Y66 WeakPolarHBondContact O-CB 3.09Å; V63-Y66 PolarHBondContact O-N 3.11Å; V63-K67 PolarHBondContact O-N 2.81Å; V63-K67 VanDerWaalsContact O-N 3.09Å; V63-L80 HydrophobicContact CG1-CG 4.25Å; V63-L80 HydrophobicContact CG2-CD2 4.25Å; V63-A81 HydrophobicContact CG1-CB 3.97Å; V63-F84 HydrophobicContact CB-CD2 3.85Å; V63-F84 HydrophobicContact CB-CE2 4.35Å; V63-F84 HydrophobicContact CG1-CB 3.91Å; V63-F84 HydrophobicContact CG1-CD2 3.55Å; V63-F84 HydrophobicContact CG1-CE2 4.29Å; V63-F84 HydrophobicContact CG1-CG 3.86Å; V63-F84 HydrophobicContact CG2-CD2 4.39Å; V63-F84 HydrophobicContact CG2-CE2 4.43Å; V63-W170 HydrophobicContact CG2-CH2 3.86Å; V63-W170 HydrophobicContact CG2-CZ3 4.44Å
64L97.8Very high93.8Very high46 Ų4669.8 Ų69.824%0.24134%0.34CS..Hα-helixtrans-67-38.3174.7-70.2174.9000111.9R60 E61 Y66 K67 A68 F84 H85 A88R60-L64 HydrophobicContact CG-CD1 3.88Å; R60-L64 HydrophobicContact CG-CG 4.34Å; R60-L64 WeakPolarHBondContact O-CB 3.31Å; R60-L64 VanDerWaalsContact O-CG 3.27Å; R60-L64 WeakPolarHBondContact O-CG 3.29Å; R60-L64 PolarHBondContact O-N 3.04Å; E61-L64 PolarHBondContact O-N 3.4Å; L64-Y66 VanDerWaalsContact C-N 3.34Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.34Å; L64-A68 PolarHBondContact O-N 2.97Å; L64-F84 HydrophobicContact CD2-CB 4.19Å; L64-H85 HydrophobicContact CD2-CB 4.1Å; L64-A88 HydrophobicContact CD1-CB 4.23Å; L64-A88 HydrophobicContact CD2-CB 4.14Å
65A97.4Very high93.6Very high51 Ų5170.9 Ų70.942%0.42135%0.346SS..Hα-helixtrans-64.5-39.1173.700000111.5E61 N62 K67 A68E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.18Å; E61-A65 PolarHBondContact O-N 3.42Å; N62-A65 PolarHBondContact O-N 3.47Å; A65-K67 VanDerWaalsContact C-N 3.3Å; A65-K67 PolarHBondContact O-N 3.05Å; A65-A68 WeakPolarHBondContact O-CB 3.43Å; A65-A68 PolarHBondContact O-N 3.27Å; A65-A68 VanDerWaalsContact O-N 3.14Å
66Y96.4Very high93.6Very high9 Ų970.3 Ų70.34%0.03534%0.344CS..Hα-helixtrans-60.3-40173.5-176.1-89.1000111.4N62 V63 L64 A68 Q69 K72 L77 T78 A81 L136 E139N62-Y66 WeakPolarHBondContact O-CB 3.35Å; N62-Y66 PolarHBondContact O-N 3.4Å; V63-Y66 WeakPolarHBondContact O-CB 3.09Å; V63-Y66 PolarHBondContact O-N 3.11Å; L64-Y66 VanDerWaalsContact C-N 3.34Å; Y66-A68 VanDerWaalsContact C-N 3.28Å; Y66-A68 PolarHBondContact O-N 2.86Å; Y66-Q69 WeakPolarHBondContact O-CB 3.44Å; Y66-Q69 PolarHBondContact O-N 3.35Å; Y66-K72 HydrophobicContact CE1-CD 4.05Å; Y66-K72 HydrophobicContact CE2-CD 3.76Å; Y66-K72 VanDerWaalsContact CZ-CD 3.41Å; Y66-K72 WeakPolarHBondContact OH-CD 3.46Å; Y66-L77 HydrophobicContact CD1-CD1 4.42Å; Y66-L77 HydrophobicContact CD1-CD2 4.2Å; Y66-L77 HydrophobicContact CD1-CG 3.9Å; Y66-L77 HydrophobicContact CD2-CD2 3.83Å; Y66-L77 HydrophobicContact CD2-CG 4.41Å; Y66-L77 HydrophobicContact CE1-CB 4.45Å; Y66-L77 HydrophobicContact CE1-CD2 3.85Å; Y66-L77 HydrophobicContact CE1-CG 3.61Å; Y66-L77 HydrophobicContact CE2-CD2 3.41Å; Y66-L77 VanDerWaalsContact CE2-CD2 3.41Å; Y66-L77 HydrophobicContact CE2-CG 4.14Å; Y66-L77 HydrophobicContact CG-CD2 4.2Å; Y66-L77 HydrophobicContact CG-CG 4.3Å; Y66-L77 VanDerWaalsContact CZ-CD2 3.43Å; Y66-T78 HydrophobicContact CE1-CG2 3.88Å; Y66-A81 HydrophobicContact CD1-CB 4.04Å; Y66-L136 HydrophobicContact CD2-CD2 4.09Å; Y66-L136 HydrophobicContact CE2-CD2 3.98Å; Y66-E139 WeakPolarHBondContact CE2-OE2 3.43Å; Y66-E139 PolarHBondContact OH-OE1 3.48Å
67K95.6Very high93.5Very high83 Ų8370.3 Ų70.336%0.36134%0.344SS..Hα-helixtrans-61.8-34.1174.8179.258.4-170.2171.20113.3V63 L64 A65 Q69 A81 D82 H85V63-K67 PolarHBondContact O-N 2.81Å; V63-K67 VanDerWaalsContact O-N 3.09Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.34Å; A65-K67 VanDerWaalsContact C-N 3.3Å; A65-K67 PolarHBondContact O-N 3.05Å; K67-Q69 PolarHBondContact O-N 2.83Å; K67-A81 HydrophobicContact CB-CB 3.99Å; K67-D82 WeakPolarHBondContact CD-OD1 3.49Å; K67-D82 WeakPolarHBondContact CE-OD1 3.36Å; K67-D82 IonicContact NZ-OD1 3.78Å; K67-D82 PolarHBondContact NZ-OD1 2.78Å; K67-H85 HydrophobicContact CG-CB 3.92Å
68A93.1Very high93.6Very high88 Ų8866.9 Ų66.973%0.72733%0.333SS*.Hα-helixtrans-73.5-13.3-17800000113.7L64 A65 Y66L64-A68 PolarHBondContact O-N 2.97Å; A65-A68 WeakPolarHBondContact O-CB 3.43Å; A65-A68 PolarHBondContact O-N 3.27Å; A65-A68 VanDerWaalsContact O-N 3.14Å; Y66-A68 VanDerWaalsContact C-N 3.28Å; Y66-A68 PolarHBondContact O-N 2.86Å
69Q90.4Very high93.6Very high102 Ų10266.3 Ų66.348%0.47733%0.33SS..SBendtrans-73.1168.5177.6-62.6172.214.600111.8Y66 K67 K72Y66-Q69 WeakPolarHBondContact O-CB 3.44Å; Y66-Q69 PolarHBondContact O-N 3.35Å; K67-Q69 PolarHBondContact O-N 2.83Å; Q69-K72 VanDerWaalsContact OE1-CE 3.22Å
70Q73.6Confident93.5Very high184 Ų18466.3 Ų66.386%0.8633%0.33SS*.SBendtrans-57.6156.1179.3-65.3-177.2900111.9K72Q70-K72 WeakPolarHBondContact O-CG 3.33Å; Q70-K72 PolarHBondContact O-N 2.81Å
71K74.6Confident93.5Very high217 Ų21765.2 Ų65.294%0.94333%0.325SS*.  trans-53.9111.3-175.9-76.9-175.1178.2179.10111.7
72K83.1Confident93.5Very high65 Ų6562.3 Ų62.328%0.28331%0.314SS..PPolyproline II helixtrans-91.6159.5173-61-173.4177-176.50110.9Y66 Q69 Q70 T78 E139Y66-K72 HydrophobicContact CE1-CD 4.05Å; Y66-K72 HydrophobicContact CE2-CD 3.76Å; Y66-K72 VanDerWaalsContact CZ-CD 3.41Å; Y66-K72 WeakPolarHBondContact OH-CD 3.46Å; Q69-K72 VanDerWaalsContact OE1-CE 3.22Å; Q70-K72 WeakPolarHBondContact O-CG 3.33Å; Q70-K72 PolarHBondContact O-N 2.81Å; K72-T78 HydrophobicContact CB-CG2 4.14Å; K72-E139 WeakPolarHBondContact CD-OE1 3.21Å; K72-E139 IonicContact NZ-OE1 3.5Å; K72-E139 IonicContact NZ-OE2 2.73Å; K72-E139 PolarHBondContact NZ-OE2 3.06Å
73K89.6Confident93.5Very high187 Ų18760.3 Ų60.381%0.81330%0.303SS*.PPolyproline II helixtrans-63.4140.7173.4-176.7-179.6177.4-174.70109.5N75K73-N75 PolarHBondContact O-N 2.78Å; K73-N75 PolarHBondContact O-ND2 3.15Å
74E93.9Very high93.5Very high116 Ų11660.4 Ų60.454%0.54230%0.303SS..PPolyproline II helixtrans-62.2125.5-179.7-169-167.3100.900112.1T78 R105E74-T78 WeakPolarHBondContact CA-OG1 3.27Å; E74-R105 PolarHBondContact O-NH1 3.28Å; E74-R105 PolarHBondContact O-NH2 2.81Å; E74-R105 IonicContact OE1-CZ 3.53Å; E74-R105 IonicContact OE1-NH1 2.75Å; E74-R105 PolarHBondContact OE1-NH1 3.21Å
75N95.9Very high93.6Very high25 Ų2561.9 Ų61.913%0.13431%0.309CS..  trans-149.3174.7175.661.940.2000110.5K73 L77 T78 C79 I135K73-N75 PolarHBondContact O-N 2.78Å; K73-N75 PolarHBondContact O-ND2 3.15Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 2.79Å; N75-L77 WeakPolarHBondContact OD1-CB 3.4Å; N75-L77 PolarHBondContact OD1-N 2.82Å; N75-L77 VanDerWaalsContact OD1-N 3.1Å; N75-T78 PolarHBondContact N-OG1 2.56Å; N75-T78 PolarHBondContact O-N 3.02Å; N75-T78 VanDerWaalsContact O-N 3.15Å; N75-T78 PolarHBondContact O-OG1 2.98Å; N75-T78 WeakPolarHBondContact OD1-CG2 3.43Å; N75-T78 PolarHBondContact OD1-N 2.88Å; N75-C79 PolarHBondContact O-N 2.8Å; N75-C79 VanDerWaalsContact O-N 3.09Å; N75-I135 HydrophobicContact CB-CD1 4.03Å
76L97.4Very high93.6Very high0 Ų061.4 Ų61.40%030%0.303CS..Hα-helixtrans-55.2-40.2-179.7-167.565.4000113.4C79 L80 F102 R105 L106 E109 Y127 L128 T131L76-C79 PolarHBondContact O-N 2.97Å; L76-L80 WeakPolarHBondContact O-CB 3.36Å; L76-L80 PolarHBondContact O-N 3.46Å; L76-F102 HydrophobicContact CD1-CD2 4.09Å; L76-F102 HydrophobicContact CD1-CE2 3.57Å; L76-F102 HydrophobicContact CD1-CZ 3.84Å; L76-F102 HydrophobicContact CG-CE2 3.95Å; L76-F102 HydrophobicContact CG-CZ 4.31Å; L76-R105 HydrophobicContact CD1-CB 4.38Å; L76-R105 HydrophobicContact CD1-CG 4.23Å; L76-L106 HydrophobicContact CD1-CB 4.16Å; L76-E109 WeakPolarHBondContact CB-OE2 3.47Å; L76-E109 PolarHBondContact N-OE1 3.47Å; L76-Y127 HydrophobicContact CD2-CE1 3.78Å; L76-L128 HydrophobicContact CD2-CD1 3.73Å; L76-L128 HydrophobicContact CG-CD1 4.15Å; L76-T131 HydrophobicContact CB-CG2 4.34Å; L76-T131 HydrophobicContact CD2-CG2 3.97Å
77L98.1Very high93.7Very high0 Ų061.2 Ų61.20%030%0.302CS..Hα-helixtrans-64.8-41.9177.4177.354.8000112.3Y66 N75 C79 L80 A81 V132 I135 L136 W170Y66-L77 HydrophobicContact CD1-CD1 4.42Å; Y66-L77 HydrophobicContact CD1-CD2 4.2Å; Y66-L77 HydrophobicContact CD1-CG 3.9Å; Y66-L77 HydrophobicContact CD2-CD2 3.83Å; Y66-L77 HydrophobicContact CD2-CG 4.41Å; Y66-L77 HydrophobicContact CE1-CB 4.45Å; Y66-L77 HydrophobicContact CE1-CD2 3.85Å; Y66-L77 HydrophobicContact CE1-CG 3.61Å; Y66-L77 HydrophobicContact CE2-CD2 3.41Å; Y66-L77 VanDerWaalsContact CE2-CD2 3.41Å; Y66-L77 HydrophobicContact CE2-CG 4.14Å; Y66-L77 HydrophobicContact CG-CD2 4.2Å; Y66-L77 HydrophobicContact CG-CG 4.3Å; Y66-L77 VanDerWaalsContact CZ-CD2 3.43Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 2.79Å; N75-L77 WeakPolarHBondContact OD1-CB 3.4Å; N75-L77 PolarHBondContact OD1-N 2.82Å; N75-L77 VanDerWaalsContact OD1-N 3.1Å; L77-C79 VanDerWaalsContact C-N 3.31Å; L77-C79 PolarHBondContact O-N 2.78Å; L77-L80 HydrophobicContact CD1-CD2 4.46Å; L77-L80 WeakPolarHBondContact O-CB 3.42Å; L77-L80 PolarHBondContact O-N 3.21Å; L77-A81 VanDerWaalsContact O-CB 3.28Å; L77-A81 WeakPolarHBondContact O-CB 3.42Å; L77-A81 PolarHBondContact O-N 3.41Å; L77-V132 HydrophobicContact CB-CG2 4.31Å; L77-V132 HydrophobicContact CD1-CG1 3.8Å; L77-V132 HydrophobicContact CD1-CG2 4.07Å; L77-V132 HydrophobicContact CD2-CG1 4.01Å; L77-V132 HydrophobicContact CG-CG1 4.37Å; L77-I135 HydrophobicContact CB-CD1 3.87Å; L77-I135 HydrophobicContact CB-CG2 4.39Å; L77-I135 HydrophobicContact CD2-CG2 4.01Å; L77-L136 HydrophobicContact CD2-CD2 3.93Å; L77-L136 HydrophobicContact CD2-CG 4.08Å; L77-W170 HydrophobicContact CD1-CH2 4.37Å; L77-W170 HydrophobicContact CD1-CZ2 4.29Å; L77-W170 HydrophobicContact CD2-CZ2 4.45Å
78T97.6Very high93.8Very high19 Ų1958.6 Ų58.612%0.11730%0.296CS..Hα-helixtrans-63.6-37.4174.559.70000112Y66 K72 E74 N75 A81 D82Y66-T78 HydrophobicContact CE1-CG2 3.88Å; K72-T78 HydrophobicContact CB-CG2 4.14Å; E74-T78 WeakPolarHBondContact CA-OG1 3.27Å; N75-T78 PolarHBondContact N-OG1 2.56Å; N75-T78 PolarHBondContact O-N 3.02Å; N75-T78 VanDerWaalsContact O-N 3.15Å; N75-T78 PolarHBondContact O-OG1 2.98Å; N75-T78 WeakPolarHBondContact OD1-CG2 3.43Å; N75-T78 PolarHBondContact OD1-N 2.88Å; T78-A81 PolarHBondContact O-N 2.79Å; T78-D82 WeakPolarHBondContact O-CB 3.37Å; T78-D82 PolarHBondContact O-N 2.83Å
79C98.2Very high93.9Very high7 Ų758.1 Ų58.15%0.04728%0.284CS..Hα-helixtrans-68-38.5175.1-690000112N75 L76 L77 L83 F102 R105N75-C79 PolarHBondContact O-N 2.8Å; N75-C79 VanDerWaalsContact O-N 3.09Å; L76-C79 PolarHBondContact O-N 2.97Å; L77-C79 VanDerWaalsContact C-N 3.31Å; L77-C79 PolarHBondContact O-N 2.78Å; C79-L83 WeakPolarHBondContact O-CB 3.36Å; C79-L83 PolarHBondContact O-N 3.04Å; C79-F102 HydrophobicContact CB-CB 4.45Å; C79-F102 HydrophobicContact CB-CD2 4.07Å; C79-R105 HydrophobicContact CB-CB 4.46Å
80L98.6Very high94.2Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-62.7-45.4173.3-177.263.5000110.8L50 F59 V63 L76 L77 L83 F84 F102 L128 V132L50-L80 HydrophobicContact CD2-CD1 3.42Å; L50-L80 VanDerWaalsContact CD2-CD1 3.42Å; F59-L80 HydrophobicContact CE1-CD2 4.06Å; F59-L80 HydrophobicContact CZ-CD2 3.88Å; V63-L80 HydrophobicContact CG1-CG 4.25Å; V63-L80 HydrophobicContact CG2-CD2 4.25Å; L76-L80 WeakPolarHBondContact O-CB 3.36Å; L76-L80 PolarHBondContact O-N 3.46Å; L77-L80 HydrophobicContact CD1-CD2 4.46Å; L77-L80 WeakPolarHBondContact O-CB 3.42Å; L77-L80 PolarHBondContact O-N 3.21Å; L80-L83 WeakPolarHBondContact O-CB 3.18Å; L80-L83 PolarHBondContact O-N 3.14Å; L80-F84 HydrophobicContact CD1-CD1 3.95Å; L80-F84 HydrophobicContact CD1-CE1 3.58Å; L80-F84 HydrophobicContact CD1-CZ 4.08Å; L80-F84 HydrophobicContact CG-CD1 4.46Å; L80-F84 HydrophobicContact CG-CE1 4.37Å; L80-F84 PolarHBondContact O-N 2.94Å; L80-F102 HydrophobicContact CB-CD2 4.18Å; L80-F102 HydrophobicContact CB-CE2 3.88Å; L80-F102 HydrophobicContact CD1-CD2 4.49Å; L80-F102 HydrophobicContact CD1-CE2 4.02Å; L80-L128 HydrophobicContact CD2-CD1 4.44Å; L80-V132 HydrophobicContact CD2-CG2 4.46Å
81A98.4Very high95.2Very high1 Ų157.4 Ų57.41%0.00828%0.278CS..Hα-helixtrans-64.9-40.5179.300000112V63 Y66 K67 L77 T78 H85V63-A81 HydrophobicContact CG1-CB 3.97Å; Y66-A81 HydrophobicContact CD1-CB 4.04Å; K67-A81 HydrophobicContact CB-CB 3.99Å; L77-A81 VanDerWaalsContact O-CB 3.28Å; L77-A81 WeakPolarHBondContact O-CB 3.42Å; L77-A81 PolarHBondContact O-N 3.41Å; T78-A81 PolarHBondContact O-N 2.79Å; A81-H85 WeakPolarHBondContact O-CB 3.42Å; A81-H85 PolarHBondContact O-N 3.32Å
82D98Very high96.2Very high55 Ų5554.3 Ų54.329%0.29426%0.264SS..Hα-helixtrans-61.4-41.7171.4-80.2-11.4000111.9K67 T78 S86K67-D82 WeakPolarHBondContact CD-OD1 3.49Å; K67-D82 WeakPolarHBondContact CE-OD1 3.36Å; K67-D82 IonicContact NZ-OD1 3.78Å; K67-D82 PolarHBondContact NZ-OD1 2.78Å; T78-D82 WeakPolarHBondContact O-CB 3.37Å; T78-D82 PolarHBondContact O-N 2.83Å; D82-S86 WeakPolarHBondContact O-CB 3.26Å; D82-S86 PolarHBondContact O-N 2.88Å
83L98.6Very high96.7Very high12 Ų1255.7 Ų55.76%0.06327%0.27CS..Hα-helixtrans-64.9-50.3177.4177.461.3000111.6L37 L50 C79 L80 H85 S86 I87 I97 P99 F102L37-L83 HydrophobicContact CD2-CD1 4.13Å; L50-L83 HydrophobicContact CD1-CD2 3.88Å; C79-L83 WeakPolarHBondContact O-CB 3.36Å; C79-L83 PolarHBondContact O-N 3.04Å; L80-L83 WeakPolarHBondContact O-CB 3.18Å; L80-L83 PolarHBondContact O-N 3.14Å; L83-H85 VanDerWaalsContact C-N 3.32Å; L83-H85 PolarHBondContact O-N 3.29Å; L83-S86 WeakPolarHBondContact O-CB 3.03Å; L83-S86 PolarHBondContact O-N 3.29Å; L83-S86 VanDerWaalsContact O-N 3.13Å; L83-I87 HydrophobicContact CD1-CD1 4.41Å; L83-I87 HydrophobicContact CG-CD1 4.33Å; L83-I87 WeakPolarHBondContact O-CG1 3.35Å; L83-I87 PolarHBondContact O-N 2.98Å; L83-I97 HydrophobicContact CD1-CG2 3.81Å; L83-P99 HydrophobicContact CD1-CB 4.17Å; L83-P99 HydrophobicContact CD2-CB 4.03Å; L83-F102 HydrophobicContact CD2-CB 4.43Å
84F98.6Very high97.1Very high1 Ų147.9 Ų47.90%0.00424%0.238CC..Hα-helixtrans-62.9-41.1-179.9-83.927.2000111.4L53 Y54 F59 R60 V63 L64 L80 I87 A88L53-F84 HydrophobicContact CB-CZ 4.29Å; Y54-F84 HydrophobicContact CD2-CB 4.26Å; Y54-F84 AromaticContact CD2-CD1 3.8Å; Y54-F84 HydrophobicContact CD2-CD1 3.8Å; Y54-F84 AromaticContact CD2-CD2 3.76Å; Y54-F84 HydrophobicContact CD2-CD2 3.76Å; Y54-F84 AromaticContact CD2-CE1 3.98Å; Y54-F84 HydrophobicContact CD2-CE1 3.98Å; Y54-F84 AromaticContact CD2-CE2 3.95Å; Y54-F84 HydrophobicContact CD2-CE2 3.95Å; Y54-F84 AromaticContact CD2-CG 3.68Å; Y54-F84 HydrophobicContact CD2-CG 3.68Å; Y54-F84 HydrophobicContact CD2-CZ 4.05Å; Y54-F84 HydrophobicContact CE2-CB 4.24Å; Y54-F84 HydrophobicContact CE2-CD2 4.37Å; Y54-F84 HydrophobicContact CE2-CG 4.16Å; Y54-F84 HydrophobicContact CG-CZ 4.46Å; F59-F84 AromaticContact CD1-CE2 3.92Å; F59-F84 HydrophobicContact CD1-CE2 3.92Å; F59-F84 HydrophobicContact CD1-CZ 4.36Å; F59-F84 AromaticContact CE1-CE2 3.93Å; F59-F84 HydrophobicContact CE1-CE2 3.93Å; F59-F84 HydrophobicContact CE1-CZ 4.1Å; R60-F84 HydrophobicContact CB-CD2 4.47Å; R60-F84 HydrophobicContact CB-CE2 4.44Å; R60-F84 HydrophobicContact CG-CD2 4.32Å; V63-F84 HydrophobicContact CB-CD2 3.85Å; V63-F84 HydrophobicContact CB-CE2 4.35Å; V63-F84 HydrophobicContact CG1-CB 3.91Å; V63-F84 HydrophobicContact CG1-CD2 3.55Å; V63-F84 HydrophobicContact CG1-CE2 4.29Å; V63-F84 HydrophobicContact CG1-CG 3.86Å; V63-F84 HydrophobicContact CG2-CD2 4.39Å; V63-F84 HydrophobicContact CG2-CE2 4.43Å; L64-F84 HydrophobicContact CD2-CB 4.19Å; L80-F84 HydrophobicContact CD1-CD1 3.95Å; L80-F84 HydrophobicContact CD1-CE1 3.58Å; L80-F84 HydrophobicContact CD1-CZ 4.08Å; L80-F84 HydrophobicContact CG-CD1 4.46Å; L80-F84 HydrophobicContact CG-CE1 4.37Å; L80-F84 PolarHBondContact O-N 2.94Å; F84-I87 PolarHBondContact O-N 2.75Å; F84-A88 WeakPolarHBondContact O-CB 3.41Å; F84-A88 PolarHBondContact O-N 3.32Å
85H98Very high97.3Very high78 Ų7843.5 Ų43.536%0.36122%0.224SC..Hα-helixtrans-64.2-41173.8-176.176.6000111.9L64 K67 A81 L83 I87 A88 T89L64-H85 HydrophobicContact CD2-CB 4.1Å; K67-H85 HydrophobicContact CG-CB 3.92Å; A81-H85 WeakPolarHBondContact O-CB 3.42Å; A81-H85 PolarHBondContact O-N 3.32Å; L83-H85 VanDerWaalsContact C-N 3.32Å; L83-H85 PolarHBondContact O-N 3.29Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 PolarHBondContact O-N 2.82Å; H85-A88 PolarHBondContact O-N 3.09Å; H85-T89 WeakPolarHBondContact O-CB 3.38Å; H85-T89 WeakPolarHBondContact O-CG2 3.39Å; H85-T89 PolarHBondContact O-N 3.47Å; H85-T89 PolarHBondContact O-OG1 3.4Å
86S97.9Very high97.4Very high41 Ų4145.6 Ų45.629%0.28724%0.237SC..Hα-helixtrans-61-35.4175.8177.30000112.5D82 L83 Q90D82-S86 WeakPolarHBondContact O-CB 3.26Å; D82-S86 PolarHBondContact O-N 2.88Å; L83-S86 WeakPolarHBondContact O-CB 3.03Å; L83-S86 PolarHBondContact O-N 3.29Å; L83-S86 VanDerWaalsContact O-N 3.13Å; S86-Q90 VanDerWaalsContact O-CG 3.23Å; S86-Q90 WeakPolarHBondContact O-CG 3.36Å; S86-Q90 PolarHBondContact O-NE2 2.94Å
87I98.1Very high97.4Very high4 Ų446.1 Ų46.12%0.02124%0.24CC..Hα-helixtrans-71.1-51.8173.9-62.1161.2000110.1H33 F35 Y54 L83 F84 H85 T89 Q90 I97H33-I87 HydrophobicContact CB-CG2 4.47Å; H33-I87 WeakPolarHBondContact CB-O 3.38Å; F35-I87 HydrophobicContact CB-CG2 4.32Å; F35-I87 HydrophobicContact CD2-CG2 4.48Å; Y54-I87 HydrophobicContact CD2-CD1 4.17Å; Y54-I87 HydrophobicContact CE1-CG2 3.95Å; Y54-I87 HydrophobicContact CE2-CB 3.99Å; Y54-I87 HydrophobicContact CE2-CD1 4.21Å; Y54-I87 HydrophobicContact CE2-CG2 3.98Å; Y54-I87 WeakPolarHBondContact OH-CG2 3.44Å; L83-I87 HydrophobicContact CD1-CD1 4.41Å; L83-I87 HydrophobicContact CG-CD1 4.33Å; L83-I87 WeakPolarHBondContact O-CG1 3.35Å; L83-I87 PolarHBondContact O-N 2.98Å; F84-I87 PolarHBondContact O-N 2.75Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 PolarHBondContact O-N 2.82Å; I87-T89 PolarHBondContact O-N 2.96Å; I87-T89 VanDerWaalsContact O-N 3.16Å; I87-Q90 PolarHBondContact O-N 3.34Å; I87-I97 HydrophobicContact CB-CD1 4.22Å; I87-I97 HydrophobicContact CG1-CD1 3.61Å
88A97.5Very high97.4Very high28 Ų2849.3 Ų49.323%0.23126%0.261CS..Hα-helixtrans-67.1-16.6-172.900000114.8H33 L64 F84 H85H33-A88 PolarHBondContact CD2-O 3.27Å; H33-A88 VanDerWaalsContact CD2-O 3.3Å; L64-A88 HydrophobicContact CD1-CB 4.23Å; L64-A88 HydrophobicContact CD2-CB 4.14Å; F84-A88 WeakPolarHBondContact O-CB 3.41Å; F84-A88 PolarHBondContact O-N 3.32Å; H85-A88 PolarHBondContact O-N 3.09Å
89T96.8Very high97.5Very high79 Ų7948.5 Ų48.549%0.48526%0.256SS..THydrogen-bonded Turntrans-112.712.2-17759.50000113.5H85 I87H85-T89 WeakPolarHBondContact O-CB 3.38Å; H85-T89 WeakPolarHBondContact O-CG2 3.39Å; H85-T89 PolarHBondContact O-N 3.47Å; H85-T89 PolarHBondContact O-OG1 3.4Å; I87-T89 PolarHBondContact O-N 2.96Å; I87-T89 VanDerWaalsContact O-N 3.16Å
90Q96.6Very high97.4Very high61 Ų6154.5 Ų54.529%0.28528%0.282SS..  trans-60.7144.9177.7-76.5-59.7-27.600112H33 F35 S86 I87 I97H33-Q90 PolarHBondContact CE1-O 2.82Å; H33-Q90 PolarHBondContact ND1-O 2.66Å; F35-Q90 HydrophobicContact CD1-CG 4.13Å; F35-Q90 HydrophobicContact CD2-CB 4.41Å; F35-Q90 HydrophobicContact CD2-CG 4.16Å; F35-Q90 HydrophobicContact CE1-CB 4.13Å; F35-Q90 HydrophobicContact CE1-CG 3.61Å; F35-Q90 HydrophobicContact CE2-CB 3.54Å; F35-Q90 HydrophobicContact CE2-CG 3.68Å; F35-Q90 HydrophobicContact CG-CG 4.4Å; F35-Q90 HydrophobicContact CZ-CB 3.38Å; F35-Q90 HydrophobicContact CZ-CG 3.38Å; S86-Q90 VanDerWaalsContact O-CG 3.23Å; S86-Q90 WeakPolarHBondContact O-CG 3.36Å; S86-Q90 PolarHBondContact O-NE2 2.94Å; I87-Q90 PolarHBondContact O-N 3.34Å; Q90-I97 HydrophobicContact CG-CD1 4.04Å
91K94.1Very high97.4Very high210 Ų21061.8 Ų61.891%0.91331%0.313SS*.SBendtrans-74.6-32.8174.1-65-174.7-179.8-1780112
92K94.6Very high97.4Very high152 Ų15261.9 Ų61.966%0.66131%0.313SS*.SBendtrans-87.4149.8177.4-63.1-177.2-178.7-177.60109.4H33 F35H33-K92 PolarHBondContact ND1-O 2.73Å; F35-K92 VanDerWaalsContact CE2-O 3.29Å; F35-K92 WeakPolarHBondContact CE2-O 3.44Å; F35-K92 HydrophobicContact CZ-CB 4.15Å; F35-K92 WeakPolarHBondContact CZ-O 3.36Å
93K95.3Very high97.4Very high93 Ų9359.6 Ų59.640%0.40430%0.301SS..SBendtrans-72.9-36.3174.6-76.1-178.8172.4-167.90112.5E20 F28 H33 Y34E20-K93 HydrophobicContact CG-CB 4.24Å; F28-K93 HydrophobicContact CD1-CD 3.88Å; F28-K93 HydrophobicContact CE1-CB 3.99Å; F28-K93 HydrophobicContact CE1-CD 3.6Å; F28-K93 HydrophobicContact CE1-CG 3.81Å; F28-K93 HydrophobicContact CE2-CB 4.25Å; F28-K93 HydrophobicContact CE2-CD 4.37Å; F28-K93 HydrophobicContact CG-CD 4.42Å; F28-K93 HydrophobicContact CZ-CB 3.58Å; F28-K93 HydrophobicContact CZ-CD 3.89Å; F28-K93 HydrophobicContact CZ-CG 3.95Å; H33-K93 CarbonylContact C-O 3.59Å; H33-K93 WeakPolarHBondContact CA-O 3.42Å; Y34-K93 PolarHBondContact N-O 2.61Å
94V97.1Very high97.3Very high23 Ų2362.8 Ų62.814%0.13932%0.324CS..EExtended strand (participates in β ladder)trans-131.7144-177-177.80000110.5S17 L19 E20 F28 Y34S17-V94 WeakPolarHBondContact OG-CB 3.35Å; L19-V94 HydrophobicContact CB-CG1 4.2Å; L19-V94 HydrophobicContact CB-CG2 4.29Å; L19-V94 HydrophobicContact CD2-CG1 3.95Å; L19-V94 HydrophobicContact CD2-CG2 3.94Å; L19-V94 HydrophobicContact CG-CG2 4.34Å; E20-V94 HydrophobicContact CG-CG2 3.74Å; F28-V94 HydrophobicContact CE2-CG2 4.25Å; Y34-V94 VanDerWaalsContact O-CA 3.27Å; Y34-V94 WeakPolarHBondContact O-CA 3.35Å
95G97.3Very high97.3Very high24 Ų2464.7 Ų64.725%0.24733%0.331CS..EExtended strand (participates in β ladder)trans175.1-153.7174.300000113.8Y34 F35 G36Y34-G95 PolarHBondContact O-N 3.34Å; F35-G95 CarbonylContact C-O 3.58Å; F35-G95 VanDerWaalsContact CA-O 3.24Å; F35-G95 WeakPolarHBondContact CA-O 3.32Å; F35-G95 VanDerWaalsContact CE1-CA 3.48Å; G36-G95 PolarHBondContact N-O 3.47Å
96V98.3Very high97.3Very high69 Ų6961 Ų6142%0.41831%0.314SS..EExtended strand (participates in β ladder)trans-136137.1-177.9-175.20000109.4G36 V38 D333G36-V96 CarbonylContact O-C 3.49Å; G36-V96 WeakPolarHBondContact O-CA 3.31Å; V38-V96 HydrophobicContact CG2-CG1 3.52Å; V96-D333 HydrophobicContact CB-CB 4.47Å; V96-D333 HydrophobicContact CG1-CB 3.61Å; V96-D333 HydrophobicContact CG2-CB 3.97Å; V96-D333 WeakPolarHBondContact CG2-O 3.39Å
97I98.4Very high97.2Very high11 Ų1160.7 Ų60.76%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-120.1133.3176.3-75.9163.5000110F35 G36 L37 V38 L83 I87 Q90 P99F35-I97 HydrophobicContact CB-CD1 4.01Å; F35-I97 HydrophobicContact CB-CG1 4.4Å; F35-I97 HydrophobicContact CD1-CD1 3.78Å; F35-I97 HydrophobicContact CD1-CG1 3.78Å; F35-I97 HydrophobicContact CG-CD1 3.94Å; F35-I97 HydrophobicContact CG-CG1 4.36Å; G36-I97 PolarHBondContact O-N 2.83Å; L37-I97 WeakPolarHBondContact CA-O 3.19Å; L37-I97 HydrophobicContact CD2-CB 4.35Å; L37-I97 HydrophobicContact CD2-CG2 4.4Å; V38-I97 PolarHBondContact N-O 3.03Å; V38-I97 VanDerWaalsContact N-O 3.12Å; L83-I97 HydrophobicContact CD1-CG2 3.81Å; I87-I97 HydrophobicContact CB-CD1 4.22Å; I87-I97 HydrophobicContact CG1-CD1 3.61Å; Q90-I97 HydrophobicContact CG-CD1 4.04Å; I97-P99 WeakPolarHBondContact O-CD 3.33Å
98P98.3Very high97.2Very high67 Ų6768.2 Ų68.244%0.43534%0.339SS..  trans-84.8110.8171.630.2-31.1000111.6V38 F40 K100V38-P98 HydrophobicContact CB-CB 4.32Å; V38-P98 HydrophobicContact CG2-CB 4Å; F40-P98 HydrophobicContact CE2-CB 4.29Å; F40-P98 HydrophobicContact CZ-CB 3.71Å; P98-K100 HydrophobicContact CB-CD 4.5Å; P98-K100 HydrophobicContact CB-CG 4.19Å; P98-K100 PolarHBondContact O-N 2.94Å
99P97.8Very high97.1Very high3 Ų369.9 Ų69.92%0.01934%0.343CS..  trans-73.937.1178.232.3-39.2000114.5L37 F40 L83 I97 K101 F102 I103L37-P99 HydrophobicContact CB-CG 4.27Å; L37-P99 HydrophobicContact CD2-CB 4.45Å; L37-P99 HydrophobicContact CD2-CG 4.37Å; F40-P99 HydrophobicContact CD2-CG 4.43Å; F40-P99 HydrophobicContact CE2-CG 4.07Å; L83-P99 HydrophobicContact CD1-CB 4.17Å; L83-P99 HydrophobicContact CD2-CB 4.03Å; I97-P99 WeakPolarHBondContact O-CD 3.33Å; P99-K101 PolarHBondContact O-N 2.88Å; P99-F102 HydrophobicContact CB-CB 4.5Å; P99-F102 PolarHBondContact O-N 2.93Å; P99-F102 VanDerWaalsContact O-N 3.14Å; P99-I103 HydrophobicContact CB-CG1 4.41Å; P99-I103 HydrophobicContact CG-CG1 4.2Å; P99-I103 WeakPolarHBondContact O-CG1 3.46Å; P99-I103 PolarHBondContact O-N 3.24Å
100K97.3Very high97Very high133 Ų13368 Ų6858%0.57833%0.329SS*.Hα-helixtrans-53.2-46.6-172.1-72.8179.4-179.4-176.30113.8F40 P98 S104F40-K100 HydrophobicContact CE1-CD 4.35Å; F40-K100 HydrophobicContact CE1-CG 3.78Å; F40-K100 HydrophobicContact CE2-CG 3.79Å; F40-K100 HydrophobicContact CZ-CB 4.46Å; F40-K100 HydrophobicContact CZ-CD 4.13Å; F40-K100 HydrophobicContact CZ-CG 3.27Å; P98-K100 HydrophobicContact CB-CD 4.5Å; P98-K100 HydrophobicContact CB-CG 4.19Å; P98-K100 PolarHBondContact O-N 2.94Å; K100-S104 VanDerWaalsContact O-CB 3.29Å; K100-S104 WeakPolarHBondContact O-CB 3.31Å; K100-S104 PolarHBondContact O-N 3.46Å
101K97.8Very high96.9Very high153 Ų15371.5 Ų71.567%0.66535%0.35SS*.Hα-helixtrans-64.9-44.2-178.9-71.9-171.8177.3-175.20111.6P99 R105P99-K101 PolarHBondContact O-N 2.88Å; K101-R105 WeakPolarHBondContact O-CB 3.33Å; K101-R105 PolarHBondContact O-N 2.93Å
102F98.4Very high96.9Very high3 Ų364.7 Ų64.71%0.01332%0.323CS..Hα-helixtrans-63.7-49.2178.3-176.7-91.4000111.2L50 L76 C79 L80 L83 P99 S104 R105 L106 F124 L128L50-F102 HydrophobicContact CD1-CD1 3.96Å; L50-F102 HydrophobicContact CD1-CE1 3.95Å; L50-F102 HydrophobicContact CD2-CE1 4.06Å; L50-F102 HydrophobicContact CD2-CE2 4.49Å; L50-F102 HydrophobicContact CD2-CZ 3.99Å; L50-F102 HydrophobicContact CG-CE1 4.42Å; L76-F102 HydrophobicContact CD1-CD2 4.09Å; L76-F102 HydrophobicContact CD1-CE2 3.57Å; L76-F102 HydrophobicContact CD1-CZ 3.84Å; L76-F102 HydrophobicContact CG-CE2 3.95Å; L76-F102 HydrophobicContact CG-CZ 4.31Å; C79-F102 HydrophobicContact CB-CB 4.45Å; C79-F102 HydrophobicContact CB-CD2 4.07Å; L80-F102 HydrophobicContact CB-CD2 4.18Å; L80-F102 HydrophobicContact CB-CE2 3.88Å; L80-F102 HydrophobicContact CD1-CD2 4.49Å; L80-F102 HydrophobicContact CD1-CE2 4.02Å; L83-F102 HydrophobicContact CD2-CB 4.43Å; P99-F102 HydrophobicContact CB-CB 4.5Å; P99-F102 PolarHBondContact O-N 2.93Å; P99-F102 VanDerWaalsContact O-N 3.14Å; F102-S104 PolarHBondContact O-N 3.41Å; F102-R105 PolarHBondContact O-N 2.68Å; F102-R105 VanDerWaalsContact O-N 3.1Å; F102-L106 HydrophobicContact CE1-CD2 4.42Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 PolarHBondContact O-N 3.36Å; F102-F124 HydrophobicContact CE1-CE2 4.18Å; F102-F124 AromaticContact CE1-CZ 3.82Å; F102-F124 HydrophobicContact CE1-CZ 3.82Å; F102-F124 HydrophobicContact CZ-CE2 4.31Å; F102-F124 AromaticContact CZ-CZ 3.98Å; F102-F124 HydrophobicContact CZ-CZ 3.98Å; F102-L128 HydrophobicContact CE2-CD1 4.33Å; F102-L128 HydrophobicContact CZ-CD1 4.01Å
103I97.9Very high96.9Very high6 Ų657.5 Ų57.53%0.03129%0.292CS..Hα-helixtrans-61.3-44.4178.3-63.5-62.4000111.6F40 T43 C46 P99 R105 L106 R107F40-I103 HydrophobicContact CD2-CG1 4.19Å; T43-I103 HydrophobicContact CG2-CD1 4.21Å; T43-I103 HydrophobicContact CG2-CG2 4.35Å; C46-I103 HydrophobicContact CB-CD1 4.17Å; C46-I103 VanDerWaalsContact SG-CD1 3.57Å; P99-I103 HydrophobicContact CB-CG1 4.41Å; P99-I103 HydrophobicContact CG-CG1 4.2Å; P99-I103 WeakPolarHBondContact O-CG1 3.46Å; P99-I103 PolarHBondContact O-N 3.24Å; I103-R105 PolarHBondContact O-N 3.09Å; I103-L106 PolarHBondContact O-N 2.99Å; I103-R107 WeakPolarHBondContact O-CG 3.44Å; I103-R107 PolarHBondContact O-N 3.16Å
104S97.8Very high96.9Very high79 Ų7957.5 Ų57.555%0.55230%0.297SS*.Hα-helixtrans-61.7-34.4176.5-176.70000112.2K100 F102 K108K100-S104 VanDerWaalsContact O-CB 3.29Å; K100-S104 WeakPolarHBondContact O-CB 3.31Å; K100-S104 PolarHBondContact O-N 3.46Å; F102-S104 PolarHBondContact O-N 3.41Å; S104-K108 WeakPolarHBondContact O-CB 3.35Å; S104-K108 PolarHBondContact O-N 3.47Å
105R97.9Very high96.7Very high41 Ų4158.7 Ų58.716%0.15530%0.302CS..Hα-helixtrans-74.4-44.5178.2-170.963.4-177.9-149.14.3111.9E74 L76 C79 K101 F102 I103 R107 K108 E109E74-R105 PolarHBondContact O-NH1 3.28Å; E74-R105 PolarHBondContact O-NH2 2.81Å; E74-R105 IonicContact OE1-CZ 3.53Å; E74-R105 IonicContact OE1-NH1 2.75Å; E74-R105 PolarHBondContact OE1-NH1 3.21Å; L76-R105 HydrophobicContact CD1-CB 4.38Å; L76-R105 HydrophobicContact CD1-CG 4.23Å; C79-R105 HydrophobicContact CB-CB 4.46Å; K101-R105 WeakPolarHBondContact O-CB 3.33Å; K101-R105 PolarHBondContact O-N 2.93Å; F102-R105 PolarHBondContact O-N 2.68Å; F102-R105 VanDerWaalsContact O-N 3.1Å; I103-R105 PolarHBondContact O-N 3.09Å; R105-R107 PolarHBondContact O-N 3.27Å; R105-K108 PolarHBondContact O-N 3.35Å; R105-K108 VanDerWaalsContact O-N 3.16Å; R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 IonicContact CZ-OE1 3.87Å; R105-E109 IonicContact NE-OE1 2.84Å; R105-E109 PolarHBondContact NE-OE1 3.36Å; R105-E109 IonicContact NH2-OE1 3.41Å; R105-E109 PolarHBondContact NH2-OE1 2.88Å; R105-E109 PolarHBondContact O-N 3.01Å
106L97.8Very high96.5Very high1 Ų165.4 Ų65.41%0.00532%0.321CS..Hα-helixtrans-54.2-52.2175.9175.162000111.2L76 F102 I103 K108 E109 N110 F113 F124 Y127L76-L106 HydrophobicContact CD1-CB 4.16Å; F102-L106 HydrophobicContact CE1-CD2 4.42Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 PolarHBondContact O-N 3.36Å; I103-L106 PolarHBondContact O-N 2.99Å; L106-K108 VanDerWaalsContact C-N 3.28Å; L106-K108 PolarHBondContact O-N 2.9Å; L106-E109 PolarHBondContact O-N 3.4Å; L106-N110 PolarHBondContact O-N 2.95Å; L106-N110 VanDerWaalsContact O-N 3.09Å; L106-F113 HydrophobicContact CD1-CB 4.41Å; L106-F113 HydrophobicContact CD1-CD2 3.64Å; L106-F113 HydrophobicContact CD1-CE2 4.27Å; L106-F113 HydrophobicContact CD1-CG 4.22Å; L106-F113 HydrophobicContact CD2-CB 4.39Å; L106-F113 HydrophobicContact CD2-CG 4.49Å; L106-F113 HydrophobicContact CG-CB 4.05Å; L106-F113 HydrophobicContact CG-CD2 4.21Å; L106-F113 HydrophobicContact CG-CG 4.31Å; L106-F124 HydrophobicContact CD1-CD2 4.15Å; L106-F124 HydrophobicContact CD1-CE2 3.88Å; L106-F124 HydrophobicContact CD2-CD2 3.97Å; L106-F124 HydrophobicContact CD2-CE2 3.61Å; L106-F124 HydrophobicContact CD2-CZ 4.47Å; L106-F124 HydrophobicContact CG-CE2 4.39Å; L106-Y127 HydrophobicContact CD1-CD1 3.93Å; L106-Y127 HydrophobicContact CD1-CE1 3.5Å
107R96.9Very high96.2Very high35 Ų3567.8 Ų67.813%0.13233%0.329CS..Hα-helixtrans-59.2-39.3177.7-71.1-171.6174.8153.91.3112.3F40 I103 R105 F113 D114 N115F40-R107 PolarHBondContact O-NH2 3.32Å; I103-R107 WeakPolarHBondContact O-CG 3.44Å; I103-R107 PolarHBondContact O-N 3.16Å; R105-R107 PolarHBondContact O-N 3.27Å; R107-F113 WeakPolarHBondContact CG-O 3.43Å; R107-D114 HydrophobicContact CB-CB 4.24Å; R107-D114 WeakPolarHBondContact O-CB 3.44Å; R107-N115 PolarHBondContact NH2-O 3.36Å
108K96.9Very high95.8Very high161 Ų16168.1 Ų68.170%0.733%0.33SS*.Hα-helixtrans-70.8-31.7179-176.5177.4177.4-178.80113.6S104 R105 L106S104-K108 WeakPolarHBondContact O-CB 3.35Å; S104-K108 PolarHBondContact O-N 3.47Å; R105-K108 PolarHBondContact O-N 3.35Å; R105-K108 VanDerWaalsContact O-N 3.16Å; L106-K108 VanDerWaalsContact C-N 3.28Å; L106-K108 PolarHBondContact O-N 2.9Å
109E95.4Very high95.6Very high64 Ų6466.2 Ų66.230%0.29932%0.316SS..Hα-helixtrans-89.7-18.3-176.3-71.9-166.2178.700113.5L76 R105 L106 Y127L76-E109 WeakPolarHBondContact CB-OE2 3.47Å; L76-E109 PolarHBondContact N-OE1 3.47Å; R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 IonicContact CZ-OE1 3.87Å; R105-E109 IonicContact NE-OE1 2.84Å; R105-E109 PolarHBondContact NE-OE1 3.36Å; R105-E109 IonicContact NH2-OE1 3.41Å; R105-E109 PolarHBondContact NH2-OE1 2.88Å; R105-E109 PolarHBondContact O-N 3.01Å; L106-E109 PolarHBondContact O-N 3.4Å; E109-Y127 WeakPolarHBondContact CB-OH 3.43Å
110N95.4Very high95.4Very high39 Ų3968 Ų6821%0.20933%0.325CS..  trans-146.8110.6179.2-174.4-15000111.9L106 L112 F113 D114 Y127L106-N110 PolarHBondContact O-N 2.95Å; L106-N110 VanDerWaalsContact O-N 3.09Å; N110-L112 PolarHBondContact O-N 3.29Å; N110-L112 VanDerWaalsContact O-N 3.13Å; N110-L112 WeakPolarHBondContact OD1-CB 3.43Å; N110-L112 PolarHBondContact OD1-N 2.96Å; N110-F113 HydrophobicContact CB-CD2 3.94Å; N110-F113 WeakPolarHBondContact ND2-CE2 3.29Å; N110-F113 PolarHBondContact O-N 3.3Å; N110-D114 PolarHBondContact O-N 3.23Å; N110-Y127 HydrophobicContact CB-CE1 4.18Å; N110-Y127 HydrophobicContact CB-CE2 3.82Å; N110-Y127 WeakPolarHBondContact ND2-CD2 3.49Å; N110-Y127 WeakPolarHBondContact ND2-CE2 3.38Å
111D94.6Very high95.4Very high134 Ų13461.7 Ų61.772%0.71730%0.298SS*.THydrogen-bonded Turntrans-56.8-27.4-179.3-64.9-15.7000113.2F113 D114D111-F113 PolarHBondContact O-N 3.08Å; D111-D114 PolarHBondContact O-N 3.29Å; D111-D114 VanDerWaalsContact O-N 3.09Å
112L93Very high95.4Very high68 Ų6855.8 Ų55.836%0.35627%0.272SS..THydrogen-bonded Turntrans-61.2-34.4176.9-172.7131.5000111.7N110 N115 Q119 E123N110-L112 PolarHBondContact O-N 3.29Å; N110-L112 VanDerWaalsContact O-N 3.13Å; N110-L112 WeakPolarHBondContact OD1-CB 3.43Å; N110-L112 PolarHBondContact OD1-N 2.96Å; L112-N115 PolarHBondContact O-ND2 3.3Å; L112-Q119 PolarHBondContact O-NE2 2.82Å; L112-E123 WeakPolarHBondContact CD1-OE1 3.39Å; L112-E123 VanDerWaalsContact CD2-CD 3.43Å; L112-E123 HydrophobicContact CD2-CG 4.26Å; L112-E123 WeakPolarHBondContact CD2-OE1 3.48Å
113F95.4Very high95.3Very high1 Ų159.5 Ų59.50%0.00429%0.29CS..THydrogen-bonded Turntrans-93.2-6.8176.5-57.2-59.4000113.1Y45 L106 R107 N110 D111 N115 Q119 E123 F124 Y127Y45-F113 AromaticContact CE2-CD1 3.88Å; Y45-F113 HydrophobicContact CE2-CD1 3.88Å; Y45-F113 HydrophobicContact CE2-CE1 4.04Å; Y45-F113 AromaticContact CZ-CD1 3.96Å; Y45-F113 WeakPolarHBondContact OH-CD1 3.47Å; L106-F113 HydrophobicContact CD1-CB 4.41Å; L106-F113 HydrophobicContact CD1-CD2 3.64Å; L106-F113 HydrophobicContact CD1-CE2 4.27Å; L106-F113 HydrophobicContact CD1-CG 4.22Å; L106-F113 HydrophobicContact CD2-CB 4.39Å; L106-F113 HydrophobicContact CD2-CG 4.49Å; L106-F113 HydrophobicContact CG-CB 4.05Å; L106-F113 HydrophobicContact CG-CD2 4.21Å; L106-F113 HydrophobicContact CG-CG 4.31Å; R107-F113 WeakPolarHBondContact CG-O 3.43Å; N110-F113 HydrophobicContact CB-CD2 3.94Å; N110-F113 WeakPolarHBondContact ND2-CE2 3.29Å; N110-F113 PolarHBondContact O-N 3.3Å; D111-F113 PolarHBondContact O-N 3.08Å; F113-N115 PolarHBondContact O-N 2.87Å; F113-Q119 HydrophobicContact CD1-CB 4.15Å; F113-Q119 HydrophobicContact CD1-CG 3.99Å; F113-Q119 HydrophobicContact CE1-CB 4.19Å; F113-Q119 HydrophobicContact CE1-CG 4.48Å; F113-E123 HydrophobicContact CZ-CG 4.22Å; F113-F124 HydrophobicContact CE1-CB 4.09Å; F113-F124 HydrophobicContact CZ-CB 4.03Å; F113-F124 HydrophobicContact CZ-CD2 4.42Å; F113-Y127 HydrophobicContact CD2-CD1 4.18Å; F113-Y127 HydrophobicContact CD2-CE1 4.41Å; F113-Y127 AromaticContact CE2-CD1 3.59Å; F113-Y127 HydrophobicContact CE2-CD1 3.59Å; F113-Y127 HydrophobicContact CE2-CE1 4.24Å; F113-Y127 AromaticContact CE2-CG 3.75Å; F113-Y127 HydrophobicContact CE2-CG 3.75Å
114D95.9Very high95.3Very high93 Ų9359.2 Ų59.250%0.49729%0.289SS..SBendtrans-79.258.4179.7-165.121.6000113.4R107 N110 D111R107-D114 HydrophobicContact CB-CB 4.24Å; R107-D114 WeakPolarHBondContact O-CB 3.44Å; N110-D114 PolarHBondContact O-N 3.23Å; D111-D114 PolarHBondContact O-N 3.29Å; D111-D114 VanDerWaalsContact O-N 3.09Å
115N92.9Very high95.3Very high48 Ų4855.5 Ų55.526%0.25726%0.262SS..SBendtrans-156.1-179174.755.473000109.9R107 L112 F113 M117 Q119R107-N115 PolarHBondContact NH2-O 3.36Å; L112-N115 PolarHBondContact O-ND2 3.3Å; F113-N115 PolarHBondContact O-N 2.87Å; N115-M117 HydrophobicContact CB-CG 4.46Å; N115-M117 VanDerWaalsContact OD1-CB 3.22Å; N115-M117 WeakPolarHBondContact OD1-CB 3.35Å; N115-M117 PolarHBondContact OD1-N 3.37Å; N115-Q119 PolarHBondContact ND2-NE2 2.6Å; N115-Q119 PolarHBondContact OD1-NE2 2.91Å
116Y92Very high95.4Very high164 Ų16456.5 Ų56.564%0.64327%0.271SS*.SBendtrans-105.419177.7-60.3-85.6000111.9N42N42-Y116 PolarHBondContact ND2-O 2.69Å
117M91.8Very high95.4Very high119 Ų11958.4 Ų58.459%0.58628%0.278SS*.SBendtrans-85.2156.5177.7-56-64.4-70.600110.3N115N115-M117 HydrophobicContact CB-CG 4.46Å; N115-M117 VanDerWaalsContact OD1-CB 3.22Å; N115-M117 WeakPolarHBondContact OD1-CB 3.35Å; N115-M117 PolarHBondContact OD1-N 3.37Å
118Q90.5Very high95.5Very high18 Ų1856.8 Ų56.88%0.08427%0.272CS..  trans-63.7142.9164.5-75.1-70.4-16.800109.3N42 C44 G315N42-Q118 HydrophobicContact CB-CG 3.95Å; N42-Q118 PolarHBondContact OD1-NE2 3.24Å; C44-Q118 PolarHBondContact SG-NE2 2.82Å; C44-Q118 VanDerWaalsContact SG-NE2 3.43Å; Q118-G315 PolarHBondContact NE2-O 3.37Å
119Q93.5Very high95.6Very high28 Ų2849.1 Ų49.113%0.13124%0.239CC..  trans-128.3162.7-178.4-58.6-66.9-11.300109.9Y45 L112 F113 N115 A121 Y317Y45-Q119 WeakPolarHBondContact CB-O 3.45Å; Y45-Q119 HydrophobicContact CD1-CB 3.77Å; Y45-Q119 HydrophobicContact CD1-CG 4.32Å; Y45-Q119 HydrophobicContact CD2-CB 3.97Å; Y45-Q119 HydrophobicContact CE1-CB 3.65Å; Y45-Q119 HydrophobicContact CE1-CG 3.75Å; Y45-Q119 HydrophobicContact CE2-CB 3.88Å; Y45-Q119 HydrophobicContact CE2-CG 4.45Å; Y45-Q119 HydrophobicContact CG-CB 3.93Å; L112-Q119 PolarHBondContact O-NE2 2.82Å; F113-Q119 HydrophobicContact CD1-CB 4.15Å; F113-Q119 HydrophobicContact CD1-CG 3.99Å; F113-Q119 HydrophobicContact CE1-CB 4.19Å; F113-Q119 HydrophobicContact CE1-CG 4.48Å; N115-Q119 PolarHBondContact ND2-NE2 2.6Å; N115-Q119 PolarHBondContact OD1-NE2 2.91Å; Q119-A121 PolarHBondContact O-N 3.47Å; Q119-Y317 WeakPolarHBondContact O-CE2 3.34Å
120D94.4Very high95.7Very high40 Ų4048.9 Ų48.921%0.21424%0.24CC..  trans-75.6123.5177.4-162.7-43.1000110.5H122 E123 F124 Y361D120-H122 PolarHBondContact O-N 2.97Å; D120-H122 VanDerWaalsContact OD1-CB 3.29Å; D120-H122 WeakPolarHBondContact OD1-CB 3.46Å; D120-H122 PolarHBondContact OD1-N 2.86Å; D120-E123 HydrophobicContact CB-CB 3.91Å; D120-E123 PolarHBondContact O-N 3.35Å; D120-F124 PolarHBondContact O-N 2.83Å; D120-Y361 VanDerWaalsContact OD1-CE1 3.26Å; D120-Y361 WeakPolarHBondContact OD1-CE1 3.36Å; D120-Y361 PolarHBondContact OD1-OH 2.86Å; D120-Y361 PolarHBondContact OD2-OH 2.83Å
121A97Very high95.8Very high0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-63.2-30.3177.600000112.2V49 Q119 L125 V305 Y317 Y361 I362V49-A121 HydrophobicContact CG2-CB 3.89Å; V49-A121 WeakPolarHBondContact CG2-O 3.33Å; Q119-A121 PolarHBondContact O-N 3.47Å; A121-L125 WeakPolarHBondContact O-CB 3.43Å; A121-L125 PolarHBondContact O-N 2.93Å; A121-V305 HydrophobicContact CB-CG1 4.15Å; A121-Y317 HydrophobicContact CB-CD1 3.79Å; A121-Y317 HydrophobicContact CB-CE1 3.46Å; A121-Y317 VanDerWaalsContact CB-CE1 3.46Å; A121-Y317 HydrophobicContact CB-CE2 4.28Å; A121-Y317 HydrophobicContact CB-CG 4.32Å; A121-Y317 PolarHBondContact N-OH 3.35Å; A121-Y361 HydrophobicContact CB-CD1 4.35Å; A121-Y361 HydrophobicContact CB-CE1 4.31Å; A121-I362 HydrophobicContact CB-CD1 4.24Å
122H97.4Very high96Very high29 Ų2941.6 Ų41.613%0.13420%0.201CC..Hα-helixtrans-71.2-41.7177.2177.6-112.8000111.3D120 F124 L125 N126 D200 S202 H257 Y361 I362D120-H122 PolarHBondContact O-N 2.97Å; D120-H122 VanDerWaalsContact OD1-CB 3.29Å; D120-H122 WeakPolarHBondContact OD1-CB 3.46Å; D120-H122 PolarHBondContact OD1-N 2.86Å; H122-F124 VanDerWaalsContact C-N 3.33Å; H122-F124 PolarHBondContact O-N 2.78Å; H122-L125 PolarHBondContact O-N 2.89Å; H122-N126 WeakPolarHBondContact O-CB 3.29Å; H122-N126 PolarHBondContact O-N 3.49Å; H122-D200 IonicContact CD2-OD2 2.75Å; H122-D200 IonicContact CE1-OD2 2.92Å; H122-D200 VanDerWaalsContact NE2-CG 3.3Å; H122-D200 IonicContact NE2-OD1 3.35Å; H122-D200 IonicContact NE2-OD2 3.32Å; H122-D200 PolarHBondContact NE2-OD2 3.15Å; H122-S202 PolarHBondContact CE1-OG 3.17Å; H122-H257 VanDerWaalsContact CD2-CB 3.42Å; H122-H257 WeakPolarHBondContact CD2-CB 3.44Å; H122-H257 AromaticContact CD2-CG 3.47Å; H122-H257 VanDerWaalsContact CD2-CG 3.47Å; H122-H257 AromaticContact CD2-ND1 3.76Å; H122-H257 AromaticContact CE1-CG 3.94Å; H122-H257 AromaticContact CE1-ND1 3.42Å; H122-H257 PolarHBondContact CE1-ND1 2.87Å; H122-H257 AromaticContact CG-CD2 3.82Å; H122-H257 AromaticContact CG-CE1 3.88Å; H122-H257 AromaticContact CG-CG 3.55Å; H122-H257 AromaticContact CG-ND1 3.61Å; H122-H257 AromaticContact ND1-CE1 3.59Å; H122-H257 AromaticContact ND1-CG 3.87Å; H122-H257 AromaticContact ND1-ND1 3.41Å; H122-H257 PolarHBondContact ND1-ND1 3.32Å; H122-H257 AromaticContact NE2-CG 3.71Å; H122-H257 AromaticContact NE2-ND1 3.62Å; H122-Y361 HydrophobicContact CB-CE1 3.95Å; H122-I362 HydrophobicContact CB-CD1 4.06Å
123E96.6Very high96.2Very high82 Ų8238.4 Ų38.438%0.38319%0.185SC..Hα-helixtrans-61.5-43.2174.3-173.5173-161.400111.2L112 F113 D120 N126 Y127L112-E123 WeakPolarHBondContact CD1-OE1 3.39Å; L112-E123 VanDerWaalsContact CD2-CD 3.43Å; L112-E123 HydrophobicContact CD2-CG 4.26Å; L112-E123 WeakPolarHBondContact CD2-OE1 3.48Å; F113-E123 HydrophobicContact CZ-CG 4.22Å; D120-E123 HydrophobicContact CB-CB 3.91Å; D120-E123 PolarHBondContact O-N 3.35Å; E123-N126 PolarHBondContact O-N 3.15Å; E123-Y127 VanDerWaalsContact O-CB 3.32Å; E123-Y127 WeakPolarHBondContact O-CB 3.27Å; E123-Y127 PolarHBondContact O-N 3.3Å
124F98.3Very high96.2Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-62.3-44.7174.1172-114.2000112.8Y45 C46 V49 L50 F102 L106 F113 D120 H122 N126 Y127 L128Y45-F124 HydrophobicContact CD2-CB 3.69Å; Y45-F124 HydrophobicContact CD2-CD1 4.32Å; Y45-F124 AromaticContact CD2-CG 4Å; Y45-F124 HydrophobicContact CD2-CG 4Å; Y45-F124 HydrophobicContact CE2-CB 3.79Å; Y45-F124 HydrophobicContact CE2-CD2 4.21Å; Y45-F124 AromaticContact CE2-CG 3.91Å; Y45-F124 HydrophobicContact CE2-CG 3.91Å; C46-F124 HydrophobicContact CB-CD1 4.31Å; C46-F124 HydrophobicContact CB-CE1 4.05Å; C46-F124 HydrophobicContact CB-CZ 4.23Å; C46-F124 WeakPolarHBondContact SG-CZ 3.38Å; V49-F124 HydrophobicContact CB-CD1 3.66Å; V49-F124 HydrophobicContact CB-CE1 3.72Å; V49-F124 HydrophobicContact CG1-CD1 3.77Å; V49-F124 HydrophobicContact CG1-CE1 3.71Å; V49-F124 HydrophobicContact CG2-CD1 3.99Å; L50-F124 HydrophobicContact CG-CE1 4.44Å; L50-F124 HydrophobicContact CG-CZ 4.49Å; F102-F124 HydrophobicContact CE1-CE2 4.18Å; F102-F124 AromaticContact CE1-CZ 3.82Å; F102-F124 HydrophobicContact CE1-CZ 3.82Å; F102-F124 HydrophobicContact CZ-CE2 4.31Å; F102-F124 AromaticContact CZ-CZ 3.98Å; F102-F124 HydrophobicContact CZ-CZ 3.98Å; L106-F124 HydrophobicContact CD1-CD2 4.15Å; L106-F124 HydrophobicContact CD1-CE2 3.88Å; L106-F124 HydrophobicContact CD2-CD2 3.97Å; L106-F124 HydrophobicContact CD2-CE2 3.61Å; L106-F124 HydrophobicContact CD2-CZ 4.47Å; L106-F124 HydrophobicContact CG-CE2 4.39Å; F113-F124 HydrophobicContact CE1-CB 4.09Å; F113-F124 HydrophobicContact CZ-CB 4.03Å; F113-F124 HydrophobicContact CZ-CD2 4.42Å; D120-F124 PolarHBondContact O-N 2.83Å; H122-F124 VanDerWaalsContact C-N 3.33Å; H122-F124 PolarHBondContact O-N 2.78Å; F124-N126 PolarHBondContact O-N 2.89Å; F124-Y127 PolarHBondContact O-N 2.86Å; F124-L128 HydrophobicContact CE1-CD2 4.24Å; F124-L128 HydrophobicContact CE2-CB 4.32Å; F124-L128 HydrophobicContact CZ-CB 4.42Å; F124-L128 HydrophobicContact CZ-CD2 3.86Å; F124-L128 VanDerWaalsContact O-CB 3.27Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 PolarHBondContact O-N 3.26Å
125L98.7Very high96.2Very high0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-58-49.8176.8173.364.2000111.2V49 L53 A121 H122 L128 L129 I362 F364V49-L125 HydrophobicContact CG1-CB 4Å; V49-L125 HydrophobicContact CG1-CD1 3.86Å; V49-L125 HydrophobicContact CG2-CB 4.44Å; L53-L125 HydrophobicContact CD1-CD1 4.16Å; L53-L125 HydrophobicContact CD2-CD1 4.1Å; L53-L125 HydrophobicContact CG-CD1 4.35Å; A121-L125 WeakPolarHBondContact O-CB 3.43Å; A121-L125 PolarHBondContact O-N 2.93Å; H122-L125 PolarHBondContact O-N 2.89Å; L125-L128 PolarHBondContact O-N 2.97Å; L125-L129 HydrophobicContact CD1-CD1 3.81Å; L125-L129 HydrophobicContact CD1-CG 3.96Å; L125-L129 HydrophobicContact CG-CD1 4.21Å; L125-L129 WeakPolarHBondContact O-CG 3.22Å; L125-L129 PolarHBondContact O-N 3.37Å; L125-I362 HydrophobicContact CD2-CD1 4.11Å; L125-I362 HydrophobicContact CD2-CG2 3.92Å; L125-F364 HydrophobicContact CD1-CE1 4.32Å; L125-F364 HydrophobicContact CD1-CZ 4.03Å; L125-F364 HydrophobicContact CD2-CE1 4.33Å; L125-F364 HydrophobicContact CD2-CZ 3.78Å
126N98.3Very high96.3Very high62 Ų6238 Ų3833%0.33218%0.182SC..Hα-helixtrans-63.6-45.3-178.4-170-81.3000111.2H122 E123 F124 L128 N130 D200H122-N126 WeakPolarHBondContact O-CB 3.29Å; H122-N126 PolarHBondContact O-N 3.49Å; E123-N126 PolarHBondContact O-N 3.15Å; F124-N126 PolarHBondContact O-N 2.89Å; N126-L128 PolarHBondContact O-N 2.95Å; N126-N130 WeakPolarHBondContact O-CB 3.41Å; N126-N130 PolarHBondContact O-N 2.94Å; N126-N130 VanDerWaalsContact O-N 3.1Å; N126-N130 PolarHBondContact O-ND2 3.2Å; N126-N130 PolarHBondContact OD1-ND2 3.4Å; N126-D200 PolarHBondContact ND2-OD1 2.83Å; N126-D200 VanDerWaalsContact ND2-OD1 3.12Å
127Y98.6Very high96.5Very high42 Ų4231.5 Ų31.517%0.16516%0.158CC..Hα-helixtrans-58.5-47.3174.4170.4-102.2000112L76 L106 E109 N110 F113 E123 F124 T131L76-Y127 HydrophobicContact CD2-CE1 3.78Å; L106-Y127 HydrophobicContact CD1-CD1 3.93Å; L106-Y127 HydrophobicContact CD1-CE1 3.5Å; E109-Y127 WeakPolarHBondContact CB-OH 3.43Å; N110-Y127 HydrophobicContact CB-CE1 4.18Å; N110-Y127 HydrophobicContact CB-CE2 3.82Å; N110-Y127 WeakPolarHBondContact ND2-CD2 3.49Å; N110-Y127 WeakPolarHBondContact ND2-CE2 3.38Å; F113-Y127 HydrophobicContact CD2-CD1 4.18Å; F113-Y127 HydrophobicContact CD2-CE1 4.41Å; F113-Y127 AromaticContact CE2-CD1 3.59Å; F113-Y127 HydrophobicContact CE2-CD1 3.59Å; F113-Y127 HydrophobicContact CE2-CE1 4.24Å; F113-Y127 AromaticContact CE2-CG 3.75Å; F113-Y127 HydrophobicContact CE2-CG 3.75Å; E123-Y127 VanDerWaalsContact O-CB 3.32Å; E123-Y127 WeakPolarHBondContact O-CB 3.27Å; E123-Y127 PolarHBondContact O-N 3.3Å; F124-Y127 PolarHBondContact O-N 2.86Å; Y127-T131 VanDerWaalsContact CE2-OG1 3.3Å; Y127-T131 WeakPolarHBondContact CE2-OG1 3.48Å; Y127-T131 VanDerWaalsContact O-CB 3.24Å; Y127-T131 WeakPolarHBondContact O-CB 3.31Å; Y127-T131 PolarHBondContact O-N 2.9Å; Y127-T131 PolarHBondContact O-OG1 3.23Å
128L98.8Very high96.5Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-63-49.3-177.7178.961000111.6L50 L53 L76 L80 F102 F124 L125 N126 T131 V132L50-L128 HydrophobicContact CD2-CD2 4.35Å; L53-L128 HydrophobicContact CD1-CD2 3.59Å; L76-L128 HydrophobicContact CD2-CD1 3.73Å; L76-L128 HydrophobicContact CG-CD1 4.15Å; L80-L128 HydrophobicContact CD2-CD1 4.44Å; F102-L128 HydrophobicContact CE2-CD1 4.33Å; F102-L128 HydrophobicContact CZ-CD1 4.01Å; F124-L128 HydrophobicContact CE1-CD2 4.24Å; F124-L128 HydrophobicContact CE2-CB 4.32Å; F124-L128 HydrophobicContact CZ-CB 4.42Å; F124-L128 HydrophobicContact CZ-CD2 3.86Å; F124-L128 VanDerWaalsContact O-CB 3.27Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 PolarHBondContact O-N 3.26Å; L125-L128 PolarHBondContact O-N 2.97Å; N126-L128 PolarHBondContact O-N 2.95Å; L128-T131 PolarHBondContact O-N 2.84Å; L128-V132 HydrophobicContact CD1-CG2 4.13Å; L128-V132 WeakPolarHBondContact O-CB 3.41Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.38Å
129L98.5Very high96.5Very high1 Ų130.6 Ų30.61%0.00515%0.152CC..Hα-helixtrans-63.9-44.7-178.4-67.8-178.5000111.9L53 F59 L125 V132 A133 V171 F175 L199L53-L129 HydrophobicContact CD2-CD2 4.33Å; F59-L129 HydrophobicContact CE2-CD2 4Å; F59-L129 HydrophobicContact CZ-CD2 4.44Å; L125-L129 HydrophobicContact CD1-CD1 3.81Å; L125-L129 HydrophobicContact CD1-CG 3.96Å; L125-L129 HydrophobicContact CG-CD1 4.21Å; L125-L129 WeakPolarHBondContact O-CG 3.22Å; L125-L129 PolarHBondContact O-N 3.37Å; L129-V132 PolarHBondContact O-N 2.89Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 3.35Å; L129-V171 HydrophobicContact CB-CG1 4.35Å; L129-V171 HydrophobicContact CD2-CG1 4.39Å; L129-F175 HydrophobicContact CD1-CD1 4.42Å; L129-F175 HydrophobicContact CD1-CD2 4.19Å; L129-F175 HydrophobicContact CD1-CG 4.14Å; L129-F175 HydrophobicContact CD2-CD2 3.94Å; L129-F175 HydrophobicContact CD2-CE2 3.81Å; L129-F175 HydrophobicContact CD2-CZ 4.47Å; L129-L199 HydrophobicContact CB-CD1 3.98Å; L129-L199 HydrophobicContact CD1-CB 4.39Å
130N97.9Very high96.3Very high59 Ų5932.9 Ų32.932%0.31616%0.162SC..Hα-helixtrans-64.2-44.3176.6-75.8-60.3000111.8N126 V132 A133 D134N126-N130 WeakPolarHBondContact O-CB 3.41Å; N126-N130 PolarHBondContact O-N 2.94Å; N126-N130 VanDerWaalsContact O-N 3.1Å; N126-N130 PolarHBondContact O-ND2 3.2Å; N126-N130 PolarHBondContact OD1-ND2 3.4Å; N130-V132 VanDerWaalsContact C-N 3.32Å; N130-V132 PolarHBondContact O-N 3.3Å; N130-A133 WeakPolarHBondContact O-CB 3.45Å; N130-A133 PolarHBondContact O-N 3.1Å; N130-A133 VanDerWaalsContact O-N 3.12Å; N130-D134 VanDerWaalsContact O-CG 3.31Å; N130-D134 PolarHBondContact O-N 3.38Å
131T98.2Very high96.1Very high20 Ų2035.5 Ų35.512%0.12317%0.171CC..Hα-helixtrans-60.5-42.3177.4-58.30000111.7L76 Y127 L128 D134 I135L76-T131 HydrophobicContact CB-CG2 4.34Å; L76-T131 HydrophobicContact CD2-CG2 3.97Å; Y127-T131 VanDerWaalsContact CE2-OG1 3.3Å; Y127-T131 WeakPolarHBondContact CE2-OG1 3.48Å; Y127-T131 VanDerWaalsContact O-CB 3.24Å; Y127-T131 WeakPolarHBondContact O-CB 3.31Å; Y127-T131 PolarHBondContact O-N 2.9Å; Y127-T131 PolarHBondContact O-OG1 3.23Å; L128-T131 PolarHBondContact O-N 2.84Å; T131-D134 PolarHBondContact O-N 3.22Å; T131-I135 HydrophobicContact CG2-CD1 4.02Å; T131-I135 WeakPolarHBondContact O-CD1 3.23Å; T131-I135 VanDerWaalsContact O-CG1 3.23Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 2.92Å
132V98.1Very high95.6Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-64.7-42.7175.6172.50000110.8L77 L80 L128 L129 N130 I135 L136 W170 V171L77-V132 HydrophobicContact CB-CG2 4.31Å; L77-V132 HydrophobicContact CD1-CG1 3.8Å; L77-V132 HydrophobicContact CD1-CG2 4.07Å; L77-V132 HydrophobicContact CD2-CG1 4.01Å; L77-V132 HydrophobicContact CG-CG1 4.37Å; L80-V132 HydrophobicContact CD2-CG2 4.46Å; L128-V132 HydrophobicContact CD1-CG2 4.13Å; L128-V132 WeakPolarHBondContact O-CB 3.41Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.38Å; L129-V132 PolarHBondContact O-N 2.89Å; N130-V132 VanDerWaalsContact C-N 3.32Å; N130-V132 PolarHBondContact O-N 3.3Å; V132-I135 PolarHBondContact O-N 2.95Å; V132-L136 HydrophobicContact CG1-CD1 3.97Å; V132-L136 WeakPolarHBondContact O-CD1 3.38Å; V132-L136 WeakPolarHBondContact O-CG 3.4Å; V132-L136 PolarHBondContact O-N 2.89Å; V132-L136 VanDerWaalsContact O-N 3.16Å; V132-W170 HydrophobicContact CG1-CH2 3.57Å; V132-W170 HydrophobicContact CG1-CZ2 3.92Å; V132-W170 HydrophobicContact CG1-CZ3 4.35Å; V132-V171 HydrophobicContact CB-CG2 4.16Å; V132-V171 HydrophobicContact CG1-CG2 3.47Å; V132-V171 VanDerWaalsContact CG1-CG2 3.47Å
133A97.4Very high95Very high1 Ų144.4 Ų44.41%0.00821%0.213CC..Hα-helixtrans-60.1-46.1176.300000112.1L129 N130 L136 Q137 V171L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 3.35Å; N130-A133 WeakPolarHBondContact O-CB 3.45Å; N130-A133 PolarHBondContact O-N 3.1Å; N130-A133 VanDerWaalsContact O-N 3.12Å; A133-L136 PolarHBondContact O-N 3.14Å; A133-Q137 WeakPolarHBondContact O-CG 3.22Å; A133-Q137 PolarHBondContact O-N 3.42Å; A133-V171 HydrophobicContact CB-CB 4.26Å; A133-V171 HydrophobicContact CB-CG1 4.28Å
134D96.3Very high94.4Very high94 Ų9445.4 Ų45.450%0.50322%0.216SC..Hα-helixtrans-62.6-44.4179.4-71.5-19.1000112N130 T131 L136 Q137 E138N130-D134 VanDerWaalsContact O-CG 3.31Å; N130-D134 PolarHBondContact O-N 3.38Å; T131-D134 PolarHBondContact O-N 3.22Å; D134-L136 VanDerWaalsContact C-N 3.3Å; D134-L136 PolarHBondContact O-N 3.34Å; D134-Q137 PolarHBondContact O-N 2.85Å; D134-E138 WeakPolarHBondContact O-CB 3.19Å; D134-E138 PolarHBondContact O-N 3.46Å
135I95.8Very high93.5Very high26 Ų2651.1 Ų51.113%0.13324%0.242CC..Hα-helixtrans-56.5-46.2175.4-71.1164.1000110.5N75 L77 T131 V132 E138 E139N75-I135 HydrophobicContact CB-CD1 4.03Å; L77-I135 HydrophobicContact CB-CD1 3.87Å; L77-I135 HydrophobicContact CB-CG2 4.39Å; L77-I135 HydrophobicContact CD2-CG2 4.01Å; T131-I135 HydrophobicContact CG2-CD1 4.02Å; T131-I135 WeakPolarHBondContact O-CD1 3.23Å; T131-I135 VanDerWaalsContact O-CG1 3.23Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 2.92Å; V132-I135 PolarHBondContact O-N 2.95Å; I135-E138 PolarHBondContact O-N 2.84Å; I135-E139 WeakPolarHBondContact O-CG 3.34Å; I135-E139 PolarHBondContact O-N 3.24Å
136L95.3Very high92.4Very high13 Ų1355.7 Ų55.77%0.06827%0.267CS..Hα-helixtrans-69.1-37.5-178.8-66.8164.8000112.6Y66 L77 V132 A133 D134 K140 T169 W170 V171Y66-L136 HydrophobicContact CD2-CD2 4.09Å; Y66-L136 HydrophobicContact CE2-CD2 3.98Å; L77-L136 HydrophobicContact CD2-CD2 3.93Å; L77-L136 HydrophobicContact CD2-CG 4.08Å; V132-L136 HydrophobicContact CG1-CD1 3.97Å; V132-L136 WeakPolarHBondContact O-CD1 3.38Å; V132-L136 WeakPolarHBondContact O-CG 3.4Å; V132-L136 PolarHBondContact O-N 2.89Å; V132-L136 VanDerWaalsContact O-N 3.16Å; A133-L136 PolarHBondContact O-N 3.14Å; D134-L136 VanDerWaalsContact C-N 3.3Å; D134-L136 PolarHBondContact O-N 3.34Å; L136-K140 WeakPolarHBondContact O-CG 3.36Å; L136-K140 PolarHBondContact O-N 3.36Å; L136-K140 VanDerWaalsContact O-N 3.09Å; L136-T169 HydrophobicContact CB-CG2 3.67Å; L136-W170 HydrophobicContact CD1-CD2 3.89Å; L136-W170 HydrophobicContact CD1-CG 4.26Å; L136-W170 HydrophobicContact CD1-CH2 4.31Å; L136-W170 HydrophobicContact CD1-CZ2 3.53Å; L136-W170 VanDerWaalsContact CD1-NE1 3.29Å; L136-W170 HydrophobicContact CD2-CZ2 4.2Å; L136-W170 VanDerWaalsContact CD2-NE1 3.3Å; L136-W170 HydrophobicContact CG-CZ2 4.37Å; L136-V171 HydrophobicContact CD1-CG2 3.86Å
137Q94.4Very high90.9Very high27 Ų2754.5 Ų54.513%0.12627%0.27CS..Hα-helixtrans-65.1-42.2175.2-73.4-179.94.500111.2A133 D134 K140 K141 T169 H172A133-Q137 WeakPolarHBondContact O-CG 3.22Å; A133-Q137 PolarHBondContact O-N 3.42Å; D134-Q137 PolarHBondContact O-N 2.85Å; Q137-K140 PolarHBondContact O-N 3.4Å; Q137-K141 WeakPolarHBondContact O-CG 3.49Å; Q137-K141 PolarHBondContact O-N 3.09Å; Q137-T169 HydrophobicContact CG-CG2 3.54Å; Q137-H172 PolarHBondContact NE2-CE1 3.36Å; Q137-H172 VanDerWaalsContact NE2-CE1 3.34Å
138E92.6Very high89.2Confident87 Ų8762 Ų6241%0.40730%0.297SS..Hα-helixtrans-64.8-42.2177.9-175.553.5-146.700111.5D134 I135 K140 K141 Q142D134-E138 WeakPolarHBondContact O-CB 3.19Å; D134-E138 PolarHBondContact O-N 3.46Å; I135-E138 PolarHBondContact O-N 2.84Å; E138-K140 PolarHBondContact O-N 3.3Å; E138-K141 PolarHBondContact O-N 2.61Å; E138-Q142 WeakPolarHBondContact O-CG 3.35Å; E138-Q142 PolarHBondContact O-N 2.99Å; E138-Q142 PolarHBondContact OE1-NE2 3.12Å
139E91Very high87.2Confident32 Ų3267.8 Ų67.815%0.1533%0.328CS..Hα-helixtrans-59-46.1173.5-74.1177.2-173.700112.1Y66 K72 I135 K141 Q142 E143Y66-E139 WeakPolarHBondContact CE2-OE2 3.43Å; Y66-E139 PolarHBondContact OH-OE1 3.48Å; K72-E139 WeakPolarHBondContact CD-OE1 3.21Å; K72-E139 IonicContact NZ-OE1 3.5Å; K72-E139 IonicContact NZ-OE2 2.73Å; K72-E139 PolarHBondContact NZ-OE2 3.06Å; I135-E139 WeakPolarHBondContact O-CG 3.34Å; I135-E139 PolarHBondContact O-N 3.24Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 3.37Å; E139-Q142 PolarHBondContact O-N 3.16Å; E139-E143 WeakPolarHBondContact O-CG 3.2Å; E139-E143 PolarHBondContact O-N 3.35Å
140K89.4Confident85.1Confident75 Ų7576.4 Ų76.433%0.32637%0.365SS..Hα-helixtrans-60.5-40.2175.9-76.3-175.6176.1-166.90112.6L136 Q137 E138 E143 K144 P168L136-K140 WeakPolarHBondContact O-CG 3.36Å; L136-K140 PolarHBondContact O-N 3.36Å; L136-K140 VanDerWaalsContact O-N 3.09Å; Q137-K140 PolarHBondContact O-N 3.4Å; E138-K140 PolarHBondContact O-N 3.3Å; K140-E143 PolarHBondContact O-N 3.16Å; K140-K144 WeakPolarHBondContact O-CG 3.43Å; K140-K144 PolarHBondContact O-N 3.45Å; K140-K144 VanDerWaalsContact O-N 3.09Å; K140-P168 PolarHBondContact NZ-O 3.37Å
141K89.4Confident82.9Confident96 Ų9680.2 Ų80.242%0.41739%0.385SS..Hα-helixtrans-62.5-44.4176.1-73.4172.6-174.4171.20110.9Q137 E138 E139 K144 Q145Q137-K141 WeakPolarHBondContact O-CG 3.49Å; Q137-K141 PolarHBondContact O-N 3.09Å; E138-K141 PolarHBondContact O-N 2.61Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 3.37Å; K141-K144 PolarHBondContact O-N 2.95Å; K141-Q145 WeakPolarHBondContact O-CG 3.18Å; K141-Q145 PolarHBondContact O-N 3Å
142Q86.9Confident80.5Confident91 Ų9186.5 Ų86.543%0.42542%0.419SS..Hα-helixtrans-65.5-40.7178.4-69.6174.916.700112.2E138 E139 K144 Q145 N146E138-Q142 WeakPolarHBondContact O-CG 3.35Å; E138-Q142 PolarHBondContact O-N 2.99Å; E138-Q142 PolarHBondContact OE1-NE2 3.12Å; E139-Q142 PolarHBondContact O-N 3.16Å; Q142-K144 PolarHBondContact O-N 3.29Å; Q142-Q145 PolarHBondContact O-N 3.04Å; Q142-N146 WeakPolarHBondContact O-CB 3.18Å; Q142-N146 VanDerWaalsContact O-CG 3.24Å; Q142-N146 PolarHBondContact O-N 2.95Å; Q142-N146 PolarHBondContact O-ND2 3.29Å
143E84.6Confident78.1Confident125 Ų12589.2 Ų89.258%0.58445%0.447SS*.Hα-helixtrans-61.4-43.4175.5-74.3176.617400112.2E139 K140 N146 G147E139-E143 WeakPolarHBondContact O-CG 3.2Å; E139-E143 PolarHBondContact O-N 3.35Å; K140-E143 PolarHBondContact O-N 3.16Å; E143-N146 PolarHBondContact O-N 2.85Å; E143-G147 PolarHBondContact O-N 2.86Å
144K84Confident75.7Confident103 Ų10396.1 Ų96.145%0.44849%0.488SS..Hα-helixtrans-63.7-42.3175.7-75.4176.7170.3-176.50112.7K140 K141 Q142 G147 R148 E167K140-K144 WeakPolarHBondContact O-CG 3.43Å; K140-K144 PolarHBondContact O-N 3.45Å; K140-K144 VanDerWaalsContact O-N 3.09Å; K141-K144 PolarHBondContact O-N 2.95Å; Q142-K144 PolarHBondContact O-N 3.29Å; K144-G147 PolarHBondContact O-N 2.85Å; K144-R148 WeakPolarHBondContact O-CG 3.42Å; K144-R148 PolarHBondContact O-N 2.81Å; K144-E167 WeakPolarHBondContact CE-OE2 3.28Å; K144-E167 IonicContact NZ-OE1 3.35Å; K144-E167 PolarHBondContact NZ-OE1 3.26Å; K144-E167 IonicContact NZ-OE2 3.71Å; K144-E167 PolarHBondContact NZ-OE2 3.06Å
145Q78.8Confident73.1Confident119 Ų11995.9 Ų95.956%0.55650%0.5SS*.Hα-helixtrans-64.6-45.3176.8-71.5175.725.700111.3K141 Q142 G147 R148 L149K141-Q145 WeakPolarHBondContact O-CG 3.18Å; K141-Q145 PolarHBondContact O-N 3Å; Q142-Q145 PolarHBondContact O-N 3.04Å; Q145-G147 VanDerWaalsContact C-N 3.34Å; Q145-G147 PolarHBondContact O-N 3.39Å; Q145-R148 PolarHBondContact O-N 2.81Å; Q145-L149 PolarHBondContact O-N 3.38Å; Q145-L149 VanDerWaalsContact O-N 3.11Å
146N76Confident70.8Confident97 Ų97101.9 Ų101.952%0.51954%0.537SS..Hα-helixtrans-67.1-33.3177.5-71.3-22.3000112.8Q142 E143 K150Q142-N146 WeakPolarHBondContact O-CB 3.18Å; Q142-N146 VanDerWaalsContact O-CG 3.24Å; Q142-N146 PolarHBondContact O-N 2.95Å; Q142-N146 PolarHBondContact O-ND2 3.29Å; E143-N146 PolarHBondContact O-N 2.85Å; N146-K150 PolarHBondContact O-N 2.89Å
147G67.2Low68.3Low37 Ų37106.4 Ų106.438%0.38157%0.566SS.*Hα-helixtrans-68.4-39.7173.600000113E143 K144 Q145 K150 N151E143-G147 PolarHBondContact O-N 2.86Å; K144-G147 PolarHBondContact O-N 2.85Å; Q145-G147 VanDerWaalsContact C-N 3.34Å; Q145-G147 PolarHBondContact O-N 3.39Å; G147-K150 PolarHBondContact O-N 2.87Å; G147-N151 PolarHBondContact O-N 2.83Å
148R62.1Low66Low198 Ų198110.8 Ų110.875%0.74760%0.599SS**Hα-helixtrans-64-39.6173.8-76.1178.8176.6-173-2.3112.2K144 Q145 K150 N151K144-R148 WeakPolarHBondContact O-CG 3.42Å; K144-R148 PolarHBondContact O-N 2.81Å; Q145-R148 PolarHBondContact O-N 2.81Å; R148-K150 VanDerWaalsContact C-N 3.26Å; R148-K150 PolarHBondContact O-N 2.83Å; R148-N151 PolarHBondContact O-N 2.95Å
149L56.7Low63.6Low122 Ų122114.1 Ų114.164%0.63962%0.615SS**Hα-helixtrans-65.3-24.6176.9-76159.8000113.7Q145Q145-L149 PolarHBondContact O-N 3.38Å; Q145-L149 VanDerWaalsContact O-N 3.11Å
150K55.1Low61.3Low183 Ų183116.9 Ų116.980%0.79664%0.643SS**Hα-helixtrans-82-20.6175.7-73.4-178.8179179.70113.9N146 G147 R148N146-K150 PolarHBondContact O-N 2.89Å; G147-K150 PolarHBondContact O-N 2.87Å; R148-K150 VanDerWaalsContact C-N 3.26Å; R148-K150 PolarHBondContact O-N 2.83Å
151N51.3Low58.9Low138 Ų138122.7 Ų122.774%0.73867%0.671SS**  trans-10240.2179.9-85.71.8000112.8G147 R148 G153G147-N151 PolarHBondContact O-N 2.83Å; R148-N151 PolarHBondContact O-N 2.95Å; N151-G153 PolarHBondContact O-N 2.89Å
152N48.4Very low56.5Low153 Ų153126 Ų12682%0.81869%0.69SS**  trans-8173.5168.1-93.1-6.4000111.1
153G47Very low54.3Low57 Ų57129 Ų12959%0.58871%0.705SS**SBendtrans-142.386.7158.700000107.8N151N151-G153 PolarHBondContact O-N 2.89Å
154T46.9Very low52.4Low145 Ų145131.2 Ų131.289%0.8972%0.72SS**SBendtrans59.199.3168.345.90000118.4
155A42.3Very low51Low90 Ų90134.3 Ų134.374%0.74473%0.734SS**  179.3115.512100000110.2
156V48.4Very low50.6Low151 Ų151132.5 Ų132.592%0.91573%0.731SS**  trans-80.5108.5161.6175.80000106.2
157T41.3Very low50.7Low109 Ų109132 Ų13267%0.66973%0.726SS**  trans-131.1125.7159.546.90000109.8E159T157-E159 PolarHBondContact O-N 3.41Å
158S47.2Very low51.8Low118 Ų118133.9 Ų133.983%0.82573%0.731SS**  trans-58.5108.2172.645.40000111.5
159E41.7Very low53.4Low157 Ų157124.5 Ų124.573%0.73470%0.696SS**  trans-130.362162.9-70.3-178.8179.700108.2T157T157-E159 PolarHBondContact O-N 3.41Å
160A42.6Very low55.4Low91 Ų91120.6 Ų120.675%0.75267%0.672SS**  trans-81.2133.1151.800000105.7
161E38.2Very low57.4Low196 Ų196111.9 Ų111.992%0.91664%0.635SS**  trans98.735.3-179.4-51.1179.4-177.100117.8
162M39.9Very low59.6Low165 Ų165106.4 Ų106.481%0.81361%0.605SS**SBendtrans-91118140.6-101176.176.100107.1N164M162-N164 PolarHBondContact O-N 3.38Å
163E41.7Very low61.9Low156 Ų156103.6 Ų103.673%0.72959%0.59SS**  trans-39.1133.2171.6-70.5177.8150.400110.5K165E163-K165 PolarHBondContact O-N 3.46Å
164N43.9Very low64.4Low171 Ų171101.1 Ų101.191%0.91456%0.563SS**  trans-60.259.6174-88.7-33.8000112M162 T166M162-N164 PolarHBondContact O-N 3.38Å; N164-T166 PolarHBondContact O-N 3.21Å
165K55.2Low66.8Low167 Ų16794.2 Ų94.273%0.72652%0.52SS*.  trans-77.9103.2165.9-77.7-175.6180172.60106.9E163 E167E163-K165 PolarHBondContact O-N 3.46Å; K165-E167 PolarHBondContact O-N 2.84Å
166T69.1Low69.4Low81 Ų8191.4 Ų91.450%0.49749%0.492SS..PPolyproline II helixtrans-48.4124.7167.123.30000108.8N164N164-T166 PolarHBondContact O-N 3.21Å
167E79.6Confident71.6Confident88 Ų8884.2 Ų84.241%0.41145%0.448SS..PPolyproline II helixtrans-66.2140.4179.9-79.6-176.2165.600110.9K144 K165K144-E167 WeakPolarHBondContact CE-OE2 3.28Å; K144-E167 IonicContact NZ-OE1 3.35Å; K144-E167 PolarHBondContact NZ-OE1 3.26Å; K144-E167 IonicContact NZ-OE2 3.71Å; K144-E167 PolarHBondContact NZ-OE2 3.06Å; K165-E167 PolarHBondContact O-N 2.84Å
168P89.1Confident74Confident76 Ų7679.8 Ų79.849%0.49442%0.421SS..PPolyproline II helixtrans-63.3151.4178.526.4-33.4000110.8K140 H172K140-P168 PolarHBondContact NZ-O 3.37Å; P168-H172 HydrophobicContact CB-CB 4.2Å
169T96.4Very high76.2Confident1 Ų174.7 Ų74.71%0.00639%0.385CS..  trans-116.1169176.674.50000108.8L136 Q137 V171 H172 D173L136-T169 HydrophobicContact CB-CG2 3.67Å; Q137-T169 HydrophobicContact CG-CG2 3.54Å; T169-V171 PolarHBondContact O-N 3.22Å; T169-V171 VanDerWaalsContact O-N 3.09Å; T169-V171 PolarHBondContact OG1-N 3.42Å; T169-H172 PolarHBondContact N-ND1 2.86Å; T169-H172 WeakPolarHBondContact O-CA 3.41Å; T169-H172 WeakPolarHBondContact O-CB 3.31Å; T169-H172 PolarHBondContact O-N 3.41Å; T169-H172 PolarHBondContact OG1-CE1 3.45Å; T169-H172 PolarHBondContact OG1-ND1 2.73Å; T169-D173 PolarHBondContact O-N 3.29Å
170W97.6Very high78.5Confident39 Ų3967.8 Ų67.815%0.14835%0.353CS..Hα-helixtrans-61.7-20.5176.857-105.9000113F59 N62 V63 L77 V132 L136 D173 I174F59-W170 HydrophobicContact CD2-CH2 4.41Å; F59-W170 AromaticContact CD2-CZ3 3.63Å; F59-W170 HydrophobicContact CD2-CZ3 3.63Å; F59-W170 HydrophobicContact CE2-CH2 4.02Å; F59-W170 AromaticContact CE2-CZ3 3.6Å; F59-W170 HydrophobicContact CE2-CZ3 3.6Å; N62-W170 HydrophobicContact CB-CD2 3.71Å; N62-W170 HydrophobicContact CB-CE3 3.64Å; N62-W170 HydrophobicContact CB-CG 4.16Å; N62-W170 HydrophobicContact CB-CH2 4.46Å; N62-W170 HydrophobicContact CB-CZ2 4.49Å; N62-W170 HydrophobicContact CB-CZ3 4.05Å; V63-W170 HydrophobicContact CG2-CH2 3.86Å; V63-W170 HydrophobicContact CG2-CZ3 4.44Å; L77-W170 HydrophobicContact CD1-CH2 4.37Å; L77-W170 HydrophobicContact CD1-CZ2 4.29Å; L77-W170 HydrophobicContact CD2-CZ2 4.45Å; V132-W170 HydrophobicContact CG1-CH2 3.57Å; V132-W170 HydrophobicContact CG1-CZ2 3.92Å; V132-W170 HydrophobicContact CG1-CZ3 4.35Å; L136-W170 HydrophobicContact CD1-CD2 3.89Å; L136-W170 HydrophobicContact CD1-CG 4.26Å; L136-W170 HydrophobicContact CD1-CH2 4.31Å; L136-W170 HydrophobicContact CD1-CZ2 3.53Å; L136-W170 VanDerWaalsContact CD1-NE1 3.29Å; L136-W170 HydrophobicContact CD2-CZ2 4.2Å; L136-W170 VanDerWaalsContact CD2-NE1 3.3Å; L136-W170 HydrophobicContact CG-CZ2 4.37Å; W170-D173 WeakPolarHBondContact CA-OD2 3.36Å; W170-D173 PolarHBondContact O-N 3.42Å; W170-I174 HydrophobicContact CE3-CD1 3.99Å; W170-I174 WeakPolarHBondContact O-CD1 3.22Å; W170-I174 WeakPolarHBondContact O-CG1 3.4Å; W170-I174 PolarHBondContact O-N 3.18Å; W170-I174 VanDerWaalsContact O-N 3.14Å
171V98.1Very high80.8Confident0 Ų064.7 Ų64.70%032%0.324CS..Hα-helixtrans-64.3-45169.61770000110.3L129 V132 A133 L136 T169 D173 I174 F175L129-V171 HydrophobicContact CB-CG1 4.35Å; L129-V171 HydrophobicContact CD2-CG1 4.39Å; V132-V171 HydrophobicContact CB-CG2 4.16Å; V132-V171 HydrophobicContact CG1-CG2 3.47Å; V132-V171 VanDerWaalsContact CG1-CG2 3.47Å; A133-V171 HydrophobicContact CB-CB 4.26Å; A133-V171 HydrophobicContact CB-CG1 4.28Å; L136-V171 HydrophobicContact CD1-CG2 3.86Å; T169-V171 PolarHBondContact O-N 3.22Å; T169-V171 VanDerWaalsContact O-N 3.09Å; T169-V171 PolarHBondContact OG1-N 3.42Å; V171-D173 VanDerWaalsContact C-N 3.35Å; V171-I174 PolarHBondContact O-N 2.92Å; V171-F175 HydrophobicContact CG1-CD2 4.45Å; V171-F175 PolarHBondContact O-N 3.45Å
172H97.6Very high83.4Confident24 Ų2456.7 Ų56.711%0.11129%0.287CS..Hα-helixtrans-67.6-37.4177.5-54.595.6000111.1Q137 P168 T169 I174 Q176Q137-H172 PolarHBondContact NE2-CE1 3.36Å; Q137-H172 VanDerWaalsContact NE2-CE1 3.34Å; P168-H172 HydrophobicContact CB-CB 4.2Å; T169-H172 PolarHBondContact N-ND1 2.86Å; T169-H172 WeakPolarHBondContact O-CA 3.41Å; T169-H172 WeakPolarHBondContact O-CB 3.31Å; T169-H172 PolarHBondContact O-N 3.41Å; T169-H172 PolarHBondContact OG1-CE1 3.45Å; T169-H172 PolarHBondContact OG1-ND1 2.73Å; H172-I174 PolarHBondContact O-N 2.75Å; H172-Q176 HydrophobicContact CB-CB 3.94Å; H172-Q176 PolarHBondContact CD2-OE1 2.9Å; H172-Q176 WeakPolarHBondContact O-CA 3.48Å; H172-Q176 WeakPolarHBondContact O-CB 3.25Å; H172-Q176 PolarHBondContact O-N 3.12Å
173D96.9Very high86Confident94 Ų9449.3 Ų49.350%0.50325%0.251SS..Hα-helixtrans-62.4-32.5176-60.6-32.1000112.3T169 W170 V171T169-D173 PolarHBondContact O-N 3.29Å; W170-D173 WeakPolarHBondContact CA-OD2 3.36Å; W170-D173 PolarHBondContact O-N 3.42Å; V171-D173 VanDerWaalsContact C-N 3.35Å
174I98.2Very high88.6Confident4 Ų446.3 Ų46.32%0.02123%0.233CC..Hα-helixtrans-84.9-54.2-179.4-64166.7000111.6P58 F59 W170 V171 H172 M252 I253P58-I174 HydrophobicContact CB-CD1 4.08Å; P58-I174 HydrophobicContact CB-CG1 4.07Å; F59-I174 HydrophobicContact CB-CD1 4.22Å; F59-I174 HydrophobicContact CD2-CD1 4.47Å; W170-I174 HydrophobicContact CE3-CD1 3.99Å; W170-I174 WeakPolarHBondContact O-CD1 3.22Å; W170-I174 WeakPolarHBondContact O-CG1 3.4Å; W170-I174 PolarHBondContact O-N 3.18Å; W170-I174 VanDerWaalsContact O-N 3.14Å; V171-I174 PolarHBondContact O-N 2.92Å; H172-I174 PolarHBondContact O-N 2.75Å; I174-M252 WeakPolarHBondContact O-CB 3.35Å; I174-M252 PolarHBondContact O-N 3.48Å; I174-I253 HydrophobicContact CG2-CB 4Å; I174-I253 HydrophobicContact CG2-CD1 3.59Å; I174-I253 HydrophobicContact CG2-CG1 3.76Å; I174-I253 PolarHBondContact O-N 2.67Å
175F98.3Very high91.2Very high0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-105.8-15.1-167-68.2-76.1000114.4L53 F59 L129 V171 G177 L199 P251 I253 F364L53-F175 HydrophobicContact CD2-CE1 4.46Å; L53-F175 HydrophobicContact CD2-CE2 4.28Å; L53-F175 HydrophobicContact CD2-CZ 3.68Å; F59-F175 HydrophobicContact CB-CE2 4.25Å; F59-F175 HydrophobicContact CB-CZ 4.43Å; F59-F175 AromaticContact CD2-CE2 3.6Å; F59-F175 HydrophobicContact CD2-CE2 3.6Å; F59-F175 HydrophobicContact CD2-CZ 4.39Å; F59-F175 HydrophobicContact CE2-CE2 4.21Å; F59-F175 HydrophobicContact CG-CE2 4.13Å; L129-F175 HydrophobicContact CD1-CD1 4.42Å; L129-F175 HydrophobicContact CD1-CD2 4.19Å; L129-F175 HydrophobicContact CD1-CG 4.14Å; L129-F175 HydrophobicContact CD2-CD2 3.94Å; L129-F175 HydrophobicContact CD2-CE2 3.81Å; L129-F175 HydrophobicContact CD2-CZ 4.47Å; V171-F175 HydrophobicContact CG1-CD2 4.45Å; V171-F175 PolarHBondContact O-N 3.45Å; F175-G177 PolarHBondContact O-N 3.13Å; F175-L199 HydrophobicContact CB-CB 4.4Å; F175-L199 HydrophobicContact CB-CD2 4.18Å; F175-P251 VanDerWaalsContact O-CB 3.27Å; F175-P251 WeakPolarHBondContact O-CB 3.32Å; F175-I253 HydrophobicContact CD1-CB 3.98Å; F175-I253 HydrophobicContact CD1-CG2 4.04Å; F175-I253 HydrophobicContact CE1-CB 3.79Å; F175-I253 HydrophobicContact CE1-CD1 4.45Å; F175-I253 HydrophobicContact CE1-CG2 3.52Å; F175-I253 HydrophobicContact CZ-CD1 4.39Å; F175-I253 HydrophobicContact CZ-CG2 4.37Å; F175-F364 HydrophobicContact CE1-CD1 4.19Å; F175-F364 HydrophobicContact CE1-CE1 4.15Å
176Q97.2Very high93.1Very high31 Ų3133.5 Ų33.515%0.14517%0.172CC..  trans-78.6118.4-174.1-169.1-176.6-51.500112.4H172 D197 F198 L199H172-Q176 HydrophobicContact CB-CB 3.94Å; H172-Q176 PolarHBondContact CD2-OE1 2.9Å; H172-Q176 WeakPolarHBondContact O-CA 3.48Å; H172-Q176 WeakPolarHBondContact O-CB 3.25Å; H172-Q176 PolarHBondContact O-N 3.12Å; Q176-D197 HydrophobicContact CG-CB 4Å; Q176-D197 PolarHBondContact NE2-OD1 3.27Å; Q176-D197 PolarHBondContact NE2-OD2 2.67Å; Q176-D197 VanDerWaalsContact NE2-OD2 3.11Å; Q176-F198 CarbonylContact C-O 3.57Å; Q176-F198 VanDerWaalsContact CA-O 3.26Å; Q176-F198 WeakPolarHBondContact CA-O 3.42Å; Q176-L199 HydrophobicContact CB-CD2 4.03Å
177G93.9Very high94.5Very high0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-106.2175.8159.800000111.4F175 D197 F198 K249F175-G177 PolarHBondContact O-N 3.13Å; G177-D197 WeakPolarHBondContact O-CA 3.38Å; G177-F198 VanDerWaalsContact C-CD1 3.44Å; G177-F198 PolarHBondContact N-O 2.89Å; G177-F198 WeakPolarHBondContact O-CD1 3.46Å; G177-F198 PolarHBondContact O-N 2.69Å; G177-K249 CarbonylContact C-O 3.46Å; G177-K249 WeakPolarHBondContact CA-O 3.43Å
178T92.8Very high95.3Very high17 Ų1732.7 Ų32.710%0.10417%0.171CC..EExtended strand (participates in β ladder)trans-132.4130.6176.2-49.30000109.2D195 D197 K248 K249T178-D195 HydrophobicContact CG2-CB 4.01Å; T178-D197 WeakPolarHBondContact CB-OD1 3.33Å; T178-D197 PolarHBondContact OG1-OD1 3.44Å; T178-K248 WeakPolarHBondContact O-CA 3.47Å; T178-K248 WeakPolarHBondContact O-CB 3.49Å; T178-K248 PolarHBondContact O-N 3Å; T178-K249 PolarHBondContact N-O 3.09Å; T178-K249 PolarHBondContact O-N 3.26Å
179L91.6Very high95.6Very high10 Ų1034.9 Ų34.95%0.05217%0.174CC..EExtended strand (participates in β ladder)trans-102.3147.9170.9-59.1173.1000109.6D195 E196 F198 L201 F218 M245 R246 V247L179-D195 CarbonylContact O-C 3.54Å; L179-D195 VanDerWaalsContact O-CA 3.26Å; L179-D195 WeakPolarHBondContact O-CA 3.48Å; L179-E196 PolarHBondContact N-O 2.92Å; L179-E196 PolarHBondContact O-N 3.3Å; L179-F198 HydrophobicContact CD1-CD1 4.04Å; L179-F198 HydrophobicContact CD1-CE1 4.39Å; L179-F198 HydrophobicContact CD2-CD1 4.16Å; L179-F198 HydrophobicContact CD2-CE1 3.69Å; L179-F198 HydrophobicContact CD2-CZ 4.45Å; L179-F198 HydrophobicContact CG-CD1 3.58Å; L179-F198 HydrophobicContact CG-CE1 3.63Å; L179-L201 HydrophobicContact CD1-CD1 3.84Å; L179-L201 HydrophobicContact CD2-CD1 4.38Å; L179-F218 HydrophobicContact CD1-CE1 3.93Å; L179-F218 HydrophobicContact CD1-CZ 3.73Å; L179-F218 HydrophobicContact CD2-CE1 3.92Å; L179-M245 HydrophobicContact CB-CE 4.5Å; L179-M245 HydrophobicContact CD1-CE 3.64Å; L179-R246 CarbonylContact C-O 3.58Å; L179-R246 WeakPolarHBondContact CA-O 3.3Å; L179-V247 HydrophobicContact CD2-CB 4.32Å; L179-V247 HydrophobicContact CD2-CG2 3.81Å
180T91.3Very high95.6Very high13 Ų1337.6 Ų37.68%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-108112.2165.5-56.90000108.1E182 D195 R246 K248T180-E182 HydrophobicContact CG2-CG 3.91Å; T180-D195 WeakPolarHBondContact CB-OD1 3.44Å; T180-D195 WeakPolarHBondContact CG2-OD1 3.43Å; T180-D195 PolarHBondContact OG1-OD1 2.84Å; T180-R246 PolarHBondContact N-O 2.88Å; T180-R246 PolarHBondContact O-N 2.87Å; T180-K248 WeakPolarHBondContact OG1-CD 3.49Å
181N91.4Very high95.5Very high26 Ų2639.4 Ų39.414%0.13921%0.206CC..EExtended strand (participates in β ladder)trans-87.3114.1172-178.326.2000108.8S193 K194 K243N181-S193 WeakPolarHBondContact O-CA 3.49Å; N181-K194 PolarHBondContact N-O 2.94Å; N181-K194 PolarHBondContact O-N 3.45Å; N181-K243 WeakPolarHBondContact OD1-CE 3.28Å; N181-K243 WeakPolarHBondContact OD1-CG 3.27Å
182E92.1Very high95.3Very high27 Ų2741.7 Ų41.713%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-108.3129.5178.3-58.5-178.6-158.700109.9T180 S192 K243 R244 R246T180-E182 HydrophobicContact CG2-CG 3.91Å; E182-S192 CarbonylContact C-O 3.54Å; E182-S192 VanDerWaalsContact CA-O 3.31Å; E182-S192 WeakPolarHBondContact CA-O 3.42Å; E182-K243 CarbonylContact O-C 3.58Å; E182-K243 WeakPolarHBondContact O-CA 3.27Å; E182-R244 HydrophobicContact CB-CG 3.92Å; E182-R244 PolarHBondContact N-O 3.13Å; E182-R244 PolarHBondContact O-N 3.39Å; E182-R244 IonicContact OE1-NE 3.54Å; E182-R244 IonicContact OE1-NH2 3.09Å; E182-R244 IonicContact OE2-CZ 3.92Å; E182-R244 IonicContact OE2-NE 2.64Å; E182-R244 PolarHBondContact OE2-NE 3.43Å; E182-R244 IonicContact OE2-NH2 2.97Å; E182-R244 PolarHBondContact OE2-NH2 2.68Å; E182-R246 VanDerWaalsContact OE1-CD 3.27Å; E182-R246 WeakPolarHBondContact OE1-CD 3.4Å; E182-R246 IonicContact OE1-CZ 2.8Å; E182-R246 IonicContact OE1-NH1 2.66Å; E182-R246 PolarHBondContact OE1-NH1 3.18Å
183T94.8Very high95.1Very high10 Ų1044.2 Ų44.26%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-124118.4175.3-57.50000109.9V191 S192 Y230 A241 Q242T183-V191 CarbonylContact O-C 3.44Å; T183-V191 WeakPolarHBondContact O-CA 3.43Å; T183-S192 PolarHBondContact N-O 3.12Å; T183-S192 PolarHBondContact O-N 2.93Å; T183-S192 PolarHBondContact O-OG 3.46Å; T183-Y230 HydrophobicContact CG2-CD1 3.84Å; T183-Y230 HydrophobicContact CG2-CD2 4.17Å; T183-Y230 HydrophobicContact CG2-CE1 4.01Å; T183-Y230 HydrophobicContact CG2-CE2 4.36Å; T183-Y230 HydrophobicContact CG2-CG 3.93Å; T183-A241 HydrophobicContact CG2-CB 3.87Å; T183-Q242 CarbonylContact C-O 3.59Å; T183-Q242 WeakPolarHBondContact CA-O 3.46Å
184R96.3Very high94.8Very high94 Ų9445.6 Ų45.636%0.35524%0.244SC..EExtended strand (participates in β ladder)trans-103.8117.6175-179.2178.5-175.6-1532.2109.9L186 E189 V191 A241 Q242R184-L186 PolarHBondContact O-N 2.98Å; R184-E189 IonicContact CZ-OE2 2.95Å; R184-E189 IonicContact NH2-OE2 3.16Å; R184-E189 PolarHBondContact NH2-OE2 2.87Å; R184-V191 HydrophobicContact CB-CG2 4.02Å; R184-V191 HydrophobicContact CG-CG2 3.9Å; R184-A241 CarbonylContact O-C 3.55Å; R184-A241 WeakPolarHBondContact O-CA 3.38Å; R184-A241 WeakPolarHBondContact O-CB 3.34Å; R184-Q242 HydrophobicContact CB-CB 4.36Å; R184-Q242 PolarHBondContact N-O 2.95Å; R184-Q242 PolarHBondContact O-N 2.96Å
185C97.1Very high94.6Very high1 Ų149 Ų491%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-65.9129.4171.1-178.90000110N187 C188 E189 T190 C232C185-N187 VanDerWaalsContact C-N 3.31Å; C185-C188 PolarHBondContact SG-SG 3.41Å; C185-E189 WeakPolarHBondContact O-CA 3.34Å; C185-E189 PolarHBondContact O-N 3.5Å; C185-T190 PolarHBondContact N-O 3.47Å; C185-C232 HydrophobicContact CB-CB 4.34Å
186L96.8Very high94.3Very high67 Ų6752.4 Ų52.435%0.35128%0.278SS..THydrogen-bonded Turntrans-81.9-9179.4-65.9-178.3000113.6R184 T223 E240 Q242R184-L186 PolarHBondContact O-N 2.98Å; L186-T223 HydrophobicContact CD1-CG2 4.18Å; L186-E240 HydrophobicContact CB-CB 4.34Å; L186-E240 WeakPolarHBondContact CB-O 3.4Å; L186-E240 HydrophobicContact CD1-CB 4.12Å; L186-E240 PolarHBondContact N-O 3.16Å; L186-Q242 HydrophobicContact CD1-CG 4.34Å; L186-Q242 HydrophobicContact CD2-CB 4.49Å; L186-Q242 HydrophobicContact CD2-CG 3.89Å; L186-Q242 HydrophobicContact CG-CG 4.39Å
187N96.6Very high94.2Very high107 Ų10755.6 Ų55.657%0.57230%0.296SS*.THydrogen-bonded Turntrans-91.4-47.6177.7-174.565.9000113.1C185 C235 Q239C185-N187 VanDerWaalsContact C-N 3.31Å; N187-C235 PolarHBondContact ND2-SG 2.92Å; N187-Q239 HydrophobicContact CB-CB 4.45Å; N187-Q239 HydrophobicContact CB-CG 4.16Å
188C96.6Very high94.3Very high46 Ų4656.7 Ų56.731%0.31130%0.301SS..THydrogen-bonded Turntrans-110.3-1.8-17865.70000114.2C185 T190 C232 C235C185-C188 PolarHBondContact SG-SG 3.41Å; C188-T190 PolarHBondContact O-N 2.95Å; C188-T190 PolarHBondContact SG-OG1 2.71Å; C188-C232 VanDerWaalsContact SG-SG 3.6Å; C188-C235 VanDerWaalsContact CB-SG 3.58Å; C188-C235 PolarHBondContact SG-SG 3.31Å
189E96.8Very high94.5Very high122 Ų12256.6 Ų56.657%0.5730%0.3SS*.  trans62.92-177.9-53.3-163.2-164.700116.6R184 C185 V191R184-E189 IonicContact CZ-OE2 2.95Å; R184-E189 IonicContact NH2-OE2 3.16Å; R184-E189 PolarHBondContact NH2-OE2 2.87Å; C185-E189 WeakPolarHBondContact O-CA 3.34Å; C185-E189 PolarHBondContact O-N 3.5Å; E189-V191 PolarHBondContact O-N 2.93Å
190T96.4Very high94.8Very high57 Ų5757 Ų5735%0.3530%0.302SS..PPolyproline II helixtrans-55.2127.8171.8-55.80000110.2C185 C188 T234C185-T190 PolarHBondContact N-O 3.47Å; C188-T190 PolarHBondContact O-N 2.95Å; C188-T190 PolarHBondContact SG-OG1 2.71Å; T190-T234 PolarHBondContact OG1-OG1 2.9Å
191V95.2Very high95Very high78 Ų7856.7 Ų56.747%0.47330%0.3SS..EExtended strand (participates in β ladder)trans-103.3125.3173.6-176.60000108.8T183 R184 E189T183-V191 CarbonylContact O-C 3.44Å; T183-V191 WeakPolarHBondContact O-CA 3.43Å; R184-V191 HydrophobicContact CB-CG2 4.02Å; R184-V191 HydrophobicContact CG-CG2 3.9Å; E189-V191 PolarHBondContact O-N 2.93Å
192S93.4Very high95.2Very high47 Ų4757 Ų5733%0.32930%0.304SS..EExtended strand (participates in β ladder)trans-103.1143165.964.20000109.6E182 T183E182-S192 CarbonylContact C-O 3.54Å; E182-S192 VanDerWaalsContact CA-O 3.31Å; E182-S192 WeakPolarHBondContact CA-O 3.42Å; T183-S192 PolarHBondContact N-O 3.12Å; T183-S192 PolarHBondContact O-N 2.93Å; T183-S192 PolarHBondContact O-OG 3.46Å
193S92.5Very high95.2Very high78 Ų7855.7 Ų55.755%0.54530%0.298SS..EExtended strand (participates in β ladder)trans-133130.7176.9-56.20000108.7N181N181-S193 WeakPolarHBondContact O-CA 3.49Å
194K92.1Very high95.1Very high123 Ų12360.2 Ų60.254%0.53532%0.321SS..EExtended strand (participates in β ladder)trans-133.8128178.6-173.8-173.1173.6-152.50109.1N181 E196N181-K194 PolarHBondContact N-O 2.94Å; N181-K194 PolarHBondContact O-N 3.45Å; K194-E196 HydrophobicContact CD-CG 4.35Å; K194-E196 WeakPolarHBondContact CE-OE1 3.34Å; K194-E196 HydrophobicContact CG-CG 4.39Å; K194-E196 IonicContact NZ-OE1 3.99Å; K194-E196 PolarHBondContact NZ-OE1 3.41Å
195D92.9Very high95Very high75 Ų7556.3 Ų56.340%0.40131%0.308SS..EExtended strand (participates in β ladder)trans-84.5135.6173-70.7-18.9000110.1T178 L179 T180 K248T178-D195 HydrophobicContact CG2-CB 4.01Å; L179-D195 CarbonylContact O-C 3.54Å; L179-D195 VanDerWaalsContact O-CA 3.26Å; L179-D195 WeakPolarHBondContact O-CA 3.48Å; T180-D195 WeakPolarHBondContact CB-OD1 3.44Å; T180-D195 WeakPolarHBondContact CG2-OD1 3.43Å; T180-D195 PolarHBondContact OG1-OD1 2.84Å; D195-K248 IonicContact OD1-NZ 2.75Å; D195-K248 IonicContact OD2-NZ 3.85Å; D195-K248 PolarHBondContact OD2-NZ 2.88Å
196E92.5Very high94.8Very high71 Ų7162.3 Ų62.333%0.33234%0.336SS..EExtended strand (participates in β ladder)trans-133.6125.5177.7-63.9-173.9161.800109.4L179 K194L179-E196 PolarHBondContact N-O 2.92Å; L179-E196 PolarHBondContact O-N 3.3Å; K194-E196 HydrophobicContact CD-CG 4.35Å; K194-E196 WeakPolarHBondContact CE-OE1 3.34Å; K194-E196 HydrophobicContact CG-CG 4.39Å; K194-E196 IonicContact NZ-OE1 3.99Å; K194-E196 PolarHBondContact NZ-OE1 3.41Å
197D94.8Very high94.7Very high99 Ų9962.3 Ų62.353%0.52933%0.334SS..EExtended strand (participates in β ladder)trans-79.9151176.3-70.4-43.5000111Q176 G177 T178Q176-D197 HydrophobicContact CG-CB 4Å; Q176-D197 PolarHBondContact NE2-OD1 3.27Å; Q176-D197 PolarHBondContact NE2-OD2 2.67Å; Q176-D197 VanDerWaalsContact NE2-OD2 3.11Å; G177-D197 WeakPolarHBondContact O-CA 3.38Å; T178-D197 WeakPolarHBondContact CB-OD1 3.33Å; T178-D197 PolarHBondContact OG1-OD1 3.44Å
198F95.7Very high94.6Very high23 Ų2361.3 Ų61.310%0.10133%0.329CS..EExtended strand (participates in β ladder)trans-142.5148.8177.568.3-88.2000111.2Q176 G177 L179 D200 L201 P251 L254Q176-F198 CarbonylContact C-O 3.57Å; Q176-F198 VanDerWaalsContact CA-O 3.26Å; Q176-F198 WeakPolarHBondContact CA-O 3.42Å; G177-F198 VanDerWaalsContact C-CD1 3.44Å; G177-F198 PolarHBondContact N-O 2.89Å; G177-F198 WeakPolarHBondContact O-CD1 3.46Å; G177-F198 PolarHBondContact O-N 2.69Å; L179-F198 HydrophobicContact CD1-CD1 4.04Å; L179-F198 HydrophobicContact CD1-CE1 4.39Å; L179-F198 HydrophobicContact CD2-CD1 4.16Å; L179-F198 HydrophobicContact CD2-CE1 3.69Å; L179-F198 HydrophobicContact CD2-CZ 4.45Å; L179-F198 HydrophobicContact CG-CD1 3.58Å; L179-F198 HydrophobicContact CG-CE1 3.63Å; F198-D200 WeakPolarHBondContact CD2-O 3.36Å; F198-L201 HydrophobicContact CD2-CB 4.47Å; F198-L201 HydrophobicContact CE2-CB 4.3Å; F198-P251 HydrophobicContact CE2-CG 4.39Å; F198-L254 HydrophobicContact CE2-CD1 4.08Å
199L97.8Very high94.6Very high15 Ų1559.7 Ų59.78%0.07932%0.318CS..SBendtrans-100.3-19.1170.9-60.3-179.9000112.6L129 F175 Q176L129-L199 HydrophobicContact CB-CD1 3.98Å; L129-L199 HydrophobicContact CD1-CB 4.39Å; F175-L199 HydrophobicContact CB-CB 4.4Å; F175-L199 HydrophobicContact CB-CD2 4.18Å; Q176-L199 HydrophobicContact CB-CD2 4.03Å
200D97.6Very high94.6Very high17 Ų1755.6 Ų55.69%0.09130%0.302CS..SBendtrans-145.7156174.473-92.9000109.7H122 N126 F198 S202 A255H122-D200 IonicContact CD2-OD2 2.75Å; H122-D200 IonicContact CE1-OD2 2.92Å; H122-D200 VanDerWaalsContact NE2-CG 3.3Å; H122-D200 IonicContact NE2-OD1 3.35Å; H122-D200 IonicContact NE2-OD2 3.32Å; H122-D200 PolarHBondContact NE2-OD2 3.15Å; N126-D200 PolarHBondContact ND2-OD1 2.83Å; N126-D200 VanDerWaalsContact ND2-OD1 3.12Å; F198-D200 WeakPolarHBondContact CD2-O 3.36Å; D200-S202 PolarHBondContact OD2-OG 3.1Å; D200-A255 CarbonylContact C-O 3.57Å; D200-A255 WeakPolarHBondContact CA-O 3.38Å; D200-A255 HydrophobicContact CB-CB 3.94Å
201L95Very high94.5Very high8 Ų852.9 Ų52.94%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-114.1113.2176-16669.4000109.9L179 F198 V203 L215 F218 A255 L256 H257L179-L201 HydrophobicContact CD1-CD1 3.84Å; L179-L201 HydrophobicContact CD2-CD1 4.38Å; F198-L201 HydrophobicContact CD2-CB 4.47Å; F198-L201 HydrophobicContact CE2-CB 4.3Å; L201-V203 HydrophobicContact CD2-CG1 4.2Å; L201-V203 HydrophobicContact CG-CG1 4.22Å; L201-L215 HydrophobicContact CD2-CD2 3.47Å; L201-L215 VanDerWaalsContact CD2-CD2 3.47Å; L201-F218 HydrophobicContact CD1-CD1 4.5Å; L201-F218 HydrophobicContact CD1-CE1 3.81Å; L201-F218 HydrophobicContact CD1-CE2 3.84Å; L201-F218 HydrophobicContact CD1-CZ 3.45Å; L201-F218 VanDerWaalsContact CD1-CZ 3.45Å; L201-F218 HydrophobicContact CD2-CD1 4.34Å; L201-F218 HydrophobicContact CD2-CE1 4.4Å; L201-F218 HydrophobicContact CG-CE2 4.35Å; L201-F218 HydrophobicContact CG-CZ 4.34Å; L201-A255 PolarHBondContact N-O 2.77Å; L201-L256 HydrophobicContact CB-CD2 3.81Å; L201-L256 HydrophobicContact CD2-CD2 4.17Å; L201-L256 WeakPolarHBondContact O-CA 3.43Å; L201-H257 PolarHBondContact O-N 3.27Å
202S95.4Very high94.3Very high31 Ų3152 Ų5222%0.21728%0.281CS..EExtended strand (participates in β ladder)trans-87.6111.5176-67.40000110.5H122 D200 H257 K259H122-S202 PolarHBondContact CE1-OG 3.17Å; D200-S202 PolarHBondContact OD2-OG 3.1Å; S202-H257 CarbonylContact C-O 3.6Å; S202-H257 WeakPolarHBondContact CA-O 3.36Å; S202-H257 PolarHBondContact OG-ND1 3.15Å; S202-K259 WeakPolarHBondContact O-CE 3.36Å
203V93.6Very high94.2Very high1 Ų153.6 Ų53.61%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-105.3139.3-177.5-61.80000111.9L201 C214 L215 H257 L258 K259L201-V203 HydrophobicContact CD2-CG1 4.2Å; L201-V203 HydrophobicContact CG-CG1 4.22Å; V203-C214 HydrophobicContact CB-CB 4.25Å; V203-C214 HydrophobicContact CG2-CB 4.24Å; V203-L215 HydrophobicContact CG1-CD2 3.86Å; V203-H257 PolarHBondContact N-O 2.84Å; V203-L258 HydrophobicContact CG2-CD2 3.47Å; V203-L258 VanDerWaalsContact CG2-CD2 3.47Å; V203-K259 WeakPolarHBondContact O-CB 3.47Å; V203-K259 WeakPolarHBondContact O-CG 3.23Å; V203-K259 PolarHBondContact O-N 3.45Å
204D92.4Very high94.1Very high104 Ų10450.2 Ų50.256%0.55626%0.259SS*.  trans-71.9144.8172.1-66.2-75.4000110.3C214 K259D204-C214 PolarHBondContact O-SG 3Å; D204-C214 VanDerWaalsContact O-SG 3.38Å; D204-K259 VanDerWaalsContact OD1-CD 3.22Å; D204-K259 WeakPolarHBondContact OD1-CD 3.43Å; D204-K259 IonicContact OD1-NZ 2.78Å; D204-K259 PolarHBondContact OD1-NZ 3.41Å; D204-K259 IonicContact OD2-NZ 3.75Å; D204-K259 PolarHBondContact OD2-NZ 3.15Å
205V93.5Very high93.9Very high12 Ų1245.3 Ų45.37%0.07324%0.238CC..  trans-121.8140-174.9-650000111.6L258 R260 L273 Y275 V277V205-L258 HydrophobicContact CG1-CB 3.92Å; V205-L258 HydrophobicContact CG1-CD2 4.41Å; V205-R260 HydrophobicContact CG2-CG 4.22Å; V205-L273 HydrophobicContact CG2-CB 4.45Å; V205-L273 HydrophobicContact CG2-CD1 4.05Å; V205-Y275 HydrophobicContact CG2-CD2 4.29Å; V205-V277 HydrophobicContact CB-CG2 3.93Å; V205-V277 HydrophobicContact CG1-CG2 3.91Å
206E93.1Very high93.4Very high128 Ų12849.7 Ų49.760%0.59825%0.25SC*.  trans-122.3164.9176.1-62-168.5171.800110.9N208 T209E206-N208 PolarHBondContact O-N 3.32Å; E206-T209 WeakPolarHBondContact O-CG2 3.24Å
207Q94.1Very high93Very high66 Ų6649 Ų4931%0.30825%0.248SC..THydrogen-bonded Turntrans-69.9131.8-179.1-179.760.2-10.700111.4Y275 L349 T350Q207-Y275 HydrophobicContact CB-CD1 4.05Å; Q207-Y275 HydrophobicContact CB-CE1 4.4Å; Q207-Y275 HydrophobicContact CB-CG 4.21Å; Q207-Y275 VanDerWaalsContact OE1-CB 3.23Å; Q207-L349 PolarHBondContact NE2-O 3.35Å; Q207-T350 PolarHBondContact NE2-O 3.49Å; Q207-T350 VanDerWaalsContact NE2-O 3.15Å
208N95.6Very high92.4Very high87 Ų8746.1 Ų46.147%0.46523%0.231SC..THydrogen-bonded Turntrans59.841.5179.4-61.5-41.4000114.2E206 R276E206-N208 PolarHBondContact O-N 3.32Å; N208-R276 CarbonylContact C-O 3.51Å; N208-R276 VanDerWaalsContact CA-O 3.23Å; N208-R276 WeakPolarHBondContact CA-O 3.24Å; N208-R276 PolarHBondContact N-O 3.07Å; N208-R276 VanDerWaalsContact N-O 3.1Å
209T95.7Very high91.8Very high12 Ų1246.2 Ų46.27%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-101.3-177176.6-165.70000112.4E206 H213 C214 R276 V277 V278E206-T209 WeakPolarHBondContact O-CG2 3.24Å; T209-H213 PolarHBondContact OG1-CD2 3.11Å; T209-H213 VanDerWaalsContact OG1-CD2 3.27Å; T209-C214 VanDerWaalsContact CG2-SG 3.57Å; T209-R276 PolarHBondContact N-O 3.1Å; T209-R276 VanDerWaalsContact N-O 3.07Å; T209-V277 HydrophobicContact CG2-CB 4.36Å; T209-V277 HydrophobicContact CG2-CG1 4.02Å; T209-V277 HydrophobicContact CG2-CG2 3.95Å; T209-V277 WeakPolarHBondContact O-CA 3.27Å; T209-V278 PolarHBondContact O-N 3.47Å
210S96.3Very high91.2Very high35 Ų3549.6 Ų49.625%0.24525%0.252CS..EExtended strand (participates in β ladder)trans-132.9157171.467.20000110.8T212 H213 C214 V278S210-T212 PolarHBondContact O-N 3.1Å; S210-H213 WeakPolarHBondContact O-CA 3.43Å; S210-H213 WeakPolarHBondContact O-CB 3.14Å; S210-H213 PolarHBondContact O-N 3.28Å; S210-H213 PolarHBondContact OG-N 3.14Å; S210-C214 PolarHBondContact O-N 2.8Å; S210-C214 PolarHBondContact O-SG 2.98Å; S210-V278 CarbonylContact C-O 3.53Å; S210-V278 WeakPolarHBondContact CA-O 3.46Å
211I94.7Very high90.8Very high0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-57.2-39.6174.7-64.4-53.8000112H213 C214 L215 L256 L258 V277 V278 F279 L283 L363I211-H213 PolarHBondContact O-N 3.5Å; I211-C214 PolarHBondContact O-N 3.24Å; I211-L215 HydrophobicContact CG2-CD1 3.68Å; I211-L215 HydrophobicContact CG2-CG 4.17Å; I211-L215 WeakPolarHBondContact O-CB 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.47Å; I211-L215 PolarHBondContact O-N 2.76Å; I211-L256 HydrophobicContact CG2-CD1 3.52Å; I211-L258 HydrophobicContact CD1-CD1 4.06Å; I211-L258 HydrophobicContact CD1-CD2 3.28Å; I211-L258 HydrophobicContact CD1-CG 4.31Å; I211-V277 HydrophobicContact CD1-CG1 3.66Å; I211-V277 HydrophobicContact CG1-CG1 4.3Å; I211-V278 PolarHBondContact N-O 3.33Å; I211-F279 HydrophobicContact CG1-CB 3.55Å; I211-L283 HydrophobicContact CG2-CD1 4.48Å; I211-L283 HydrophobicContact CG2-CD2 4.19Å; I211-L363 HydrophobicContact CD1-CD1 3.66Å; I211-L363 HydrophobicContact CG1-CD1 3.61Å
212T91.6Very high90.6Very high61 Ų6157.3 Ų57.337%0.37429%0.293SS..Hα-helixtrans-59.1-36.5175.4-49.90000111.7S210 R216S210-T212 PolarHBondContact O-N 3.1Å; T212-R216 PolarHBondContact O-N 2.99Å
213H91.8Very high90.5Very high79 Ų7959.2 Ų59.237%0.36630%0.303SS..Hα-helixtrans-74.2-48.9175.3-172.223.4000111.7T209 S210 I211 L215 R216 D217T209-H213 PolarHBondContact OG1-CD2 3.11Å; T209-H213 VanDerWaalsContact OG1-CD2 3.27Å; S210-H213 WeakPolarHBondContact O-CA 3.43Å; S210-H213 WeakPolarHBondContact O-CB 3.14Å; S210-H213 PolarHBondContact O-N 3.28Å; S210-H213 PolarHBondContact OG-N 3.14Å; I211-H213 PolarHBondContact O-N 3.5Å; H213-L215 VanDerWaalsContact C-N 3.26Å; H213-L215 PolarHBondContact O-N 3.25Å; H213-R216 WeakPolarHBondContact O-CA 3.49Å; H213-R216 WeakPolarHBondContact O-CB 3.44Å; H213-R216 PolarHBondContact O-N 3.38Å; H213-D217 IonicContact CD2-OD2 3.75Å; H213-D217 VanDerWaalsContact CE1-CG 3.43Å; H213-D217 IonicContact CE1-OD1 3.98Å; H213-D217 PolarHBondContact CE1-OD1 3.11Å; H213-D217 IonicContact CE1-OD2 2.81Å; H213-D217 PolarHBondContact CE1-OD2 3.25Å; H213-D217 IonicContact CG-OD2 3.56Å; H213-D217 IonicContact ND1-OD1 3.18Å; H213-D217 PolarHBondContact ND1-OD1 3.18Å; H213-D217 IonicContact ND1-OD2 3.78Å; H213-D217 PolarHBondContact ND1-OD2 2.77Å; H213-D217 VanDerWaalsContact ND1-OD2 3.08Å; H213-D217 IonicContact NE2-OD2 3.79Å; H213-D217 PolarHBondContact NE2-OD2 3.29Å; H213-D217 PolarHBondContact O-N 2.87Å
214C90.7Very high90.4Very high7 Ų760.4 Ų60.45%0.04731%0.309CS..Hα-helixtrans-53.8-42177.2-68.90000112.4V203 D204 T209 S210 I211 D217 F218V203-C214 HydrophobicContact CB-CB 4.25Å; V203-C214 HydrophobicContact CG2-CB 4.24Å; D204-C214 PolarHBondContact O-SG 3Å; D204-C214 VanDerWaalsContact O-SG 3.38Å; T209-C214 VanDerWaalsContact CG2-SG 3.57Å; S210-C214 PolarHBondContact O-N 2.8Å; S210-C214 PolarHBondContact O-SG 2.98Å; I211-C214 PolarHBondContact O-N 3.24Å; C214-D217 PolarHBondContact O-N 2.82Å; C214-F218 WeakPolarHBondContact O-CB 3.3Å; C214-F218 PolarHBondContact O-N 3.31Å
215L86.3Confident90.4Very high20 Ų2058 Ų5811%0.10530%0.3CS..Hα-helixtrans-71.9-29.1178.3-69.6172000113.1L201 V203 I211 H213 L256 L283 L285L201-L215 HydrophobicContact CD2-CD2 3.47Å; L201-L215 VanDerWaalsContact CD2-CD2 3.47Å; V203-L215 HydrophobicContact CG1-CD2 3.86Å; I211-L215 HydrophobicContact CG2-CD1 3.68Å; I211-L215 HydrophobicContact CG2-CG 4.17Å; I211-L215 WeakPolarHBondContact O-CB 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.47Å; I211-L215 PolarHBondContact O-N 2.76Å; H213-L215 VanDerWaalsContact C-N 3.26Å; H213-L215 PolarHBondContact O-N 3.25Å; L215-L256 HydrophobicContact CD1-CD1 4.01Å; L215-L256 HydrophobicContact CD2-CD2 3.96Å; L215-L283 HydrophobicContact CD1-CD2 3.94Å; L215-L285 HydrophobicContact CB-CD2 4.48Å; L215-L285 HydrophobicContact CD1-CD1 4.22Å; L215-L285 HydrophobicContact CD1-CD2 3.48Å; L215-L285 VanDerWaalsContact CD1-CD2 3.48Å; L215-L285 HydrophobicContact CD1-CG 4.48Å
216R83.9Confident90.3Very high168 Ų16861.9 Ų61.963%0.63433%0.328SS*.Hα-helixtrans-69.2-44.8171.1-174.4-179.4-64.3178.3-0.6110.3T212 H213 F218 S219 N220T212-R216 PolarHBondContact O-N 2.99Å; H213-R216 WeakPolarHBondContact O-CA 3.49Å; H213-R216 WeakPolarHBondContact O-CB 3.44Å; H213-R216 PolarHBondContact O-N 3.38Å; R216-F218 VanDerWaalsContact C-N 3.31Å; R216-F218 PolarHBondContact O-N 3.18Å; R216-S219 CarbonylContact O-C 3.48Å; R216-S219 PolarHBondContact O-N 2.9Å; R216-N220 PolarHBondContact O-N 2.85Å; R216-N220 PolarHBondContact O-OD1 2.8Å
217D83.7Confident90.2Very high55 Ų5562.8 Ų62.829%0.29433%0.332SS..Hα-helixtrans-68.1-33.6-179.4-61.5-22.9000112.3H213 C214 S219 N220H213-D217 IonicContact CD2-OD2 3.75Å; H213-D217 VanDerWaalsContact CE1-CG 3.43Å; H213-D217 IonicContact CE1-OD1 3.98Å; H213-D217 PolarHBondContact CE1-OD1 3.11Å; H213-D217 IonicContact CE1-OD2 2.81Å; H213-D217 PolarHBondContact CE1-OD2 3.25Å; H213-D217 IonicContact CG-OD2 3.56Å; H213-D217 IonicContact ND1-OD1 3.18Å; H213-D217 PolarHBondContact ND1-OD1 3.18Å; H213-D217 IonicContact ND1-OD2 3.78Å; H213-D217 PolarHBondContact ND1-OD2 2.77Å; H213-D217 VanDerWaalsContact ND1-OD2 3.08Å; H213-D217 IonicContact NE2-OD2 3.79Å; H213-D217 PolarHBondContact NE2-OD2 3.29Å; H213-D217 PolarHBondContact O-N 2.87Å; C214-D217 PolarHBondContact O-N 2.82Å; D217-S219 PolarHBondContact O-N 2.67Å; D217-S219 VanDerWaalsContact O-N 3.15Å; D217-N220 WeakPolarHBondContact O-CB 3.49Å; D217-N220 PolarHBondContact O-N 2.95Å; D217-N220 PolarHBondContact OD1-ND2 3.44Å; D217-N220 VanDerWaalsContact OD1-ND2 3.11Å
218F81Confident90.1Very high39 Ų3967.4 Ų67.417%0.17135%0.348CS..Hα-helixtrans-54-31.7170-175.3-90.9000112.6L179 L201 C214 R216 M245L179-F218 HydrophobicContact CD1-CE1 3.93Å; L179-F218 HydrophobicContact CD1-CZ 3.73Å; L179-F218 HydrophobicContact CD2-CE1 3.92Å; L201-F218 HydrophobicContact CD1-CD1 4.5Å; L201-F218 HydrophobicContact CD1-CE1 3.81Å; L201-F218 HydrophobicContact CD1-CE2 3.84Å; L201-F218 HydrophobicContact CD1-CZ 3.45Å; L201-F218 VanDerWaalsContact CD1-CZ 3.45Å; L201-F218 HydrophobicContact CD2-CD1 4.34Å; L201-F218 HydrophobicContact CD2-CE1 4.4Å; L201-F218 HydrophobicContact CG-CE2 4.35Å; L201-F218 HydrophobicContact CG-CZ 4.34Å; C214-F218 WeakPolarHBondContact O-CB 3.3Å; C214-F218 PolarHBondContact O-N 3.31Å; R216-F218 VanDerWaalsContact C-N 3.31Å; R216-F218 PolarHBondContact O-N 3.18Å; F218-M245 HydrophobicContact CD1-CB 4.41Å; F218-M245 HydrophobicContact CE1-CB 3.78Å; F218-M245 HydrophobicContact CE1-SD 4.43Å; F218-M245 HydrophobicContact CE2-SD 4.31Å; F218-M245 HydrophobicContact CZ-CB 4.13Å; F218-M245 HydrophobicContact CZ-CE 3.92Å; F218-M245 HydrophobicContact CZ-SD 3.81Å
219S83.4Confident89.9Confident25 Ų2566.9 Ų66.918%0.17534%0.341CS..THydrogen-bonded Turntrans-97.83.5177-74.10000115.3R216 D217 M245R216-S219 CarbonylContact O-C 3.48Å; R216-S219 PolarHBondContact O-N 2.9Å; D217-S219 PolarHBondContact O-N 2.67Å; D217-S219 VanDerWaalsContact O-N 3.15Å; S219-M245 WeakPolarHBondContact CA-O 3.22Å; S219-M245 WeakPolarHBondContact CB-O 3.4Å; S219-M245 PolarHBondContact OG-O 3.28Å
220N86.1Confident89.8Confident86 Ų8669.4 Ų69.446%0.4635%0.35SS..SBendtrans-71156.3174.2-74.2-17.2000111.2R216 D217 E222R216-N220 PolarHBondContact O-N 2.85Å; R216-N220 PolarHBondContact O-OD1 2.8Å; D217-N220 WeakPolarHBondContact O-CB 3.49Å; D217-N220 PolarHBondContact O-N 2.95Å; D217-N220 PolarHBondContact OD1-ND2 3.44Å; D217-N220 VanDerWaalsContact OD1-ND2 3.11Å; N220-E222 PolarHBondContact O-N 2.91Å
221T88.3Confident89.8Confident72 Ų7273.7 Ų73.744%0.44236%0.362SS..PPolyproline II helixtrans-79.6118.2174.5-56.90000109.9Q242 K243T221-Q242 HydrophobicContact CG2-CB 3.61Å; T221-Q242 HydrophobicContact CG2-CG 3.74Å; T221-K243 CarbonylContact C-O 3.43Å; T221-K243 WeakPolarHBondContact CA-O 3.42Å
222E90.9Very high89.9Confident116 Ų11673.9 Ų73.954%0.54236%0.363SS..EExtended strand (participates in β ladder)trans-90.2143.9169.4-174.9-177-175.700110N220 Q242 K243N220-E222 PolarHBondContact O-N 2.91Å; E222-Q242 CarbonylContact O-C 3.55Å; E222-Q242 WeakPolarHBondContact O-CA 3.36Å; E222-K243 PolarHBondContact N-O 3Å; E222-K243 PolarHBondContact O-N 3.32Å
223T93.2Very high90.1Very high70 Ų7078.3 Ų78.343%0.42938%0.379SS..EExtended strand (participates in β ladder)trans-104.2116.6172.6-56.60000110.3L186 C225 A241L186-T223 HydrophobicContact CD1-CG2 4.18Å; T223-C225 PolarHBondContact O-N 3.25Å; T223-A241 CarbonylContact C-O 3.52Å; T223-A241 WeakPolarHBondContact CA-O 3.36Å
224L92.5Very high90.3Very high26 Ų2678.9 Ų78.914%0.13639%0.389CS..EExtended strand (participates in β ladder)trans-82.9108.9175.9-60.3-178.3000109.3Y228 E240 A241 K243L224-Y228 WeakPolarHBondContact CB-O 3.45Å; L224-E240 VanDerWaalsContact O-CA 3.31Å; L224-E240 WeakPolarHBondContact O-CA 3.45Å; L224-A241 HydrophobicContact CB-CB 4.48Å; L224-A241 HydrophobicContact CD1-CB 4.47Å; L224-A241 PolarHBondContact N-O 3.32Å; L224-A241 PolarHBondContact O-N 3.06Å; L224-K243 HydrophobicContact CD1-CB 4.14Å; L224-K243 HydrophobicContact CD1-CD 4.4Å; L224-K243 HydrophobicContact CG-CB 4.3Å
225C91.8Very high90.6Very high55 Ų5580 Ų8037%0.37240%0.396SS..  trans-131.2174.3-178.267.10000112.3T223 E227 Y228T223-C225 PolarHBondContact O-N 3.25Å; C225-E227 PolarHBondContact O-N 3.24Å; C225-E227 VanDerWaalsContact O-N 3.17Å; C225-Y228 PolarHBondContact O-N 2.72Å
226S91.5Very high91.1Very high92 Ų9283.4 Ų83.464%0.64342%0.42SS*.G310 helixtrans52.9-116.1176.2-58.90000113.6Y228 K229S226-Y228 VanDerWaalsContact C-N 3.31Å; S226-K229 WeakPolarHBondContact O-CG 3.4Å
227E91.5Very high91.7Very high147 Ų14777.4 Ų77.469%0.68740%0.404SS*.G310 helixtrans-74.5-20.7-179.564.5-166.6153.700113.6C225 K229C225-E227 PolarHBondContact O-N 3.24Å; C225-E227 VanDerWaalsContact O-N 3.17Å; E227-K229 VanDerWaalsContact C-N 3.35Å; E227-K229 PolarHBondContact O-N 2.81Å
228Y91.1Very high92.3Very high164 Ų16481.3 Ų81.364%0.64342%0.419SS*.G310 helixtrans-91.511.7-177.3-57.1-72.2000113.7L224 C225 S226 Y230L224-Y228 WeakPolarHBondContact CB-O 3.45Å; C225-Y228 PolarHBondContact O-N 2.72Å; S226-Y228 VanDerWaalsContact C-N 3.31Å; Y228-Y230 PolarHBondContact O-N 2.94Å
229K92.9Very high93.1Very high76 Ų7681.3 Ų81.333%0.3342%0.419SS..  trans-54132.9178.9-76.3179-175.9-166.20112.4S226 E227 K238 Q239 E240S226-K229 WeakPolarHBondContact O-CG 3.4Å; E227-K229 VanDerWaalsContact C-N 3.35Å; E227-K229 PolarHBondContact O-N 2.81Å; K229-K238 HydrophobicContact CB-CB 3.96Å; K229-Q239 CarbonylContact C-O 3.55Å; K229-Q239 WeakPolarHBondContact CA-O 3.36Å; K229-Q239 WeakPolarHBondContact CB-O 3.28Å; K229-E240 HydrophobicContact CD-CG 4.36Å; K229-E240 HydrophobicContact CG-CG 4.22Å; K229-E240 IonicContact NZ-OE1 3.41Å
230Y93.1Very high93.7Very high64 Ų6484.1 Ų84.125%0.25143%0.429SS..EExtended strand (participates in β ladder)trans-77.6140.6178.1160.6-106.5000111.1T183 Y228 C232 K238 Q239 A241T183-Y230 HydrophobicContact CG2-CD1 3.84Å; T183-Y230 HydrophobicContact CG2-CD2 4.17Å; T183-Y230 HydrophobicContact CG2-CE1 4.01Å; T183-Y230 HydrophobicContact CG2-CE2 4.36Å; T183-Y230 HydrophobicContact CG2-CG 3.93Å; Y228-Y230 PolarHBondContact O-N 2.94Å; Y230-C232 HydrophobicContact CD1-CB 4.19Å; Y230-C232 HydrophobicContact CE1-CB 3.87Å; Y230-C232 PolarHBondContact O-N 3.34Å; Y230-K238 CarbonylContact O-C 3.57Å; Y230-K238 WeakPolarHBondContact O-CA 3.23Å; Y230-Q239 PolarHBondContact N-O 2.83Å; Y230-Q239 PolarHBondContact O-N 3.3Å; Y230-A241 HydrophobicContact CD1-CB 4.05Å; Y230-A241 HydrophobicContact CG-CB 4.28Å
231Y95.8Very high94.2Very high126 Ų12680 Ų8049%0.49441%0.407SS..EExtended strand (participates in β ladder)trans-80.6108.4172.8-174.6-91.4000110C236Y231-C236 PolarHBondContact OH-O 3.25Å
232C96.2Very high94.6Very high3 Ų379.7 Ų79.72%0.0240%0.401CS..EExtended strand (participates in β ladder)trans-87.9120.6178.7176.70000110.3C185 C188 Y230 T234 C235 C236 S237 Q239C185-C232 HydrophobicContact CB-CB 4.34Å; C188-C232 VanDerWaalsContact SG-SG 3.6Å; Y230-C232 HydrophobicContact CD1-CB 4.19Å; Y230-C232 HydrophobicContact CE1-CB 3.87Å; Y230-C232 PolarHBondContact O-N 3.34Å; C232-T234 VanDerWaalsContact C-N 3.31Å; C232-T234 PolarHBondContact O-N 3.46Å; C232-C235 HydrophobicContact CB-CB 4.02Å; C232-C235 CarbonylContact O-C 3.57Å; C232-C235 PolarHBondContact O-N 3.27Å; C232-C236 WeakPolarHBondContact O-CA 3.36Å; C232-C236 PolarHBondContact O-N 3.36Å; C232-S237 PolarHBondContact N-O 2.84Å; C232-S237 PolarHBondContact O-N 3.3Å; C232-Q239 HydrophobicContact CB-CB 4.4Å; C232-Q239 HydrophobicContact CB-CG 4.14Å
233E95.8Very high94.7Very high155 Ų15577.1 Ų77.172%0.72439%0.388SS*.THydrogen-bonded Turntrans-64.5-33178.9-64.1-177.9178.600112.6C236E233-C236 PolarHBondContact O-N 2.95Å; E233-C236 PolarHBondContact O-SG 2.93Å; E233-C236 VanDerWaalsContact O-SG 3.33Å
234T96.6Very high94.5Very high91 Ų9178 Ų7856%0.55838%0.384SS*.THydrogen-bonded Turntrans-69.6-38.5175.8-47.50000112.3T190 C232T190-T234 PolarHBondContact OG1-OG1 2.9Å; C232-T234 VanDerWaalsContact C-N 3.31Å; C232-T234 PolarHBondContact O-N 3.46Å
235C96.3Very high94.3Very high31 Ų3178.7 Ų78.721%0.20939%0.386CS..THydrogen-bonded Turntrans-87.2-7.5178.3-64.70000113.2N187 C188 C232 S237 Q239N187-C235 PolarHBondContact ND2-SG 2.92Å; C188-C235 VanDerWaalsContact CB-SG 3.58Å; C188-C235 PolarHBondContact SG-SG 3.31Å; C232-C235 HydrophobicContact CB-CB 4.02Å; C232-C235 CarbonylContact O-C 3.57Å; C232-C235 PolarHBondContact O-N 3.27Å; C235-S237 PolarHBondContact O-N 3.46Å; C235-S237 PolarHBondContact O-OG 3.06Å; C235-Q239 HydrophobicContact CB-CG 3.91Å
236C96.8Very high94.1Very high90 Ų9079 Ų7961%0.60838%0.379SS*.THydrogen-bonded Turntrans46.733.3-171.7-61.40000114.3Y231 C232 E233Y231-C236 PolarHBondContact OH-O 3.25Å; C232-C236 WeakPolarHBondContact O-CA 3.36Å; C232-C236 PolarHBondContact O-N 3.36Å; E233-C236 PolarHBondContact O-N 2.95Å; E233-C236 PolarHBondContact O-SG 2.93Å; E233-C236 VanDerWaalsContact O-SG 3.33Å
237S96.8Very high93.8Very high42 Ų4275.4 Ų75.429%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-159164.8-172.652.60000112.7C232 C235 Q239C232-S237 PolarHBondContact N-O 2.84Å; C232-S237 PolarHBondContact O-N 3.3Å; C235-S237 PolarHBondContact O-N 3.46Å; C235-S237 PolarHBondContact O-OG 3.06Å; S237-Q239 PolarHBondContact O-N 3.34Å; S237-Q239 PolarHBondContact OG-NE2 3.32Å
238K97.3Very high93.6Very high138 Ų13872 Ų7260%0.634%0.337SS*.EExtended strand (participates in β ladder)trans-72.7121.6175-75.1-168.1178.3-170.80110.7K229 Y230K229-K238 HydrophobicContact CB-CB 3.96Å; Y230-K238 CarbonylContact O-C 3.57Å; Y230-K238 WeakPolarHBondContact O-CA 3.23Å
239Q97.4Very high93.6Very high39 Ų3969 Ų6918%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-127.2157.3-176.7-61.6-59.5-2700110.8N187 K229 Y230 C232 C235 S237N187-Q239 HydrophobicContact CB-CB 4.45Å; N187-Q239 HydrophobicContact CB-CG 4.16Å; K229-Q239 CarbonylContact C-O 3.55Å; K229-Q239 WeakPolarHBondContact CA-O 3.36Å; K229-Q239 WeakPolarHBondContact CB-O 3.28Å; Y230-Q239 PolarHBondContact N-O 2.83Å; Y230-Q239 PolarHBondContact O-N 3.3Å; C232-Q239 HydrophobicContact CB-CB 4.4Å; C232-Q239 HydrophobicContact CB-CG 4.14Å; C235-Q239 HydrophobicContact CB-CG 3.91Å; S237-Q239 PolarHBondContact O-N 3.34Å; S237-Q239 PolarHBondContact OG-NE2 3.32Å
240E97.1Very high93.5Very high83 Ų8365.9 Ų65.939%0.38831%0.314SS..  trans-68.5142.6166.1-62.7179.4-176.900109L186 L224 K229L186-E240 HydrophobicContact CB-CB 4.34Å; L186-E240 WeakPolarHBondContact CB-O 3.4Å; L186-E240 HydrophobicContact CD1-CB 4.12Å; L186-E240 PolarHBondContact N-O 3.16Å; L224-E240 VanDerWaalsContact O-CA 3.31Å; L224-E240 WeakPolarHBondContact O-CA 3.45Å; K229-E240 HydrophobicContact CD-CG 4.36Å; K229-E240 HydrophobicContact CG-CG 4.22Å; K229-E240 IonicContact NZ-OE1 3.41Å
241A96.6Very high93.6Very high0 Ų063 Ų630%030%0.303CS..EExtended strand (participates in β ladder)trans-145.8152.4-175.600000111.4T183 R184 T223 L224 Y230T183-A241 HydrophobicContact CG2-CB 3.87Å; R184-A241 CarbonylContact O-C 3.55Å; R184-A241 WeakPolarHBondContact O-CA 3.38Å; R184-A241 WeakPolarHBondContact O-CB 3.34Å; T223-A241 CarbonylContact C-O 3.52Å; T223-A241 WeakPolarHBondContact CA-O 3.36Å; L224-A241 HydrophobicContact CB-CB 4.48Å; L224-A241 HydrophobicContact CD1-CB 4.47Å; L224-A241 PolarHBondContact N-O 3.32Å; L224-A241 PolarHBondContact O-N 3.06Å; Y230-A241 HydrophobicContact CD1-CB 4.05Å; Y230-A241 HydrophobicContact CG-CB 4.28Å
242Q95.7Very high93.7Very high65 Ų6560.3 Ų60.330%0.30430%0.296SS..EExtended strand (participates in β ladder)trans-98.3122.7167.7-82.2174.7-10.900108.9T183 R184 L186 T221 E222T183-Q242 CarbonylContact C-O 3.59Å; T183-Q242 WeakPolarHBondContact CA-O 3.46Å; R184-Q242 HydrophobicContact CB-CB 4.36Å; R184-Q242 PolarHBondContact N-O 2.95Å; R184-Q242 PolarHBondContact O-N 2.96Å; L186-Q242 HydrophobicContact CD1-CG 4.34Å; L186-Q242 HydrophobicContact CD2-CB 4.49Å; L186-Q242 HydrophobicContact CD2-CG 3.89Å; L186-Q242 HydrophobicContact CG-CG 4.39Å; T221-Q242 HydrophobicContact CG2-CB 3.61Å; T221-Q242 HydrophobicContact CG2-CG 3.74Å; E222-Q242 CarbonylContact O-C 3.55Å; E222-Q242 WeakPolarHBondContact O-CA 3.36Å
243K92.9Very high93.8Very high62 Ų6260.1 Ų60.127%0.2730%0.295SS..EExtended strand (participates in β ladder)trans-113.3136.1177.8-172.3-173.5174.9-1480109.6N181 E182 T221 E222 L224N181-K243 WeakPolarHBondContact OD1-CE 3.28Å; N181-K243 WeakPolarHBondContact OD1-CG 3.27Å; E182-K243 CarbonylContact O-C 3.58Å; E182-K243 WeakPolarHBondContact O-CA 3.27Å; T221-K243 CarbonylContact C-O 3.43Å; T221-K243 WeakPolarHBondContact CA-O 3.42Å; E222-K243 PolarHBondContact N-O 3Å; E222-K243 PolarHBondContact O-N 3.32Å; L224-K243 HydrophobicContact CD1-CB 4.14Å; L224-K243 HydrophobicContact CD1-CD 4.4Å; L224-K243 HydrophobicContact CG-CB 4.3Å
244R89.7Confident93.9Very high90 Ų9052.9 Ų52.934%0.3426%0.261SS..EExtended strand (participates in β ladder)trans-142.6146.6172.766.6179.1-178.2-178.21.2111.2E182E182-R244 HydrophobicContact CB-CG 3.92Å; E182-R244 PolarHBondContact N-O 3.13Å; E182-R244 PolarHBondContact O-N 3.39Å; E182-R244 IonicContact OE1-NE 3.54Å; E182-R244 IonicContact OE1-NH2 3.09Å; E182-R244 IonicContact OE2-CZ 3.92Å; E182-R244 IonicContact OE2-NE 2.64Å; E182-R244 PolarHBondContact OE2-NE 3.43Å; E182-R244 IonicContact OE2-NH2 2.97Å; E182-R244 PolarHBondContact OE2-NH2 2.68Å
245M88.6Confident93.9Very high39 Ų3948.6 Ų48.619%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-113.3121176.2-61.8-174.577.400110.1L179 F218 S219L179-M245 HydrophobicContact CB-CE 4.5Å; L179-M245 HydrophobicContact CD1-CE 3.64Å; F218-M245 HydrophobicContact CD1-CB 4.41Å; F218-M245 HydrophobicContact CE1-CB 3.78Å; F218-M245 HydrophobicContact CE1-SD 4.43Å; F218-M245 HydrophobicContact CE2-SD 4.31Å; F218-M245 HydrophobicContact CZ-CB 4.13Å; F218-M245 HydrophobicContact CZ-CE 3.92Å; F218-M245 HydrophobicContact CZ-SD 3.81Å; S219-M245 WeakPolarHBondContact CA-O 3.22Å; S219-M245 WeakPolarHBondContact CB-O 3.4Å; S219-M245 PolarHBondContact OG-O 3.28Å
246R86.3Confident94Very high61 Ų6147.1 Ų47.123%0.2323%0.225CC..EExtended strand (participates in β ladder)trans-110.7141.9-179.7-66.3172.180.5-175.96.8110.1L179 T180 E182 K248 T288L179-R246 CarbonylContact C-O 3.58Å; L179-R246 WeakPolarHBondContact CA-O 3.3Å; T180-R246 PolarHBondContact N-O 2.88Å; T180-R246 PolarHBondContact O-N 2.87Å; E182-R246 VanDerWaalsContact OE1-CD 3.27Å; E182-R246 WeakPolarHBondContact OE1-CD 3.4Å; E182-R246 IonicContact OE1-CZ 2.8Å; E182-R246 IonicContact OE1-NH1 2.66Å; E182-R246 PolarHBondContact OE1-NH1 3.18Å; R246-K248 PolarHBondContact O-N 2.89Å; R246-T288 WeakPolarHBondContact CA-OG1 3.38Å; R246-T288 WeakPolarHBondContact CB-OG1 3.43Å; R246-T288 PolarHBondContact NE-O 2.98Å; R246-T288 PolarHBondContact NH2-O 2.89Å
247V86.1Confident94.1Very high17 Ų1743.6 Ų43.610%0.10320%0.199CC..EExtended strand (participates in β ladder)trans-80.4113.4172.3-173.80000107.9L179 L250 T288 S289L179-V247 HydrophobicContact CD2-CB 4.32Å; L179-V247 HydrophobicContact CD2-CG2 3.81Å; V247-L250 HydrophobicContact CG1-CD2 3.72Å; V247-L250 HydrophobicContact CG1-CG 3.78Å; V247-T288 PolarHBondContact N-OG1 3.43Å; V247-T288 PolarHBondContact O-N 3Å; V247-T288 VanDerWaalsContact O-N 3.14Å; V247-S289 PolarHBondContact O-N 2.94Å
248K87.8Confident94.1Very high77 Ų7741.6 Ų41.634%0.33519%0.185SC..EExtended strand (participates in β ladder)trans-91.8-44.5179.2179.3172.6178.8171.20111.8T178 T180 D195 R246T178-K248 WeakPolarHBondContact O-CA 3.47Å; T178-K248 WeakPolarHBondContact O-CB 3.49Å; T178-K248 PolarHBondContact O-N 3Å; T180-K248 WeakPolarHBondContact OG1-CD 3.49Å; D195-K248 IonicContact OD1-NZ 2.75Å; D195-K248 IonicContact OD2-NZ 3.85Å; D195-K248 PolarHBondContact OD2-NZ 2.88Å; R246-K248 PolarHBondContact O-N 2.89Å
249K90.3Very high94.1Very high101 Ų10138.7 Ų38.744%0.43917%0.172SC..EExtended strand (participates in β ladder)trans-130.7125.6176-177.8-172.7171.9-165.70109.4G177 T178G177-K249 CarbonylContact C-O 3.46Å; G177-K249 WeakPolarHBondContact CA-O 3.43Å; T178-K249 PolarHBondContact N-O 3.09Å; T178-K249 PolarHBondContact O-N 3.26Å
250L91.6Very high93.9Very high10 Ų1036.8 Ų36.85%0.05216%0.164CC..  trans-87.6136.4174.5-83.3169000111V247 L285 N287 R297 Y299V247-L250 HydrophobicContact CG1-CD2 3.72Å; V247-L250 HydrophobicContact CG1-CG 3.78Å; L250-L285 HydrophobicContact CD1-CB 4Å; L250-L285 HydrophobicContact CD2-CB 4.32Å; L250-L285 HydrophobicContact CD2-CD1 3.94Å; L250-N287 WeakPolarHBondContact CD1-OD1 3.36Å; L250-N287 WeakPolarHBondContact CG-OD1 3.33Å; L250-R297 HydrophobicContact CD1-CB 4.07Å; L250-R297 PolarHBondContact O-NH1 3.39Å; L250-Y299 WeakPolarHBondContact CB-OH 3.4Å; L250-Y299 HydrophobicContact CD1-CE2 4.42Å; L250-Y299 HydrophobicContact CD2-CE2 4.43Å
251P95.1Very high93.7Very high2 Ų234.3 Ų34.31%0.01315%0.152CC..  trans-75.3165.4179.532-36.4000112.6F175 F198 I253 L254 R297 Y299F175-P251 VanDerWaalsContact O-CB 3.27Å; F175-P251 WeakPolarHBondContact O-CB 3.32Å; F198-P251 HydrophobicContact CE2-CG 4.39Å; P251-I253 WeakPolarHBondContact CB-O 3.26Å; P251-I253 WeakPolarHBondContact CG-O 3.29Å; P251-L254 HydrophobicContact CG-CB 3.97Å; P251-L254 HydrophobicContact CG-CD1 3.84Å; P251-R297 PolarHBondContact O-NH1 2.89Å; P251-Y299 PolarHBondContact O-OH 3.26Å
252M96.2Very high93.3Very high70 Ų7040.1 Ų40.135%0.34518%0.177SC..SBendtrans-66.4-42.7172.9179.5-170.8-6700111.1P58 I174 S367P58-M252 HydrophobicContact CB-SD 3.71Å; P58-M252 HydrophobicContact CG-SD 3.61Å; I174-M252 WeakPolarHBondContact O-CB 3.35Å; I174-M252 PolarHBondContact O-N 3.48Å; M252-S367 WeakPolarHBondContact CA-OG 3.29Å; M252-S367 WeakPolarHBondContact O-CB 3.4Å; M252-S367 PolarHBondContact O-N 3.35Å; M252-S367 PolarHBondContact O-OG 3.23Å
253I98.3Very high93Very high0 Ų041.9 Ų41.90%018%0.181CC..EExtended strand (participates in β ladder)trans-116.5117.7170.5-58.5-177.2000108.2C56 P58 I174 F175 P251 F364 Y365 Q366C56-I253 HydrophobicContact CB-CD1 3.58Å; P58-I253 HydrophobicContact CG-CD1 4.25Å; I174-I253 HydrophobicContact CG2-CB 4Å; I174-I253 HydrophobicContact CG2-CD1 3.59Å; I174-I253 HydrophobicContact CG2-CG1 3.76Å; I174-I253 PolarHBondContact O-N 2.67Å; F175-I253 HydrophobicContact CD1-CB 3.98Å; F175-I253 HydrophobicContact CD1-CG2 4.04Å; F175-I253 HydrophobicContact CE1-CB 3.79Å; F175-I253 HydrophobicContact CE1-CD1 4.45Å; F175-I253 HydrophobicContact CE1-CG2 3.52Å; F175-I253 HydrophobicContact CZ-CD1 4.39Å; F175-I253 HydrophobicContact CZ-CG2 4.37Å; P251-I253 WeakPolarHBondContact CB-O 3.26Å; P251-I253 WeakPolarHBondContact CG-O 3.29Å; I253-F364 HydrophobicContact CG2-CD1 4.19Å; I253-Y365 CarbonylContact C-O 3.53Å; I253-Y365 VanDerWaalsContact CA-O 3.29Å; I253-Y365 WeakPolarHBondContact CA-O 3.47Å; I253-Q366 HydrophobicContact CG1-CB 4.44Å; I253-Q366 HydrophobicContact CG1-CG 4.32Å
254L97.8Very high92.6Very high3 Ų341.8 Ų41.82%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-90.8108174.6179.965.3000109.3F198 P251 L256 L285 Y299 Y365F198-L254 HydrophobicContact CE2-CD1 4.08Å; P251-L254 HydrophobicContact CG-CB 3.97Å; P251-L254 HydrophobicContact CG-CD1 3.84Å; L254-L256 HydrophobicContact CD1-CD2 3.87Å; L254-L256 HydrophobicContact CD2-CD1 4.21Å; L254-L256 HydrophobicContact CD2-CD2 3.8Å; L254-L256 HydrophobicContact CD2-CG 4.06Å; L254-L256 HydrophobicContact CG-CD2 3.66Å; L254-L256 HydrophobicContact CG-CG 3.9Å; L254-L285 HydrophobicContact CD2-CD1 3.24Å; L254-Y299 HydrophobicContact CB-CD1 4.26Å; L254-Y299 HydrophobicContact CB-CE1 3.87Å; L254-Y365 PolarHBondContact N-O 3.08Å; L254-Y365 PolarHBondContact O-N 3.38Å
255A98.5Very high92.5Very high1 Ų144.9 Ų44.91%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-85.4117.2167.800000109.3D200 L201 L363 F364D200-A255 CarbonylContact C-O 3.57Å; D200-A255 WeakPolarHBondContact CA-O 3.38Å; D200-A255 HydrophobicContact CB-CB 3.94Å; L201-A255 PolarHBondContact N-O 2.77Å; A255-L363 CarbonylContact C-O 3.57Å; A255-L363 WeakPolarHBondContact CA-O 3.19Å; A255-F364 HydrophobicContact CB-CD1 4.27Å; A255-F364 HydrophobicContact CB-CE1 4.1Å
256L98.2Very high92.5Very high0 Ų051.8 Ų51.80%023%0.233CC..EExtended strand (participates in β ladder)trans-108.6116.8177.1-61.8179.1000109.8L201 I211 L215 L254 L283 I362 L363 Y365L201-L256 HydrophobicContact CB-CD2 3.81Å; L201-L256 HydrophobicContact CD2-CD2 4.17Å; L201-L256 WeakPolarHBondContact O-CA 3.43Å; I211-L256 HydrophobicContact CG2-CD1 3.52Å; L215-L256 HydrophobicContact CD1-CD1 4.01Å; L215-L256 HydrophobicContact CD2-CD2 3.96Å; L254-L256 HydrophobicContact CD1-CD2 3.87Å; L254-L256 HydrophobicContact CD2-CD1 4.21Å; L254-L256 HydrophobicContact CD2-CD2 3.8Å; L254-L256 HydrophobicContact CD2-CG 4.06Å; L254-L256 HydrophobicContact CG-CD2 3.66Å; L254-L256 HydrophobicContact CG-CG 3.9Å; L256-L283 HydrophobicContact CD1-CD2 4.32Å; L256-I362 CarbonylContact O-C 3.56Å; L256-I362 VanDerWaalsContact O-CA 3.31Å; L256-I362 WeakPolarHBondContact O-CA 3.35Å; L256-L363 HydrophobicContact CB-CB 4.22Å; L256-L363 PolarHBondContact N-O 2.75Å; L256-L363 PolarHBondContact O-N 3.09Å; L256-Y365 HydrophobicContact CD1-CD2 3.91Å; L256-Y365 HydrophobicContact CD1-CE2 3.99Å; L256-Y365 HydrophobicContact CG-CD2 4.48Å
257H98.3Very high92.5Very high15 Ų1553.3 Ų53.37%0.06925%0.245CC..EExtended strand (participates in β ladder)trans-95126.5172.3162.7-129.3000109.8H122 L201 S202 V203 Y361H122-H257 VanDerWaalsContact CD2-CB 3.42Å; H122-H257 WeakPolarHBondContact CD2-CB 3.44Å; H122-H257 AromaticContact CD2-CG 3.47Å; H122-H257 VanDerWaalsContact CD2-CG 3.47Å; H122-H257 AromaticContact CD2-ND1 3.76Å; H122-H257 AromaticContact CE1-CG 3.94Å; H122-H257 AromaticContact CE1-ND1 3.42Å; H122-H257 PolarHBondContact CE1-ND1 2.87Å; H122-H257 AromaticContact CG-CD2 3.82Å; H122-H257 AromaticContact CG-CE1 3.88Å; H122-H257 AromaticContact CG-CG 3.55Å; H122-H257 AromaticContact CG-ND1 3.61Å; H122-H257 AromaticContact ND1-CE1 3.59Å; H122-H257 AromaticContact ND1-CG 3.87Å; H122-H257 AromaticContact ND1-ND1 3.41Å; H122-H257 PolarHBondContact ND1-ND1 3.32Å; H122-H257 AromaticContact NE2-CG 3.71Å; H122-H257 AromaticContact NE2-ND1 3.62Å; L201-H257 PolarHBondContact O-N 3.27Å; S202-H257 CarbonylContact C-O 3.6Å; S202-H257 WeakPolarHBondContact CA-O 3.36Å; S202-H257 PolarHBondContact OG-ND1 3.15Å; V203-H257 PolarHBondContact N-O 2.84Å; H257-Y361 AromaticContact CD2-CE2 3.72Å; H257-Y361 AromaticContact CD2-CZ 3.74Å; H257-Y361 AromaticContact NE2-CE2 3.43Å; H257-Y361 WeakPolarHBondContact NE2-CE2 3.32Å; H257-Y361 AromaticContact NE2-CZ 3.45Å; H257-Y361 PolarHBondContact NE2-OH 3.47Å
258L97.6Very high92.6Very high0 Ų059.6 Ų59.60%027%0.273CS..EExtended strand (participates in β ladder)trans-90.8113.8175-53-166.7000108.6V203 V205 I211 R260 V277 G360 Y361 L363V203-L258 HydrophobicContact CG2-CD2 3.47Å; V203-L258 VanDerWaalsContact CG2-CD2 3.47Å; V205-L258 HydrophobicContact CG1-CB 3.92Å; V205-L258 HydrophobicContact CG1-CD2 4.41Å; I211-L258 HydrophobicContact CD1-CD1 4.06Å; I211-L258 HydrophobicContact CD1-CD2 3.28Å; I211-L258 HydrophobicContact CD1-CG 4.31Å; L258-R260 HydrophobicContact CB-CG 4.08Å; L258-R260 PolarHBondContact O-N 2.98Å; L258-V277 HydrophobicContact CD1-CB 4.31Å; L258-V277 HydrophobicContact CD1-CG1 4.08Å; L258-G360 WeakPolarHBondContact CD1-O 3.01Å; L258-Y361 PolarHBondContact N-O 3.46Å; L258-Y361 WeakPolarHBondContact O-CE2 3.5Å; L258-L363 HydrophobicContact CD1-CD1 4.45Å; L258-L363 HydrophobicContact CD2-CD1 4.32Å
259K95.6Very high92.6Very high77 Ų7762.4 Ų62.434%0.33528%0.282SS..  trans-6968.8-179-67.2176.3-177.8170.50111.9S202 V203 D204 F261S202-K259 WeakPolarHBondContact O-CE 3.36Å; V203-K259 WeakPolarHBondContact O-CB 3.47Å; V203-K259 WeakPolarHBondContact O-CG 3.23Å; V203-K259 PolarHBondContact O-N 3.45Å; D204-K259 VanDerWaalsContact OD1-CD 3.22Å; D204-K259 WeakPolarHBondContact OD1-CD 3.43Å; D204-K259 IonicContact OD1-NZ 2.78Å; D204-K259 PolarHBondContact OD1-NZ 3.41Å; D204-K259 IonicContact OD2-NZ 3.75Å; D204-K259 PolarHBondContact OD2-NZ 3.15Å; K259-F261 VanDerWaalsContact C-N 3.33Å
260R94.9Very high92.3Very high0 Ų064 Ų640%029%0.286CS..  trans-82.8-10.4-178.1-69.3-177.2178.6-82.18.4112.3V205 L258 K272 L273 Y275 Y347 G360 Y361V205-R260 HydrophobicContact CG2-CG 4.22Å; L258-R260 HydrophobicContact CB-CG 4.08Å; L258-R260 PolarHBondContact O-N 2.98Å; R260-K272 CarbonylContact O-C 3.55Å; R260-K272 VanDerWaalsContact O-CA 3.29Å; R260-K272 WeakPolarHBondContact O-CA 3.43Å; R260-L273 PolarHBondContact NH1-O 3.01Å; R260-L273 VanDerWaalsContact NH1-O 3.08Å; R260-L273 WeakPolarHBondContact O-CB 3.43Å; R260-L273 WeakPolarHBondContact O-CG 3.19Å; R260-L273 PolarHBondContact O-N 3Å; R260-Y275 PolarHBondContact NH1-O 3.33Å; R260-Y275 PolarHBondContact NH2-O 2.91Å; R260-Y347 PolarHBondContact NH2-O 2.82Å; R260-G360 PolarHBondContact NE-O 3.19Å; R260-Y361 HydrophobicContact CB-CD2 4.39Å
261F91.9Very high92.1Very high31 Ų3164.3 Ų64.314%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-101.7113.9175-58.6-60.6000110.1K259 T271 K272 H307 P312 Y361K259-F261 VanDerWaalsContact C-N 3.33Å; F261-T271 WeakPolarHBondContact CA-O 3.35Å; F261-K272 HydrophobicContact CD1-CB 4.11Å; F261-K272 HydrophobicContact CD1-CG 4.3Å; F261-K272 HydrophobicContact CE1-CB 3.93Å; F261-K272 HydrophobicContact CE1-CD 4.45Å; F261-K272 HydrophobicContact CE1-CG 3.89Å; F261-H307 AromaticContact CZ-CE1 3.94Å; F261-H307 AromaticContact CZ-ND1 3.92Å; F261-P312 HydrophobicContact CD1-CB 3.68Å; F261-P312 HydrophobicContact CD1-CG 4.13Å; F261-P312 HydrophobicContact CD2-CB 4.31Å; F261-P312 HydrophobicContact CE1-CB 3.74Å; F261-P312 HydrophobicContact CE1-CG 4.47Å; F261-P312 HydrophobicContact CE2-CB 4.36Å; F261-P312 HydrophobicContact CG-CB 3.98Å; F261-P312 HydrophobicContact CZ-CB 4.09Å; F261-Y361 AromaticContact CD2-CE2 3.73Å; F261-Y361 HydrophobicContact CD2-CE2 3.73Å; F261-Y361 AromaticContact CD2-CZ 3.8Å; F261-Y361 VanDerWaalsContact CD2-OH 3.32Å; F261-Y361 WeakPolarHBondContact CD2-OH 3.31Å; F261-Y361 HydrophobicContact CE2-CD2 4.27Å; F261-Y361 HydrophobicContact CE2-CE1 4.25Å; F261-Y361 AromaticContact CE2-CE2 3.47Å; F261-Y361 HydrophobicContact CE2-CE2 3.47Å; F261-Y361 VanDerWaalsContact CE2-CE2 3.47Å; F261-Y361 AromaticContact CE2-CZ 3.46Å; F261-Y361 VanDerWaalsContact CE2-CZ 3.46Å; F261-Y361 WeakPolarHBondContact CE2-OH 3.2Å; F261-Y361 HydrophobicContact CZ-CE2 4.42Å
262K88.9Confident92Very high121 Ų12165 Ų6553%0.52629%0.291SS..EExtended strand (participates in β ladder)trans-119.2130.4179.1-173.4171.8-178.4172.90110.1M264 T271 L273K262-M264 PolarHBondContact O-N 3.28Å; K262-T271 PolarHBondContact N-O 3.38Å; K262-T271 PolarHBondContact O-N 3.43Å; K262-T271 PolarHBondContact O-OG1 3.14Å; K262-L273 HydrophobicContact CB-CD1 4.1Å; K262-L273 HydrophobicContact CB-CD2 4.27Å; K262-L273 HydrophobicContact CB-CG 4.23Å; K262-L273 HydrophobicContact CD-CD1 4.47Å
263Y87.7Confident91.8Very high102 Ų10262.3 Ų62.340%0.428%0.278SS..EExtended strand (participates in β ladder)trans-70.6122.7170.9-171.8-102.6000109.4E265 H268 Y270Y263-E265 HydrophobicContact CD1-CG 4.28Å; Y263-E265 HydrophobicContact CE1-CG 4.21Å; Y263-H268 WeakPolarHBondContact OH-CA 3.46Å; Y263-Y270 AromaticContact CD2-CD2 3.9Å; Y263-Y270 HydrophobicContact CD2-CD2 3.9Å; Y263-Y270 HydrophobicContact CD2-CE1 4.44Å; Y263-Y270 AromaticContact CD2-CE2 3.8Å; Y263-Y270 HydrophobicContact CD2-CE2 3.8Å; Y263-Y270 HydrophobicContact CD2-CG 4.27Å
264M85Confident91.6Very high60 Ų6062.5 Ų62.530%0.29628%0.279SS..EExtended strand (participates in β ladder)trans-103.4106177.8-67.6-68.9-16200108.6K262 Q266 L267 H268 R269 T271 L273K262-M264 PolarHBondContact O-N 3.28Å; M264-Q266 PolarHBondContact O-N 3.34Å; M264-L267 HydrophobicContact CB-CB 4.23Å; M264-L267 HydrophobicContact CB-CD1 4.38Å; M264-L267 HydrophobicContact CB-CG 4.45Å; M264-L267 CarbonylContact O-C 3.49Å; M264-L267 PolarHBondContact O-N 2.76Å; M264-H268 PolarHBondContact O-N 2.92Å; M264-R269 PolarHBondContact N-O 3.15Å; M264-T271 HydrophobicContact CB-CG2 4.24Å; M264-T271 WeakPolarHBondContact CE-OG1 3.32Å; M264-T271 HydrophobicContact CG-CG2 3.68Å; M264-T271 WeakPolarHBondContact CG-OG1 3.16Å; M264-L273 HydrophobicContact CE-CD2 4.33Å
265E87.9Confident91.5Very high156 Ų15664.8 Ų64.873%0.72929%0.288SS*.G310 helixtrans-55.5-41.2-179.7-66.8-175.7171.400112.1Y263 L267 H268Y263-E265 HydrophobicContact CD1-CG 4.28Å; Y263-E265 HydrophobicContact CE1-CG 4.21Å; E265-L267 PolarHBondContact O-N 3.43Å; E265-L267 VanDerWaalsContact O-N 3.15Å; E265-H268 PolarHBondContact O-CE1 3.01Å; E265-H268 VanDerWaalsContact O-CE1 3.28Å; E265-H268 PolarHBondContact O-N 3.33Å; E265-H268 VanDerWaalsContact O-N 3.15Å; E265-H268 PolarHBondContact O-ND1 2.92Å; E265-H268 VanDerWaalsContact O-ND1 3.1Å
266Q89.4Confident91.4Very high183 Ų18368.5 Ų68.586%0.85530%0.302SS*.G310 helixtrans-56.9-33178.1-63.3175.4-7.100113.1M264M264-Q266 PolarHBondContact O-N 3.34Å
267L86.1Confident91.4Very high93 Ų9368.5 Ų68.549%0.48730%0.302SS..G310 helixtrans-105-3-176.9-60.6176.1000112.9M264 E265 R269 T271M264-L267 HydrophobicContact CB-CB 4.23Å; M264-L267 HydrophobicContact CB-CD1 4.38Å; M264-L267 HydrophobicContact CB-CG 4.45Å; M264-L267 CarbonylContact O-C 3.49Å; M264-L267 PolarHBondContact O-N 2.76Å; E265-L267 PolarHBondContact O-N 3.43Å; E265-L267 VanDerWaalsContact O-N 3.15Å; L267-R269 HydrophobicContact CB-CG 3.86Å; L267-R269 PolarHBondContact O-N 2.82Å; L267-R269 VanDerWaalsContact O-N 3.15Å; L267-T271 HydrophobicContact CD1-CG2 4.12Å
268H88.1Confident91.4Very high150 Ų15069.4 Ų69.469%0.69431%0.308SS*.THydrogen-bonded Turntrans48.337.2-175.1-61.974.4000113.4Y263 M264 E265Y263-H268 WeakPolarHBondContact OH-CA 3.46Å; M264-H268 PolarHBondContact O-N 2.92Å; E265-H268 PolarHBondContact O-CE1 3.01Å; E265-H268 VanDerWaalsContact O-CE1 3.28Å; E265-H268 PolarHBondContact O-N 3.33Å; E265-H268 VanDerWaalsContact O-N 3.15Å; E265-H268 PolarHBondContact O-ND1 2.92Å; E265-H268 VanDerWaalsContact O-ND1 3.1Å
269R86.3Confident91.4Very high136 Ų13669.4 Ų69.451%0.51331%0.308SS..EExtended strand (participates in β ladder)trans-154.6159.7-178.370.3-174.817989.1-3.2112.5M264 L267 T271M264-R269 PolarHBondContact N-O 3.15Å; L267-R269 HydrophobicContact CB-CG 3.86Å; L267-R269 PolarHBondContact O-N 2.82Å; L267-R269 VanDerWaalsContact O-N 3.15Å; R269-T271 HydrophobicContact CG-CG2 4.45Å
270Y85.2Confident91.5Very high133 Ų13367.5 Ų67.552%0.52230%0.304SS..EExtended strand (participates in β ladder)trans-72141.3167.4-72.9-87.9000111.6Y263Y263-Y270 AromaticContact CD2-CD2 3.9Å; Y263-Y270 HydrophobicContact CD2-CD2 3.9Å; Y263-Y270 HydrophobicContact CD2-CE1 4.44Å; Y263-Y270 AromaticContact CD2-CE2 3.8Å; Y263-Y270 HydrophobicContact CD2-CE2 3.8Å; Y263-Y270 HydrophobicContact CD2-CG 4.27Å
271T88.1Confident91.6Very high18 Ų1870.5 Ų70.511%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-127.5143.8175.160.60000109.7F261 K262 M264 L267 R269F261-T271 WeakPolarHBondContact CA-O 3.35Å; K262-T271 PolarHBondContact N-O 3.38Å; K262-T271 PolarHBondContact O-N 3.43Å; K262-T271 PolarHBondContact O-OG1 3.14Å; M264-T271 HydrophobicContact CB-CG2 4.24Å; M264-T271 WeakPolarHBondContact CE-OG1 3.32Å; M264-T271 HydrophobicContact CG-CG2 3.68Å; M264-T271 WeakPolarHBondContact CG-OG1 3.16Å; L267-T271 HydrophobicContact CD1-CG2 4.12Å; R269-T271 HydrophobicContact CG-CG2 4.45Å
272K92.2Very high91.8Very high16 Ų1674.2 Ų74.27%0.0734%0.337CS..EExtended strand (participates in β ladder)trans-81.4130.5171.5-171.1-169.8-179.6-169.30109.8R260 F261 S274 H307 G309 S310 S357R260-K272 CarbonylContact O-C 3.55Å; R260-K272 VanDerWaalsContact O-CA 3.29Å; R260-K272 WeakPolarHBondContact O-CA 3.43Å; F261-K272 HydrophobicContact CD1-CB 4.11Å; F261-K272 HydrophobicContact CD1-CG 4.3Å; F261-K272 HydrophobicContact CE1-CB 3.93Å; F261-K272 HydrophobicContact CE1-CD 4.45Å; F261-K272 HydrophobicContact CE1-CG 3.89Å; K272-S274 PolarHBondContact O-N 3.07Å; K272-H307 WeakPolarHBondContact CE-ND1 3.29Å; K272-H307 PolarHBondContact NZ-ND1 3.37Å; K272-H307 PolarHBondContact NZ-O 3.08Å; K272-G309 WeakPolarHBondContact CD-O 3.43Å; K272-G309 WeakPolarHBondContact CE-O 3.03Å; K272-G309 PolarHBondContact NZ-O 2.69Å; K272-S310 VanDerWaalsContact CB-O 3.3Å; K272-S310 WeakPolarHBondContact CB-O 3.04Å; K272-S357 PolarHBondContact NZ-O 3.46Å; K272-S357 PolarHBondContact NZ-OG 3.43Å
273L92.8Very high92.1Very high14 Ų1468.5 Ų68.57%0.07331%0.312CS..  trans-84.793.5168.2-53.3-179.3000108V205 R260 K262 M264 Y275V205-L273 HydrophobicContact CG2-CB 4.45Å; V205-L273 HydrophobicContact CG2-CD1 4.05Å; R260-L273 PolarHBondContact NH1-O 3.01Å; R260-L273 VanDerWaalsContact NH1-O 3.08Å; R260-L273 WeakPolarHBondContact O-CB 3.43Å; R260-L273 WeakPolarHBondContact O-CG 3.19Å; R260-L273 PolarHBondContact O-N 3Å; K262-L273 HydrophobicContact CB-CD1 4.1Å; K262-L273 HydrophobicContact CB-CD2 4.27Å; K262-L273 HydrophobicContact CB-CG 4.23Å; K262-L273 HydrophobicContact CD-CD1 4.47Å; M264-L273 HydrophobicContact CE-CD2 4.33Å; L273-Y275 HydrophobicContact CB-CD2 3.85Å; L273-Y275 HydrophobicContact CB-CE2 3.9Å; L273-Y275 HydrophobicContact CB-CG 4.16Å; L273-Y275 HydrophobicContact CD1-CD2 4.26Å; L273-Y275 HydrophobicContact CD1-CE2 3.82Å; L273-Y275 HydrophobicContact CD2-CE1 4.49Å; L273-Y275 HydrophobicContact CD2-CE2 3.97Å; L273-Y275 HydrophobicContact CG-CE2 4.1Å; L273-Y275 PolarHBondContact O-N 2.97Å
274S93.6Very high92.3Very high3 Ų370 Ų702%0.02132%0.318CS..  trans-72.526.9174.9-60.40000113.1K272 L349 I353 S357K272-S274 PolarHBondContact O-N 3.07Å; S274-L349 PolarHBondContact O-N 2.99Å; S274-I353 WeakPolarHBondContact CB-O 3.32Å; S274-I353 PolarHBondContact OG-O 3.4Å; S274-S357 VanDerWaalsContact CB-OG 3.3Å; S274-S357 WeakPolarHBondContact CB-OG 3.33Å; S274-S357 PolarHBondContact OG-OG 3.27Å
275Y95.4Very high92.4Very high52 Ų5268.1 Ų68.120%0.20431%0.309CS..BIsolated β-bridgetrans-64.1145.6-173.1-65-21.3000112.5V205 Q207 R260 L273 V277 Y347 I353V205-Y275 HydrophobicContact CG2-CD2 4.29Å; Q207-Y275 HydrophobicContact CB-CD1 4.05Å; Q207-Y275 HydrophobicContact CB-CE1 4.4Å; Q207-Y275 HydrophobicContact CB-CG 4.21Å; Q207-Y275 VanDerWaalsContact OE1-CB 3.23Å; R260-Y275 PolarHBondContact NH1-O 3.33Å; R260-Y275 PolarHBondContact NH2-O 2.91Å; L273-Y275 HydrophobicContact CB-CD2 3.85Å; L273-Y275 HydrophobicContact CB-CE2 3.9Å; L273-Y275 HydrophobicContact CB-CG 4.16Å; L273-Y275 HydrophobicContact CD1-CD2 4.26Å; L273-Y275 HydrophobicContact CD1-CE2 3.82Å; L273-Y275 HydrophobicContact CD2-CE1 4.49Å; L273-Y275 HydrophobicContact CD2-CE2 3.97Å; L273-Y275 HydrophobicContact CG-CE2 4.1Å; L273-Y275 PolarHBondContact O-N 2.97Å; Y275-V277 PolarHBondContact O-N 3.32Å; Y275-Y347 VanDerWaalsContact O-O 3.11Å; Y275-I353 HydrophobicContact CD1-CG2 4.24Å; Y275-I353 HydrophobicContact CE1-CD1 3.89Å
276R97.1Very high92Very high78 Ų7866.4 Ų66.429%0.29430%0.299SS..  trans-72.9111.9171.6-175175.2179.5-82.5-2.1109.9N208 T209 V278 Y347 L349 T350N208-R276 CarbonylContact C-O 3.51Å; N208-R276 VanDerWaalsContact CA-O 3.23Å; N208-R276 WeakPolarHBondContact CA-O 3.24Å; N208-R276 PolarHBondContact N-O 3.07Å; N208-R276 VanDerWaalsContact N-O 3.1Å; T209-R276 PolarHBondContact N-O 3.1Å; T209-R276 VanDerWaalsContact N-O 3.07Å; R276-V278 VanDerWaalsContact NH1-CG2 3.27Å; R276-Y347 CarbonylContact C-O 3.57Å; R276-Y347 WeakPolarHBondContact CA-O 3.47Å; R276-L349 PolarHBondContact N-O 3.26Å; R276-T350 WeakPolarHBondContact CD-OG1 3.46Å
277V97.8Very high91.2Very high0 Ų059 Ų590%027%0.265CS..EExtended strand (participates in β ladder)trans-124.5109.7176.8-1750000108.3V205 T209 I211 L258 Y275 Y347V205-V277 HydrophobicContact CB-CG2 3.93Å; V205-V277 HydrophobicContact CG1-CG2 3.91Å; T209-V277 HydrophobicContact CG2-CB 4.36Å; T209-V277 HydrophobicContact CG2-CG1 4.02Å; T209-V277 HydrophobicContact CG2-CG2 3.95Å; T209-V277 WeakPolarHBondContact O-CA 3.27Å; I211-V277 HydrophobicContact CD1-CG1 3.66Å; I211-V277 HydrophobicContact CG1-CG1 4.3Å; L258-V277 HydrophobicContact CD1-CB 4.31Å; L258-V277 HydrophobicContact CD1-CG1 4.08Å; Y275-V277 PolarHBondContact O-N 3.32Å; V277-Y347 PolarHBondContact N-O 2.65Å
278V98.1Very high90.3Very high35 Ų3556.9 Ų56.921%0.21226%0.256CS..EExtended strand (participates in β ladder)trans-78.2126.1179.81790000110.1T209 S210 I211 R276 Y347T209-V278 PolarHBondContact O-N 3.47Å; S210-V278 CarbonylContact C-O 3.53Å; S210-V278 WeakPolarHBondContact CA-O 3.46Å; I211-V278 PolarHBondContact N-O 3.33Å; R276-V278 VanDerWaalsContact NH1-CG2 3.27Å; V278-Y347 HydrophobicContact CB-CD2 4.4Å; V278-Y347 HydrophobicContact CB-CE2 4.39Å; V278-Y347 HydrophobicContact CG1-CD2 4.34Å; V278-Y347 HydrophobicContact CG1-CE1 4.5Å; V278-Y347 HydrophobicContact CG1-CE2 3.84Å; V278-Y347 HydrophobicContact CG2-CD2 3.96Å; V278-Y347 HydrophobicContact CG2-CE2 4.23Å; V278-Y347 HydrophobicContact CG2-CG 4.43Å
279F97.6Very high89.3Confident0 Ų050.6 Ų50.60%023%0.229CC..  trans-115.5118.5171.246.1-95000110.3I211 L301 V304 I343 F346 Y347 L363I211-F279 HydrophobicContact CG1-CB 3.55Å; F279-L301 HydrophobicContact CD2-CD2 3.88Å; F279-L301 HydrophobicContact CE2-CD2 4.2Å; F279-V304 HydrophobicContact CD2-CG2 4.42Å; F279-V304 HydrophobicContact CE2-CG1 4.45Å; F279-V304 HydrophobicContact CE2-CG2 3.88Å; F279-V304 HydrophobicContact CZ-CG1 4.18Å; F279-V304 HydrophobicContact CZ-CG2 4.43Å; F279-I343 HydrophobicContact CD2-CG2 4.4Å; F279-I343 HydrophobicContact CE2-CG2 3.49Å; F279-I343 VanDerWaalsContact CE2-CG2 3.49Å; F279-I343 HydrophobicContact CZ-CG2 4.18Å; F279-F346 HydrophobicContact CZ-CB 4.18Å; F279-Y347 AromaticContact CD1-CD1 3.72Å; F279-Y347 HydrophobicContact CD1-CD1 3.72Å; F279-Y347 AromaticContact CD1-CE1 3.94Å; F279-Y347 HydrophobicContact CD1-CE1 3.94Å; F279-Y347 HydrophobicContact CD2-CD1 4.33Å; F279-Y347 AromaticContact CD2-CE1 3.77Å; F279-Y347 HydrophobicContact CD2-CE1 3.77Å; F279-Y347 AromaticContact CE1-CD1 3.5Å; F279-Y347 HydrophobicContact CE1-CD1 3.5Å; F279-Y347 VanDerWaalsContact CE1-CD1 3.5Å; F279-Y347 AromaticContact CE1-CE1 3.94Å; F279-Y347 HydrophobicContact CE1-CE1 3.94Å; F279-Y347 HydrophobicContact CE2-CD1 4.13Å; F279-Y347 AromaticContact CE2-CE1 3.76Å; F279-Y347 HydrophobicContact CE2-CE1 3.76Å; F279-Y347 HydrophobicContact CG-CD1 4.13Å; F279-Y347 AromaticContact CG-CE1 3.85Å; F279-Y347 HydrophobicContact CG-CE1 3.85Å; F279-Y347 AromaticContact CZ-CD1 3.7Å; F279-Y347 HydrophobicContact CZ-CD1 3.7Å; F279-Y347 AromaticContact CZ-CE1 3.84Å; F279-Y347 HydrophobicContact CZ-CE1 3.84Å; F279-Y347 WeakPolarHBondContact O-CE1 3.34Å; F279-Y347 PolarHBondContact O-OH 3.31Å; F279-L363 HydrophobicContact CB-CD1 3.56Å; F279-L363 HydrophobicContact CB-CD2 4.37Å; F279-L363 HydrophobicContact CD1-CD1 4.18Å; F279-L363 HydrophobicContact CD1-CD2 3.89Å; F279-L363 HydrophobicContact CD2-CD2 4.09Å; F279-L363 HydrophobicContact CE1-CD2 4.11Å; F279-L363 HydrophobicContact CE2-CD2 4.32Å; F279-L363 HydrophobicContact CG-CD1 3.95Å; F279-L363 HydrophobicContact CG-CD2 3.88Å; F279-L363 HydrophobicContact CZ-CD2 4.34Å
280P97.2Very high88.1Confident37 Ų3747.4 Ų47.424%0.2424%0.238CC..  trans-75.4152.7-176.533-36.9000111.1E282 L283 Y365P280-E282 VanDerWaalsContact CB-O 3.31Å; P280-E282 WeakPolarHBondContact CB-O 3.19Å; P280-E282 WeakPolarHBondContact CG-O 3.43Å; P280-E282 PolarHBondContact O-N 2.81Å; P280-L283 HydrophobicContact CG-CB 4.36Å; P280-L283 HydrophobicContact CG-CD1 3.94Å; P280-Y365 WeakPolarHBondContact CD-OH 3.43Å; P280-Y365 VanDerWaalsContact O-CE1 3.31Å; P280-Y365 WeakPolarHBondContact O-CE1 3.22Å; P280-Y365 PolarHBondContact O-OH 3.41Å
281L97.1Very high87.2Confident63 Ų6347.9 Ų47.933%0.3325%0.25SC..SBendtrans-67-26174.8-58.4-174.9000112.5L301 W327 I343L281-L301 HydrophobicContact CD2-CD2 3.97Å; L281-L301 PolarHBondContact O-N 2.95Å; L281-W327 HydrophobicContact CD2-CH2 4.43Å; L281-W327 HydrophobicContact CD2-CZ2 3.86Å; L281-I343 HydrophobicContact CD2-CD1 4.01Å
282E96.8Very high86Confident108 Ų10848.2 Ų48.251%0.50525%0.254SS..EExtended strand (participates in β ladder)trans-125.1130.1175.3-53.3-172.1-170.100108.8P280 M298 Y299 R368P280-E282 VanDerWaalsContact CB-O 3.31Å; P280-E282 WeakPolarHBondContact CB-O 3.19Å; P280-E282 WeakPolarHBondContact CG-O 3.43Å; P280-E282 PolarHBondContact O-N 2.81Å; E282-M298 HydrophobicContact CB-CE 4.4Å; E282-Y299 CarbonylContact C-O 3.58Å; E282-Y299 WeakPolarHBondContact CA-O 3.21Å; E282-R368 IonicContact OE1-NH2 3.59Å; E282-R368 PolarHBondContact OE1-NH2 2.96Å; E282-R368 IonicContact OE2-CZ 3.29Å; E282-R368 IonicContact OE2-NH1 2.89Å; E282-R368 IonicContact OE2-NH2 3.68Å; E282-R368 PolarHBondContact OE2-NH2 2.76Å
283L95.1Very high84.6Confident1 Ų154.4 Ų54.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-125.1122.1-176.1-176.467.7000109.6I211 L215 L256 P280 L285 Y299 Y365I211-L283 HydrophobicContact CG2-CD1 4.48Å; I211-L283 HydrophobicContact CG2-CD2 4.19Å; L215-L283 HydrophobicContact CD1-CD2 3.94Å; L256-L283 HydrophobicContact CD1-CD2 4.32Å; P280-L283 HydrophobicContact CG-CB 4.36Å; P280-L283 HydrophobicContact CG-CD1 3.94Å; L283-L285 HydrophobicContact CD1-CD2 4.27Å; L283-L285 HydrophobicContact CD2-CD1 4.03Å; L283-L285 HydrophobicContact CD2-CD2 4.01Å; L283-L285 HydrophobicContact CD2-CG 4.04Å; L283-L285 HydrophobicContact CG-CD2 3.96Å; L283-L285 HydrophobicContact CG-CG 4Å; L283-Y299 PolarHBondContact N-O 3.04Å; L283-Y299 PolarHBondContact O-N 3.33Å; L283-Y365 HydrophobicContact CB-CD1 3.84Å; L283-Y365 HydrophobicContact CB-CE1 3.58Å; L283-Y365 HydrophobicContact CD2-CD1 4.28Å; L283-Y365 HydrophobicContact CD2-CD2 4.13Å; L283-Y365 HydrophobicContact CD2-CE1 4.22Å; L283-Y365 HydrophobicContact CD2-CE2 4.06Å; L283-Y365 HydrophobicContact CD2-CG 4.23Å
284R91.6Very high83.4Confident135 Ų13557.6 Ų57.651%0.50931%0.311SS..EExtended strand (participates in β ladder)trans-96.3119.6172.2-170.5172.8-173.4179.92.9109.1F286 D296 M298R284-F286 HydrophobicContact CG-CE2 4.39Å; R284-F286 HydrophobicContact CG-CZ 4.26Å; R284-D296 IonicContact CZ-OD2 3.08Å; R284-D296 IonicContact NE-OD2 3.58Å; R284-D296 PolarHBondContact NE-OD2 3.19Å; R284-D296 IonicContact NH2-OD2 3.93Å; R284-D296 PolarHBondContact NH2-OD2 2.92Å; R284-M298 HydrophobicContact CB-CE 4.4Å; R284-M298 HydrophobicContact CB-SD 3.51Å; R284-M298 VanDerWaalsContact CB-SD 3.51Å; R284-M298 HydrophobicContact CG-SD 3.56Å; R284-M298 VanDerWaalsContact CG-SD 3.56Å
285L87.4Confident82.4Confident20 Ų2064.4 Ų64.411%0.10535%0.346CS..EExtended strand (participates in β ladder)trans-115.1135.4175.5-63.8179.5000110.5L215 L250 L254 L283 D296 R297 Y299L215-L285 HydrophobicContact CB-CD2 4.48Å; L215-L285 HydrophobicContact CD1-CD1 4.22Å; L215-L285 HydrophobicContact CD1-CD2 3.48Å; L215-L285 VanDerWaalsContact CD1-CD2 3.48Å; L215-L285 HydrophobicContact CD1-CG 4.48Å; L250-L285 HydrophobicContact CD1-CB 4Å; L250-L285 HydrophobicContact CD2-CB 4.32Å; L250-L285 HydrophobicContact CD2-CD1 3.94Å; L254-L285 HydrophobicContact CD2-CD1 3.24Å; L283-L285 HydrophobicContact CD1-CD2 4.27Å; L283-L285 HydrophobicContact CD2-CD1 4.03Å; L283-L285 HydrophobicContact CD2-CD2 4.01Å; L283-L285 HydrophobicContact CD2-CG 4.04Å; L283-L285 HydrophobicContact CG-CD2 3.96Å; L283-L285 HydrophobicContact CG-CG 4Å; L285-D296 CarbonylContact O-C 3.53Å; L285-D296 WeakPolarHBondContact O-CA 3.38Å; L285-D296 WeakPolarHBondContact O-CB 3.47Å; L285-R297 PolarHBondContact N-O 2.87Å; L285-R297 PolarHBondContact O-N 2.96Å; L285-Y299 HydrophobicContact CB-CE2 4.48Å; L285-Y299 HydrophobicContact CD1-CD2 4.22Å; L285-Y299 HydrophobicContact CD1-CE2 4.12Å; L285-Y299 HydrophobicContact CG-CD2 4.45Å
286F79.8Confident81.8Confident119 Ų11964.4 Ų64.452%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-94.1136.5174.2-61.2-85.6000108.3R284 T288 L295 D296R284-F286 HydrophobicContact CG-CE2 4.39Å; R284-F286 HydrophobicContact CG-CZ 4.26Å; F286-T288 PolarHBondContact O-N 3.09Å; F286-L295 WeakPolarHBondContact CA-O 3.47Å; F286-D296 HydrophobicContact CD1-CB 3.68Å; F286-D296 HydrophobicContact CE1-CB 3.94Å; F286-D296 HydrophobicContact CG-CB 4.4Å
287N71.8Confident81.4Confident28 Ų2863.4 Ų63.415%0.1535%0.346CS..  trans-67.6123.8163.8-82.6-47.3000107.4L250 A292 N294 L295L250-N287 WeakPolarHBondContact CD1-OD1 3.36Å; L250-N287 WeakPolarHBondContact CG-OD1 3.33Å; N287-A292 HydrophobicContact CB-CB 3.27Å; N287-N294 PolarHBondContact ND2-O 3.04Å; N287-L295 PolarHBondContact N-O 3.44Å
288T68.1Low81.3Confident49 Ų4966 Ų6630%0.30136%0.358SS..  trans-90.4-10.2-177.357.50000111.7R246 V247 F286R246-T288 WeakPolarHBondContact CA-OG1 3.38Å; R246-T288 WeakPolarHBondContact CB-OG1 3.43Å; R246-T288 PolarHBondContact NE-O 2.98Å; R246-T288 PolarHBondContact NH2-O 2.89Å; V247-T288 PolarHBondContact N-OG1 3.43Å; V247-T288 PolarHBondContact O-N 3Å; V247-T288 VanDerWaalsContact O-N 3.14Å; F286-T288 PolarHBondContact O-N 3.09Å
289S66.1Low81.2Confident17 Ų1764.3 Ų64.312%0.11935%0.348CS..SBendtrans-78.2138.9170.8-176.80000112.2V247 D291 A292V247-S289 PolarHBondContact O-N 2.94Å; S289-D291 PolarHBondContact O-N 3.13Å; S289-A292 WeakPolarHBondContact O-CB 3.3Å; S289-A292 PolarHBondContact O-N 2.9Å
290G60.5Low81.2Confident69 Ų6965.8 Ų65.871%0.71136%0.356SS*.THydrogen-bonded Turntrans-68.4-1817900000114.3
291D67.6Low81.3Confident143 Ų14364 Ų6477%0.76535%0.345SS*.THydrogen-bonded Turntrans-98.512.9-177.4-53.2-32.2000112.7S289S289-D291 PolarHBondContact O-N 3.13Å
292A62.9Low81.4Confident25 Ų2561.8 Ų61.821%0.20733%0.333CS..  trans-75133.7-175.900000112.3N287 S289 N294N287-A292 HydrophobicContact CB-CB 3.27Å; S289-A292 WeakPolarHBondContact O-CB 3.3Å; S289-A292 PolarHBondContact O-N 2.9Å; A292-N294 PolarHBondContact O-N 2.72Å
293V62.3Low81.5Confident147 Ų14756.6 Ų56.689%0.89131%0.309SS*.SBendtrans-65.3-37.9-177.4-177.80000112.3
294N67.8Low81.6Confident81 Ų8156.6 Ų56.643%0.43331%0.309SS..SBendtrans-114.4134.1174-72.7-19.6000109.2N287 A292 D296N287-N294 PolarHBondContact ND2-O 3.04Å; A292-N294 PolarHBondContact O-N 2.72Å; N294-D296 VanDerWaalsContact C-N 3.33Å; N294-D296 PolarHBondContact O-N 2.81Å
295L73.4Confident82Confident145 Ų14550.1 Ų50.176%0.75929%0.285SS*.SBendtrans-70.1-32.8-177.9-71.2166.1000112.2F286 N287F286-L295 WeakPolarHBondContact CA-O 3.47Å; N287-L295 PolarHBondContact N-O 3.44Å
296D81.3Confident82.5Confident52 Ų5249.2 Ų49.228%0.27828%0.28SS..EExtended strand (participates in β ladder)trans-151.2163.8-179.466.6-40.7000112.1R284 L285 F286 N294R284-D296 IonicContact CZ-OD2 3.08Å; R284-D296 IonicContact NE-OD2 3.58Å; R284-D296 PolarHBondContact NE-OD2 3.19Å; R284-D296 IonicContact NH2-OD2 3.93Å; R284-D296 PolarHBondContact NH2-OD2 2.92Å; L285-D296 CarbonylContact O-C 3.53Å; L285-D296 WeakPolarHBondContact O-CA 3.38Å; L285-D296 WeakPolarHBondContact O-CB 3.47Å; F286-D296 HydrophobicContact CD1-CB 3.68Å; F286-D296 HydrophobicContact CE1-CB 3.94Å; F286-D296 HydrophobicContact CG-CB 4.4Å; N294-D296 VanDerWaalsContact C-N 3.33Å; N294-D296 PolarHBondContact O-N 2.81Å
297R89.8Confident83.4Confident57 Ų5743.5 Ų43.522%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-142.2134.7177.1-172.2174.7-111.4168.5-0.2110L250 P251 L285 Y299 E369L250-R297 HydrophobicContact CD1-CB 4.07Å; L250-R297 PolarHBondContact O-NH1 3.39Å; P251-R297 PolarHBondContact O-NH1 2.89Å; L285-R297 PolarHBondContact N-O 2.87Å; L285-R297 PolarHBondContact O-N 2.96Å; R297-Y299 HydrophobicContact CB-CD2 4.46Å; R297-Y299 HydrophobicContact CB-CE2 3.86Å; R297-Y299 VanDerWaalsContact CD-OH 3.22Å; R297-Y299 WeakPolarHBondContact CD-OH 3.49Å; R297-Y299 HydrophobicContact CG-CD2 4.2Å; R297-Y299 HydrophobicContact CG-CE2 3.65Å; R297-E369 VanDerWaalsContact CZ-O 3.24Å; R297-E369 PolarHBondContact NE-O 2.77Å; R297-E369 PolarHBondContact NH2-O 3.48Å
298M94.6Very high84.5Confident54 Ų5442.9 Ų42.927%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-89.8133.5172.8-68.7-61.7-60.100109.8E282 R284 S367 R368E282-M298 HydrophobicContact CB-CE 4.4Å; R284-M298 HydrophobicContact CB-CE 4.4Å; R284-M298 HydrophobicContact CB-SD 3.51Å; R284-M298 VanDerWaalsContact CB-SD 3.51Å; R284-M298 HydrophobicContact CG-SD 3.56Å; R284-M298 VanDerWaalsContact CG-SD 3.56Å; M298-S367 WeakPolarHBondContact O-CA 3.45Å; M298-R368 HydrophobicContact CB-CG 4.35Å; M298-R368 PolarHBondContact O-N 3Å
299Y97.1Very high85.5Confident0 Ų040.8 Ų40.80%024%0.241CC..EExtended strand (participates in β ladder)trans-121.6144.5175-72-96.8000110.9L250 P251 L254 E282 L283 L285 R297 Y365 Q366 S367L250-Y299 WeakPolarHBondContact CB-OH 3.4Å; L250-Y299 HydrophobicContact CD1-CE2 4.42Å; L250-Y299 HydrophobicContact CD2-CE2 4.43Å; P251-Y299 PolarHBondContact O-OH 3.26Å; L254-Y299 HydrophobicContact CB-CD1 4.26Å; L254-Y299 HydrophobicContact CB-CE1 3.87Å; E282-Y299 CarbonylContact C-O 3.58Å; E282-Y299 WeakPolarHBondContact CA-O 3.21Å; L283-Y299 PolarHBondContact N-O 3.04Å; L283-Y299 PolarHBondContact O-N 3.33Å; L285-Y299 HydrophobicContact CB-CE2 4.48Å; L285-Y299 HydrophobicContact CD1-CD2 4.22Å; L285-Y299 HydrophobicContact CD1-CE2 4.12Å; L285-Y299 HydrophobicContact CG-CD2 4.45Å; R297-Y299 HydrophobicContact CB-CD2 4.46Å; R297-Y299 HydrophobicContact CB-CE2 3.86Å; R297-Y299 VanDerWaalsContact CD-OH 3.22Å; R297-Y299 WeakPolarHBondContact CD-OH 3.49Å; R297-Y299 HydrophobicContact CG-CD2 4.2Å; R297-Y299 HydrophobicContact CG-CE2 3.65Å; Y299-Y365 WeakPolarHBondContact CD1-O 3.39Å; Y299-Q366 CarbonylContact C-O 3.52Å; Y299-Q366 VanDerWaalsContact CA-O 3.29Å; Y299-Q366 WeakPolarHBondContact CA-O 3.47Å; Y299-Q366 VanDerWaalsContact CD1-C 3.45Å; Y299-S367 VanDerWaalsContact CD1-N 3.27Å
300D98.1Very high86.2Confident31 Ų3143.5 Ų43.517%0.16626%0.26CS..EExtended strand (participates in β ladder)trans-109.4135.4170.4-63.3-61.3000109.3V302 Y365 Q366 R368D300-V302 PolarHBondContact O-N 3.47Å; D300-Y365 CarbonylContact O-C 3.5Å; D300-Y365 WeakPolarHBondContact O-CA 3.3Å; D300-Q366 PolarHBondContact N-O 2.96Å; D300-Q366 PolarHBondContact O-N 3.24Å; D300-R368 IonicContact OD1-CZ 2.65Å; D300-R368 IonicContact OD1-NE 2.69Å; D300-R368 PolarHBondContact OD1-NE 3.02Å; D300-R368 IonicContact OD1-NH2 2.61Å; D300-R368 PolarHBondContact OD1-NH2 2.86Å; D300-R368 VanDerWaalsContact OD2-CG 3.23Å; D300-R368 WeakPolarHBondContact OD2-CG 2.89Å; D300-R368 IonicContact OD2-CZ 3.8Å; D300-R368 IonicContact OD2-NE 3.08Å; D300-R368 PolarHBondContact OD2-NE 3.16Å; D300-R368 IonicContact OD2-NH2 2.73Å
301L98.6Very high86.9Confident0 Ų040.8 Ų40.80%023%0.232CC..EExtended strand (participates in β ladder)trans-66.3124.7173.5-173.569000109F279 L281 V304 W327 L363 Y365F279-L301 HydrophobicContact CD2-CD2 3.88Å; F279-L301 HydrophobicContact CE2-CD2 4.2Å; L281-L301 HydrophobicContact CD2-CD2 3.97Å; L281-L301 PolarHBondContact O-N 2.95Å; L301-V304 HydrophobicContact CD1-CG2 3.9Å; L301-V304 HydrophobicContact CD2-CG2 3.74Å; L301-V304 HydrophobicContact CG-CG2 4.1Å; L301-W327 HydrophobicContact CB-CH2 4.2Å; L301-W327 HydrophobicContact CD2-CH2 3.97Å; L301-W327 HydrophobicContact CG-CH2 3.95Å; L301-W327 WeakPolarHBondContact O-CH2 3.43Å; L301-L363 HydrophobicContact CD1-CB 4.18Å; L301-Y365 HydrophobicContact CB-CD1 4.13Å; L301-Y365 HydrophobicContact CB-CE1 3.72Å; L301-Y365 HydrophobicContact CD1-CD1 4.33Å; L301-Y365 HydrophobicContact CD1-CD2 4.18Å; L301-Y365 HydrophobicContact CD1-CE1 3.98Å; L301-Y365 HydrophobicContact CD1-CE2 3.82Å; L301-Y365 HydrophobicContact CD1-CG 4.42Å; L301-Y365 HydrophobicContact CG-CE1 4.43Å
302V98.5Very high87Confident16 Ų1635 Ų3510%0.09720%0.202CC..EExtended strand (participates in β ladder)trans-114.8-29.3-179.2-64.80000113.2D300 V321 K322 F364 Q366D300-V302 PolarHBondContact O-N 3.47Å; V302-V321 WeakPolarHBondContact O-CA 3.28Å; V302-K322 PolarHBondContact O-N 3.16Å; V302-F364 HydrophobicContact CG2-CB 3.93Å; V302-F364 VanDerWaalsContact CG2-O 3.28Å; V302-F364 WeakPolarHBondContact CG2-O 3.17Å; V302-F364 PolarHBondContact N-O 3.14Å; V302-Q366 HydrophobicContact CG1-CB 3.63Å; V302-Q366 HydrophobicContact CG2-CB 4.14Å
303A98.8Very high87.5Confident0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-151.9153.3175.100000112.6A52 I320 V321 F364A52-A303 HydrophobicContact CB-CB 3.84Å; A303-I320 CarbonylContact C-O 3.44Å; A303-I320 WeakPolarHBondContact CA-O 3.37Å; A303-V321 HydrophobicContact CB-CG1 3.99Å; A303-F364 HydrophobicContact CB-CB 4.07Å; A303-F364 HydrophobicContact CB-CD2 4.14Å; A303-F364 HydrophobicContact CB-CG 4.38Å; A303-F364 PolarHBondContact N-O 3.44Å; A303-F364 PolarHBondContact O-N 3.34Å
304V98.8Very high88.4Confident0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-135.3118.4173.7178.90000108.4F279 L301 V306 T319 I320 I362 L363F279-V304 HydrophobicContact CD2-CG2 4.42Å; F279-V304 HydrophobicContact CE2-CG1 4.45Å; F279-V304 HydrophobicContact CE2-CG2 3.88Å; F279-V304 HydrophobicContact CZ-CG1 4.18Å; F279-V304 HydrophobicContact CZ-CG2 4.43Å; L301-V304 HydrophobicContact CD1-CG2 3.9Å; L301-V304 HydrophobicContact CD2-CG2 3.74Å; L301-V304 HydrophobicContact CG-CG2 4.1Å; V304-V306 HydrophobicContact CG1-CG2 3.75Å; V304-T319 CarbonylContact O-C 3.6Å; V304-T319 VanDerWaalsContact O-CA 3.3Å; V304-T319 WeakPolarHBondContact O-CA 3.31Å; V304-I320 HydrophobicContact CB-CB 4.34Å; V304-I320 PolarHBondContact N-O 3Å; V304-I320 PolarHBondContact O-N 3Å; V304-I362 CarbonylContact C-O 3.59Å; V304-I362 WeakPolarHBondContact CA-O 3.49Å; V304-L363 HydrophobicContact CB-CD2 4.34Å; V304-L363 HydrophobicContact CG1-CD2 3.77Å; V304-L363 HydrophobicContact CG2-CD2 3.88Å
305V98.8Very high89.4Confident0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-81.7126163.8176.30000107.5V49 A52 A121 Y317 Y361 I362 F364V49-V305 HydrophobicContact CG2-CG2 4.29Å; A52-V305 HydrophobicContact CB-CG2 3.89Å; A121-V305 HydrophobicContact CB-CG1 4.15Å; V305-Y317 HydrophobicContact CG1-CD1 3.84Å; V305-Y317 HydrophobicContact CG1-CE1 4.46Å; V305-Y361 WeakPolarHBondContact O-CA 3.44Å; V305-Y361 WeakPolarHBondContact O-CB 3.24Å; V305-Y361 PolarHBondContact O-N 3.26Å; V305-I362 HydrophobicContact CB-CB 4Å; V305-I362 HydrophobicContact CB-CD1 4.47Å; V305-I362 HydrophobicContact CB-CG1 4.34Å; V305-I362 HydrophobicContact CG2-CB 4.31Å; V305-I362 PolarHBondContact N-O 2.93Å; V305-I362 PolarHBondContact O-N 2.91Å; V305-F364 HydrophobicContact CG2-CE2 4.12Å
306V98.5Very high90.4Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-112.9135.7-1781780000108.8V304 Y317 I318 I320 F346 E358V304-V306 HydrophobicContact CG1-CG2 3.75Å; V306-Y317 VanDerWaalsContact O-CA 3.31Å; V306-Y317 WeakPolarHBondContact O-CA 3.49Å; V306-I318 HydrophobicContact CB-CD1 4.34Å; V306-I318 HydrophobicContact CB-CG1 3.66Å; V306-I318 HydrophobicContact CG1-CD1 4.36Å; V306-I318 HydrophobicContact CG1-CG1 4.11Å; V306-I318 HydrophobicContact CG2-CG1 4.32Å; V306-I318 PolarHBondContact N-O 3.1Å; V306-I318 PolarHBondContact O-N 2.85Å; V306-I318 VanDerWaalsContact O-N 3.09Å; V306-I320 HydrophobicContact CG2-CD1 3.73Å; V306-I320 HydrophobicContact CG2-CG1 4.44Å; V306-F346 HydrophobicContact CB-CD1 4.38Å; V306-F346 HydrophobicContact CG1-CD1 3.56Å; V306-F346 HydrophobicContact CG1-CE1 4.14Å; V306-F346 HydrophobicContact CG1-CG 4.31Å; V306-F346 HydrophobicContact CG2-CB 4.19Å; V306-F346 HydrophobicContact CG2-CD1 3.94Å; V306-F346 HydrophobicContact CG2-CG 3.99Å; V306-E358 HydrophobicContact CG1-CB 4.1Å
307H97.3Very high91.2Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-103.5120.3170.9178.3-95000110.8F261 K272 G311 Y317 S359 Y361F261-H307 AromaticContact CZ-CE1 3.94Å; F261-H307 AromaticContact CZ-ND1 3.92Å; K272-H307 WeakPolarHBondContact CE-ND1 3.29Å; K272-H307 PolarHBondContact NZ-ND1 3.37Å; K272-H307 PolarHBondContact NZ-O 3.08Å; H307-G311 PolarHBondContact CE1-O 3.04Å; H307-G311 VanDerWaalsContact CE1-O 3.26Å; H307-G311 PolarHBondContact NE2-O 3.09Å; H307-Y317 HydrophobicContact CB-CD1 4.01Å; H307-Y317 HydrophobicContact CB-CE1 3.69Å; H307-Y317 AromaticContact CD2-CE1 3.61Å; H307-Y317 AromaticContact CD2-CE2 3.74Å; H307-Y317 AromaticContact CD2-CZ 3.41Å; H307-Y317 VanDerWaalsContact CD2-CZ 3.41Å; H307-S359 PolarHBondContact N-O 3.12Å; H307-S359 PolarHBondContact O-N 3.03Å; H307-S359 VanDerWaalsContact O-N 3.14Å; H307-Y361 HydrophobicContact CB-CG 4.42Å
308C95.1Very high91.7Very high14 Ų1430.6 Ų30.610%0.09516%0.162CC..EExtended strand (participates in β ladder)trans-101.8109.5177.1-50.80000108.6G315 H316 S357 E358C308-G315 CarbonylContact O-C 3.57Å; C308-G315 WeakPolarHBondContact O-CA 3.43Å; C308-H316 HydrophobicContact CB-CB 4.35Å; C308-H316 WeakPolarHBondContact CB-O 3.27Å; C308-H316 PolarHBondContact N-O 3.48Å; C308-H316 PolarHBondContact O-N 3.35Å; C308-S357 WeakPolarHBondContact CA-O 3.49Å; C308-E358 HydrophobicContact CB-CG 3.86Å; C308-E358 VanDerWaalsContact SG-CG 3.56Å
309G90.4Very high91.9Very high5 Ų528 Ų285%0.05215%0.149CC..EExtended strand (participates in β ladder)trans154.8165.2-172.400000112.7K272 N356 S357K272-G309 WeakPolarHBondContact CD-O 3.43Å; K272-G309 WeakPolarHBondContact CE-O 3.03Å; K272-G309 PolarHBondContact NZ-O 2.69Å; G309-N356 WeakPolarHBondContact CA-OD1 3.41Å; G309-N356 PolarHBondContact N-OD1 3.41Å; G309-N356 VanDerWaalsContact N-OD1 3.08Å; G309-N356 PolarHBondContact O-OD1 3.13Å; G309-S357 PolarHBondContact N-O 3.29Å
310S79.1Confident91.9Very high74 Ų7428 Ų2852%0.51715%0.149SC..EExtended strand (participates in β ladder)trans-101.4-10.3179.158.70000114K272 N356K272-S310 VanDerWaalsContact CB-O 3.3Å; K272-S310 WeakPolarHBondContact CB-O 3.04Å; S310-N356 PolarHBondContact N-OD1 2.72Å
311G76.1Confident92Very high12 Ų1226.5 Ų26.512%0.12414%0.141CC..EExtended strand (participates in β ladder)trans-148166.4178.600000112.5H307 R314H307-G311 PolarHBondContact CE1-O 3.04Å; H307-G311 VanDerWaalsContact CE1-O 3.26Å; H307-G311 PolarHBondContact NE2-O 3.09Å; G311-R314 CarbonylContact O-C 3.57Å
312P70.3Confident91.9Very high23 Ų2330 Ų3015%0.14916%0.156CC..THydrogen-bonded Turntrans-70.6-36.6-174.725.5-33.1000113.3F261 R314F261-P312 HydrophobicContact CD1-CB 3.68Å; F261-P312 HydrophobicContact CD1-CG 4.13Å; F261-P312 HydrophobicContact CD2-CB 4.31Å; F261-P312 HydrophobicContact CE1-CB 3.74Å; F261-P312 HydrophobicContact CE1-CG 4.47Å; F261-P312 HydrophobicContact CE2-CB 4.36Å; F261-P312 HydrophobicContact CG-CB 3.98Å; F261-P312 HydrophobicContact CZ-CB 4.09Å; P312-R314 VanDerWaalsContact C-N 3.3Å; P312-R314 PolarHBondContact O-N 3.21Å
313N72.1Confident91.8Very high122 Ų12229.2 Ų29.265%0.65215%0.152SC*.THydrogen-bonded Turntrans-89.91.7-175.1-56.9-9.7000112.7
314R81Confident91.6Very high214 Ų21434 Ų3481%0.80817%0.174SC*.EExtended strand (participates in β ladder)trans-147.398.9-178.1-73.9-170.8-179.5-131.80.7108.9G311 P312G311-R314 CarbonylContact O-C 3.57Å; P312-R314 VanDerWaalsContact C-N 3.3Å; P312-R314 PolarHBondContact O-N 3.21Å
315G88.8Confident91.2Very high21 Ų2137 Ų3722%0.21621%0.205CC..EExtended strand (participates in β ladder)trans-174.1-168.3177.100000110.4Q118 C308Q118-G315 PolarHBondContact NE2-O 3.37Å; C308-G315 CarbonylContact O-C 3.57Å; C308-G315 WeakPolarHBondContact O-CA 3.43Å
316H96Very high91.1Very high49 Ų4937.8 Ų37.823%0.22721%0.208CC..EExtended strand (participates in β ladder)trans-143.4144.4-179.7-178.457.2000108.4C44 C308 D331 D332C44-H316 PolarHBondContact SG-ND1 3.33Å; C308-H316 HydrophobicContact CB-CB 4.35Å; C308-H316 WeakPolarHBondContact CB-O 3.27Å; C308-H316 PolarHBondContact N-O 3.48Å; C308-H316 PolarHBondContact O-N 3.35Å; H316-D331 IonicContact CD2-OD1 2.75Å; H316-D331 IonicContact CE1-OD1 3.35Å; H316-D331 PolarHBondContact CE1-OD1 3.46Å; H316-D331 IonicContact NE2-OD1 3.8Å; H316-D331 PolarHBondContact NE2-OD1 2.86Å; H316-D331 IonicContact NE2-OD2 3.34Å; H316-D332 IonicContact CE1-OD2 2.68Å; H316-D332 PolarHBondContact CE1-OD2 2.99Å
317Y98.2Very high91.1Very high2 Ų238.2 Ų38.21%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-114.4132.4179.2-71.1-88.8000110.4C44 S48 Q119 A121 V305 V306 H307 Y361C44-Y317 PolarHBondContact SG-N 3.31Å; S48-Y317 WeakPolarHBondContact OG-CB 3.41Å; Q119-Y317 WeakPolarHBondContact O-CE2 3.34Å; A121-Y317 HydrophobicContact CB-CD1 3.79Å; A121-Y317 HydrophobicContact CB-CE1 3.46Å; A121-Y317 VanDerWaalsContact CB-CE1 3.46Å; A121-Y317 HydrophobicContact CB-CE2 4.28Å; A121-Y317 HydrophobicContact CB-CG 4.32Å; A121-Y317 PolarHBondContact N-OH 3.35Å; V305-Y317 HydrophobicContact CG1-CD1 3.84Å; V305-Y317 HydrophobicContact CG1-CE1 4.46Å; V306-Y317 VanDerWaalsContact O-CA 3.31Å; V306-Y317 WeakPolarHBondContact O-CA 3.49Å; H307-Y317 HydrophobicContact CB-CD1 4.01Å; H307-Y317 HydrophobicContact CB-CE1 3.69Å; H307-Y317 AromaticContact CD2-CE1 3.61Å; H307-Y317 AromaticContact CD2-CE2 3.74Å; H307-Y317 AromaticContact CD2-CZ 3.41Å; H307-Y317 VanDerWaalsContact CD2-CZ 3.41Å; Y317-Y361 AromaticContact CE1-CD1 3.71Å; Y317-Y361 HydrophobicContact CE1-CD1 3.71Å; Y317-Y361 HydrophobicContact CE1-CE1 4.11Å; Y317-Y361 HydrophobicContact CE1-CG 4.47Å
318I98.6Very high91.2Very high5 Ų538.2 Ų38.23%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-122.2169.317266.8177.9000109V306 L329 F330 D331 F346V306-I318 HydrophobicContact CB-CD1 4.34Å; V306-I318 HydrophobicContact CB-CG1 3.66Å; V306-I318 HydrophobicContact CG1-CD1 4.36Å; V306-I318 HydrophobicContact CG1-CG1 4.11Å; V306-I318 HydrophobicContact CG2-CG1 4.32Å; V306-I318 PolarHBondContact N-O 3.1Å; V306-I318 PolarHBondContact O-N 2.85Å; V306-I318 VanDerWaalsContact O-N 3.09Å; I318-L329 HydrophobicContact CD1-CD1 4.05Å; I318-L329 HydrophobicContact CD1-CD2 4.45Å; I318-L329 HydrophobicContact CD1-CG 4.32Å; I318-F330 WeakPolarHBondContact CA-O 3.44Å; I318-D331 HydrophobicContact CG2-CB 3.79Å; I318-F346 HydrophobicContact CD1-CE1 4.06Å; I318-F346 HydrophobicContact CD1-CZ 4.45Å
319T98.8Very high91.3Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-138.4135.7177.2-63.90000112.4S48 Q51 A52 V304 V321 L329 F330S48-T319 WeakPolarHBondContact CA-OG1 3.26Å; S48-T319 WeakPolarHBondContact CB-OG1 3.41Å; S48-T319 PolarHBondContact O-OG1 2.87Å; Q51-T319 HydrophobicContact CB-CG2 4.19Å; A52-T319 HydrophobicContact CB-CG2 3.91Å; V304-T319 CarbonylContact O-C 3.6Å; V304-T319 VanDerWaalsContact O-CA 3.3Å; V304-T319 WeakPolarHBondContact O-CA 3.31Å; T319-V321 HydrophobicContact CG2-CG1 3.66Å; T319-L329 CarbonylContact O-C 3.5Å; T319-L329 WeakPolarHBondContact O-CA 3.38Å; T319-F330 PolarHBondContact N-O 2.79Å; T319-F330 PolarHBondContact O-N 3.13Å
320I98.7Very high91.7Very high0 Ų038.7 Ų38.70%021%0.21CC..EExtended strand (participates in β ladder)trans-106130.2175.2-60.3156000107.4A303 V304 V306 W327 L328 I338 I343 F346A303-I320 CarbonylContact C-O 3.44Å; A303-I320 WeakPolarHBondContact CA-O 3.37Å; V304-I320 HydrophobicContact CB-CB 4.34Å; V304-I320 PolarHBondContact N-O 3Å; V304-I320 PolarHBondContact O-N 3Å; V306-I320 HydrophobicContact CG2-CD1 3.73Å; V306-I320 HydrophobicContact CG2-CG1 4.44Å; I320-W327 HydrophobicContact CG2-CD2 4.38Å; I320-W327 HydrophobicContact CG2-CE3 3.51Å; I320-W327 HydrophobicContact CG2-CZ3 4.02Å; I320-L328 CarbonylContact C-O 3.56Å; I320-L328 VanDerWaalsContact CA-O 3.28Å; I320-L328 WeakPolarHBondContact CA-O 3.48Å; I320-I338 HydrophobicContact CD1-CD1 4.48Å; I320-I338 HydrophobicContact CG1-CD1 4.1Å; I320-I338 HydrophobicContact CG2-CD1 3.73Å; I320-I343 HydrophobicContact CG2-CD1 4.43Å; I320-I343 HydrophobicContact CG2-CG1 4.3Å; I320-F346 HydrophobicContact CD1-CD1 4.41Å; I320-F346 HydrophobicContact CD1-CD2 3.15Å; I320-F346 HydrophobicContact CD1-CE1 4.39Å; I320-F346 HydrophobicContact CD1-CE2 3.17Å; I320-F346 HydrophobicContact CD1-CG 3.82Å; I320-F346 HydrophobicContact CD1-CZ 3.82Å; I320-F346 HydrophobicContact CG1-CE2 4.21Å
321V98.6Very high92.7Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-133.4144.9-177.6-57.30000111.6F55 V302 A303 T319 W327 L328 F330F55-V321 HydrophobicContact CB-CB 3.84Å; F55-V321 HydrophobicContact CB-CG1 3.94Å; F55-V321 HydrophobicContact CB-CG2 4.46Å; F55-V321 HydrophobicContact CD1-CB 4.01Å; F55-V321 HydrophobicContact CD1-CG2 3.77Å; F55-V321 HydrophobicContact CD2-CB 3.85Å; F55-V321 HydrophobicContact CD2-CG1 3.73Å; F55-V321 HydrophobicContact CD2-CG2 3.65Å; F55-V321 HydrophobicContact CE1-CG2 3.82Å; F55-V321 HydrophobicContact CE2-CB 4.42Å; F55-V321 HydrophobicContact CE2-CG1 4.44Å; F55-V321 HydrophobicContact CE2-CG2 3.71Å; F55-V321 HydrophobicContact CG-CB 3.62Å; F55-V321 HydrophobicContact CG-CG1 3.89Å; F55-V321 HydrophobicContact CG-CG2 3.68Å; F55-V321 HydrophobicContact CZ-CG2 3.79Å; V302-V321 WeakPolarHBondContact O-CA 3.28Å; A303-V321 HydrophobicContact CB-CG1 3.99Å; T319-V321 HydrophobicContact CG2-CG1 3.66Å; V321-W327 WeakPolarHBondContact O-CA 3.23Å; V321-L328 HydrophobicContact CG2-CB 3.9Å; V321-L328 PolarHBondContact N-O 3.06Å; V321-L328 PolarHBondContact O-N 3.4Å; V321-F330 HydrophobicContact CG2-CD2 3.8Å; V321-F330 HydrophobicContact CG2-CE2 3.44Å; V321-F330 VanDerWaalsContact CG2-CE2 3.44Å
322K98.1Very high93.7Very high72 Ų7237.8 Ų37.831%0.31320%0.197SC..EExtended strand (participates in β ladder)trans-88.3122.2174-167.4175.2-175.1-179.80109.2V302 W327V302-K322 PolarHBondContact O-N 3.16Å; K322-W327 HydrophobicContact CB-CD2 4.16Å; K322-W327 HydrophobicContact CB-CE3 3.91Å; K322-W327 HydrophobicContact CB-CH2 3.8Å; K322-W327 HydrophobicContact CB-CZ2 4.01Å; K322-W327 HydrophobicContact CB-CZ3 3.74Å; K322-W327 HydrophobicContact CD-CH2 4.29Å; K322-W327 HydrophobicContact CD-CZ2 3.9Å; K322-W327 HydrophobicContact CG-CD2 4.43Å; K322-W327 HydrophobicContact CG-CH2 4.39Å; K322-W327 HydrophobicContact CG-CZ2 4.1Å
323S96.6Very high95Very high1 Ų140.8 Ų40.81%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-124.7113.7172.6-161.70000109.3Y34 G325 F326Y34-S323 WeakPolarHBondContact CE1-OG 3.24Å; Y34-S323 PolarHBondContact OH-OG 2.95Å; S323-G325 PolarHBondContact O-N 2.96Å; S323-F326 PolarHBondContact N-O 3.3Å; S323-F326 WeakPolarHBondContact O-CD1 3.29Å; S323-F326 WeakPolarHBondContact O-CE1 3.27Å; S323-F326 WeakPolarHBondContact O-CG 3.35Å; S323-F326 PolarHBondContact O-N 2.88Å
324H92.9Very high96.3Very high100 Ų10038.7 Ų38.746%0.46320%0.2SC..THydrogen-bonded Turntrans48.134.9171.9-65.2-96.1000115.8P29 E32 R57 F326P29-H324 HydrophobicContact CB-CB 4.38Å; P29-H324 HydrophobicContact CG-CB 3.61Å; P29-H324 WeakPolarHBondContact CG-CD2 3.41Å; P29-H324 VanDerWaalsContact CG-CG 3.49Å; E32-H324 IonicContact OE1-NE2 2.86Å; R57-H324 PolarHBondContact NH2-CD2 2.92Å; R57-H324 VanDerWaalsContact NH2-CD2 3.3Å; R57-H324 PolarHBondContact NH2-CE1 3.49Å; R57-H324 PolarHBondContact NH2-NE2 3.47Å; H324-F326 HydrophobicContact CB-CE1 4.47Å
325G91.6Very high97.1Very high63 Ų6329.4 Ų29.465%0.64917%0.167SC*.THydrogen-bonded Turntrans101-7.9175.200000115.5S323S323-G325 PolarHBondContact O-N 2.96Å
326F96.4Very high97.5Very high16 Ų1633.5 Ų33.57%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-117.3170.7169.860.3-92.4000111.3I23 P29 Y34 S323 H324 L328I23-F326 HydrophobicContact CD1-CE2 3.86Å; I23-F326 HydrophobicContact CD1-CZ 4.07Å; I23-F326 HydrophobicContact CG1-CE2 4.15Å; I23-F326 HydrophobicContact CG1-CZ 4.41Å; I23-F326 HydrophobicContact CG2-CE1 4.12Å; I23-F326 HydrophobicContact CG2-CE2 4.45Å; I23-F326 HydrophobicContact CG2-CZ 3.94Å; P29-F326 HydrophobicContact CG-CE1 4.16Å; P29-F326 HydrophobicContact CG-CZ 4.25Å; Y34-F326 HydrophobicContact CE2-CE2 4.41Å; Y34-F326 HydrophobicContact CE2-CZ 4.2Å; Y34-F326 VanDerWaalsContact OH-CZ 3.27Å; Y34-F326 WeakPolarHBondContact OH-CZ 3.31Å; S323-F326 PolarHBondContact N-O 3.3Å; S323-F326 WeakPolarHBondContact O-CD1 3.29Å; S323-F326 WeakPolarHBondContact O-CE1 3.27Å; S323-F326 WeakPolarHBondContact O-CG 3.35Å; S323-F326 PolarHBondContact O-N 2.88Å; H324-F326 HydrophobicContact CB-CE1 4.47Å; F326-L328 HydrophobicContact CD2-CD2 4.14Å; F326-L328 HydrophobicContact CD2-CG 4.15Å; F326-L328 HydrophobicContact CE2-CD1 4.11Å; F326-L328 HydrophobicContact CE2-CD2 3.86Å; F326-L328 HydrophobicContact CE2-CG 3.88Å
327W98.3Very high97.6Very high9 Ų934.2 Ų34.23%0.03418%0.182CC..EExtended strand (participates in β ladder)trans-114.5142.3-177.1-67.393.2000111.2L281 L301 I320 V321 K322 I338 I343L281-W327 HydrophobicContact CD2-CH2 4.43Å; L281-W327 HydrophobicContact CD2-CZ2 3.86Å; L301-W327 HydrophobicContact CB-CH2 4.2Å; L301-W327 HydrophobicContact CD2-CH2 3.97Å; L301-W327 HydrophobicContact CG-CH2 3.95Å; L301-W327 WeakPolarHBondContact O-CH2 3.43Å; I320-W327 HydrophobicContact CG2-CD2 4.38Å; I320-W327 HydrophobicContact CG2-CE3 3.51Å; I320-W327 HydrophobicContact CG2-CZ3 4.02Å; V321-W327 WeakPolarHBondContact O-CA 3.23Å; K322-W327 HydrophobicContact CB-CD2 4.16Å; K322-W327 HydrophobicContact CB-CE3 3.91Å; K322-W327 HydrophobicContact CB-CH2 3.8Å; K322-W327 HydrophobicContact CB-CZ2 4.01Å; K322-W327 HydrophobicContact CB-CZ3 3.74Å; K322-W327 HydrophobicContact CD-CH2 4.29Å; K322-W327 HydrophobicContact CD-CZ2 3.9Å; K322-W327 HydrophobicContact CG-CD2 4.43Å; K322-W327 HydrophobicContact CG-CH2 4.39Å; K322-W327 HydrophobicContact CG-CZ2 4.1Å; W327-I338 HydrophobicContact CB-CD1 4.35Å; W327-I338 HydrophobicContact CB-CG1 3.7Å; W327-I338 PolarHBondContact O-N 2.77Å; W327-I343 HydrophobicContact CD2-CD1 3.44Å; W327-I343 VanDerWaalsContact CD2-CD1 3.44Å; W327-I343 HydrophobicContact CE3-CD1 3.83Å; W327-I343 HydrophobicContact CG-CD1 3.82Å; W327-I343 HydrophobicContact CH2-CD1 4.1Å; W327-I343 HydrophobicContact CZ2-CD1 3.76Å; W327-I343 HydrophobicContact CZ3-CD1 4.13Å
328L98.6Very high97.5Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-122.2138.5176.4-64.8174.5000109.2L19 I23 Y34 F55 I320 V321 F326 F330 E336 K337L19-L328 HydrophobicContact CD1-CD2 3.86Å; L19-L328 HydrophobicContact CD2-CD2 4.49Å; I23-L328 HydrophobicContact CD1-CD2 4.24Å; Y34-L328 HydrophobicContact CD1-CD1 3.46Å; Y34-L328 VanDerWaalsContact CD1-CD1 3.46Å; Y34-L328 HydrophobicContact CD2-CD1 4.09Å; Y34-L328 HydrophobicContact CE1-CD1 3.5Å; Y34-L328 HydrophobicContact CE2-CD1 4.14Å; Y34-L328 HydrophobicContact CG-CD1 3.76Å; F55-L328 HydrophobicContact CZ-CD1 4.49Å; I320-L328 CarbonylContact C-O 3.56Å; I320-L328 VanDerWaalsContact CA-O 3.28Å; I320-L328 WeakPolarHBondContact CA-O 3.48Å; V321-L328 HydrophobicContact CG2-CB 3.9Å; V321-L328 PolarHBondContact N-O 3.06Å; V321-L328 PolarHBondContact O-N 3.4Å; F326-L328 HydrophobicContact CD2-CD2 4.14Å; F326-L328 HydrophobicContact CD2-CG 4.15Å; F326-L328 HydrophobicContact CE2-CD1 4.11Å; F326-L328 HydrophobicContact CE2-CD2 3.86Å; F326-L328 HydrophobicContact CE2-CG 3.88Å; L328-F330 HydrophobicContact CB-CD2 4.18Å; L328-F330 HydrophobicContact CB-CE2 3.66Å; L328-F330 HydrophobicContact CD1-CE2 4.03Å; L328-F330 HydrophobicContact CD1-CZ 4.28Å; L328-E336 CarbonylContact C-O 3.53Å; L328-E336 VanDerWaalsContact CA-O 3.28Å; L328-E336 WeakPolarHBondContact CA-O 3.38Å; L328-K337 HydrophobicContact CD2-CB 4.32Å
329L98.8Very high97.4Very high24 Ų2440.3 Ų40.313%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-102.7125.1169.6-173.6154.3000108.4I318 T319 D331 V335 E336 I338 F346I318-L329 HydrophobicContact CD1-CD1 4.05Å; I318-L329 HydrophobicContact CD1-CD2 4.45Å; I318-L329 HydrophobicContact CD1-CG 4.32Å; T319-L329 CarbonylContact O-C 3.5Å; T319-L329 WeakPolarHBondContact O-CA 3.38Å; L329-D331 HydrophobicContact CD2-CB 3.91Å; L329-V335 WeakPolarHBondContact O-CA 3.47Å; L329-E336 PolarHBondContact N-O 2.79Å; L329-E336 PolarHBondContact O-N 2.78Å; L329-I338 HydrophobicContact CB-CD1 4.38Å; L329-I338 HydrophobicContact CB-CG2 3.73Å; L329-I338 HydrophobicContact CD1-CG2 4.22Å; L329-F346 HydrophobicContact CD1-CZ 4.21Å
330F98.8Very high97.2Very high5 Ų542.5 Ų42.52%0.02223%0.233CC..EExtended strand (participates in β ladder)trans-108.6112.7174.6-74.3-98.4000108.7Q51 F55 I318 T319 V321 L328 V335Q51-F330 HydrophobicContact CB-CB 4.41Å; Q51-F330 HydrophobicContact CB-CG 4.41Å; Q51-F330 HydrophobicContact CG-CB 3.95Å; Q51-F330 HydrophobicContact CG-CD1 3.96Å; Q51-F330 HydrophobicContact CG-CG 3.99Å; F55-F330 AromaticContact CE2-CE2 3.73Å; F55-F330 HydrophobicContact CE2-CE2 3.73Å; F55-F330 AromaticContact CE2-CZ 3.69Å; F55-F330 HydrophobicContact CE2-CZ 3.69Å; F55-F330 AromaticContact CZ-CE2 3.86Å; F55-F330 HydrophobicContact CZ-CE2 3.86Å; F55-F330 AromaticContact CZ-CZ 3.75Å; F55-F330 HydrophobicContact CZ-CZ 3.75Å; I318-F330 WeakPolarHBondContact CA-O 3.44Å; T319-F330 PolarHBondContact N-O 2.79Å; T319-F330 PolarHBondContact O-N 3.13Å; V321-F330 HydrophobicContact CG2-CD2 3.8Å; V321-F330 HydrophobicContact CG2-CE2 3.44Å; V321-F330 VanDerWaalsContact CG2-CE2 3.44Å; L328-F330 HydrophobicContact CB-CD2 4.18Å; L328-F330 HydrophobicContact CB-CE2 3.66Å; L328-F330 HydrophobicContact CD1-CE2 4.03Å; L328-F330 HydrophobicContact CD1-CZ 4.28Å; F330-V335 HydrophobicContact CD1-CB 4.34Å; F330-V335 HydrophobicContact CD1-CG1 3.97Å; F330-V335 HydrophobicContact CD1-CG2 3.53Å; F330-V335 HydrophobicContact CD2-CG1 4.3Å; F330-V335 HydrophobicContact CE1-CB 4.21Å; F330-V335 HydrophobicContact CE1-CG1 3.61Å; F330-V335 HydrophobicContact CE1-CG2 3.48Å; F330-V335 VanDerWaalsContact CE1-CG2 3.48Å; F330-V335 HydrophobicContact CE2-CG1 3.93Å; F330-V335 HydrophobicContact CG-CG1 4.32Å; F330-V335 HydrophobicContact CG-CG2 4.42Å; F330-V335 HydrophobicContact CZ-CG1 3.58Å; F330-V335 HydrophobicContact CZ-CG2 4.33Å
331D98.6Very high97.1Very high54 Ų5449.7 Ų49.729%0.28927%0.267SS..EExtended strand (participates in β ladder)trans-118.490.4172.1-176.2-11.1000107.7H316 I318 L329 D333 I334H316-D331 IonicContact CD2-OD1 2.75Å; H316-D331 IonicContact CE1-OD1 3.35Å; H316-D331 PolarHBondContact CE1-OD1 3.46Å; H316-D331 IonicContact NE2-OD1 3.8Å; H316-D331 PolarHBondContact NE2-OD1 2.86Å; H316-D331 IonicContact NE2-OD2 3.34Å; I318-D331 HydrophobicContact CG2-CB 3.79Å; L329-D331 HydrophobicContact CD2-CB 3.91Å; D331-D333 PolarHBondContact O-N 2.91Å; D331-I334 HydrophobicContact CB-CB 4.4Å; D331-I334 PolarHBondContact N-O 3.49Å; D331-I334 WeakPolarHBondContact O-CA 3.45Å; D331-I334 WeakPolarHBondContact O-CB 3.5Å; D331-I334 PolarHBondContact O-N 3.15Å
332D98.5Very high96.9Very high14 Ų1450.9 Ų50.98%0.07528%0.276CS..THydrogen-bonded Turntrans47-109.1-173.5-69.9-38.4000112.4G36 L37 N39 C44 N47 H316 I334G36-D332 CarbonylContact C-O 3.28Å; G36-D332 VanDerWaalsContact C-O 3.28Å; G36-D332 WeakPolarHBondContact CA-O 3.34Å; L37-D332 PolarHBondContact N-O 3.47Å; L37-D332 CarbonylContact O-C 3.05Å; L37-D332 VanDerWaalsContact O-CA 3.24Å; L37-D332 WeakPolarHBondContact O-CA 3.45Å; L37-D332 WeakPolarHBondContact O-CB 3.41Å; N39-D332 HydrophobicContact CB-CB 4.27Å; N39-D332 WeakPolarHBondContact CB-OD2 3.39Å; N39-D332 PolarHBondContact ND2-OD2 3.27Å; C44-D332 WeakPolarHBondContact CB-OD1 3.2Å; N47-D332 PolarHBondContact ND2-OD1 2.83Å; H316-D332 IonicContact CE1-OD2 2.68Å; H316-D332 PolarHBondContact CE1-OD2 2.99Å; D332-I334 VanDerWaalsContact C-N 3.32Å
333D97.7Very high96.8Very high86 Ų8647.5 Ų47.546%0.4626%0.262SS..THydrogen-bonded Turntrans-82-6.7-178.661.8-33.9000114.3L37 V96 D331L37-D333 PolarHBondContact O-N 3.01Å; V96-D333 HydrophobicContact CB-CB 4.47Å; V96-D333 HydrophobicContact CG1-CB 3.61Å; V96-D333 HydrophobicContact CG2-CB 3.97Å; V96-D333 WeakPolarHBondContact CG2-O 3.39Å; D331-D333 PolarHBondContact O-N 2.91Å
334I98Very high96.8Very high78 Ų7852.3 Ų52.340%0.428%0.284SS..EExtended strand (participates in β ladder)trans-97.9134.5178.3-53.3-59000110.3D331 D332 E336D331-I334 HydrophobicContact CB-CB 4.4Å; D331-I334 PolarHBondContact N-O 3.49Å; D331-I334 WeakPolarHBondContact O-CA 3.45Å; D331-I334 WeakPolarHBondContact O-CB 3.5Å; D331-I334 PolarHBondContact O-N 3.15Å; D332-I334 VanDerWaalsContact C-N 3.32Å; I334-E336 HydrophobicContact CG2-CG 3.91Å
335V98.3Very high96.9Very high19 Ų1954.4 Ų54.412%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-133.3121.8175.4-168.50000109.3L19 L329 F330L19-V335 HydrophobicContact CD2-CB 3.91Å; L19-V335 HydrophobicContact CD2-CG1 3.57Å; L329-V335 WeakPolarHBondContact O-CA 3.47Å; F330-V335 HydrophobicContact CD1-CB 4.34Å; F330-V335 HydrophobicContact CD1-CG1 3.97Å; F330-V335 HydrophobicContact CD1-CG2 3.53Å; F330-V335 HydrophobicContact CD2-CG1 4.3Å; F330-V335 HydrophobicContact CE1-CB 4.21Å; F330-V335 HydrophobicContact CE1-CG1 3.61Å; F330-V335 HydrophobicContact CE1-CG2 3.48Å; F330-V335 VanDerWaalsContact CE1-CG2 3.48Å; F330-V335 HydrophobicContact CE2-CG1 3.93Å; F330-V335 HydrophobicContact CG-CG1 4.32Å; F330-V335 HydrophobicContact CG-CG2 4.42Å; F330-V335 HydrophobicContact CZ-CG1 3.58Å; F330-V335 HydrophobicContact CZ-CG2 4.33Å
336E97.3Very high97.2Very high107 Ų10751.9 Ų51.950%0.527%0.265SS..EExtended strand (participates in β ladder)trans-131.4147.6-175.1-67.7-178.517700111.2L328 L329 I334L328-E336 CarbonylContact C-O 3.53Å; L328-E336 VanDerWaalsContact CA-O 3.28Å; L328-E336 WeakPolarHBondContact CA-O 3.38Å; L329-E336 PolarHBondContact N-O 2.79Å; L329-E336 PolarHBondContact O-N 2.78Å; I334-E336 HydrophobicContact CG2-CG 3.91Å
337K97.6Very high97.2Very high63 Ų6352.1 Ų52.127%0.27427%0.266SS..EExtended strand (participates in β ladder)trans-81.1132.5170.4179-177.4172.6-67.90108.6L19 I23 L328 D339L19-K337 HydrophobicContact CD1-CB 4.06Å; I23-K337 HydrophobicContact CG1-CB 4.43Å; I23-K337 HydrophobicContact CG1-CD 4.17Å; L328-K337 HydrophobicContact CD2-CB 4.32Å; K337-D339 IonicContact NZ-OD1 2.65Å; K337-D339 PolarHBondContact NZ-OD1 2.94Å
338I97.6Very high97Very high24 Ų2452.3 Ų52.312%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-121155.2173.966.8168.9000110.8I320 W327 L329 I343I320-I338 HydrophobicContact CD1-CD1 4.48Å; I320-I338 HydrophobicContact CG1-CD1 4.1Å; I320-I338 HydrophobicContact CG2-CD1 3.73Å; W327-I338 HydrophobicContact CB-CD1 4.35Å; W327-I338 HydrophobicContact CB-CG1 3.7Å; W327-I338 PolarHBondContact O-N 2.77Å; L329-I338 HydrophobicContact CB-CD1 4.38Å; L329-I338 HydrophobicContact CB-CG2 3.73Å; L329-I338 HydrophobicContact CD1-CG2 4.22Å; I338-I343 HydrophobicContact CD1-CG1 4.42Å
339D96.4Very high96.7Very high111 Ų11154.4 Ų54.459%0.59428%0.282SS*.  trans-81.3149.4172.4-68.3-31.9000110.6K337 Q341 A342K337-D339 IonicContact NZ-OD1 2.65Å; K337-D339 PolarHBondContact NZ-OD1 2.94Å; D339-Q341 PolarHBondContact O-N 3.26Å; D339-Q341 VanDerWaalsContact O-N 3.1Å; D339-A342 WeakPolarHBondContact O-CB 3.48Å; D339-A342 PolarHBondContact O-N 3.15Å
340A94.5Very high96.2Very high46 Ų4657.7 Ų57.738%0.3830%0.303SS..G310 helixtrans-58.4-28.6-178.600000112.7A342 I343A340-A342 VanDerWaalsContact C-N 3.33Å; A340-A342 PolarHBondContact O-N 3.15Å; A340-I343 VanDerWaalsContact O-CB 3.28Å; A340-I343 WeakPolarHBondContact O-CB 3.3Å; A340-I343 WeakPolarHBondContact O-CG1 3.15Å; A340-I343 PolarHBondContact O-N 3.15Å
341Q95.7Very high95.4Very high151 Ų15161.4 Ų61.471%0.70633%0.329SS*.G310 helixtrans-67.9-30.8177.3-170.3173.214.600112.8D339 I343 E344D339-Q341 PolarHBondContact O-N 3.26Å; D339-Q341 VanDerWaalsContact O-N 3.1Å; Q341-I343 PolarHBondContact O-N 3.27Å; Q341-I343 VanDerWaalsContact O-N 3.14Å; Q341-E344 WeakPolarHBondContact O-CB 3.47Å; Q341-E344 WeakPolarHBondContact O-CG 3.09Å; Q341-E344 PolarHBondContact O-N 2.79Å; Q341-E344 VanDerWaalsContact O-N 3.11Å
342A95.3Very high94.5Very high25 Ų2563.2 Ų63.221%0.20734%0.339CS..G310 helixtrans-64.1-18.7177.100000112.2D339 A340 E344 E345 F346D339-A342 WeakPolarHBondContact O-CB 3.48Å; D339-A342 PolarHBondContact O-N 3.15Å; A340-A342 VanDerWaalsContact C-N 3.33Å; A340-A342 PolarHBondContact O-N 3.15Å; A342-E344 PolarHBondContact O-N 3.29Å; A342-E345 VanDerWaalsContact O-CB 3.3Å; A342-E345 WeakPolarHBondContact O-CB 3.19Å; A342-E345 WeakPolarHBondContact O-CG 3.4Å; A342-E345 PolarHBondContact O-N 3.02Å; A342-E345 VanDerWaalsContact O-N 3.15Å; A342-F346 WeakPolarHBondContact O-CE2 3.38Å
343I96.4Very high93.5Very high1 Ų166.1 Ų66.11%0.00535%0.354CS..G310 helixtrans-61.6-30176-60.5175000111.5F279 L281 I320 W327 I338 A340 Q341 E345 F346F279-I343 HydrophobicContact CD2-CG2 4.4Å; F279-I343 HydrophobicContact CE2-CG2 3.49Å; F279-I343 VanDerWaalsContact CE2-CG2 3.49Å; F279-I343 HydrophobicContact CZ-CG2 4.18Å; L281-I343 HydrophobicContact CD2-CD1 4.01Å; I320-I343 HydrophobicContact CG2-CD1 4.43Å; I320-I343 HydrophobicContact CG2-CG1 4.3Å; W327-I343 HydrophobicContact CD2-CD1 3.44Å; W327-I343 VanDerWaalsContact CD2-CD1 3.44Å; W327-I343 HydrophobicContact CE3-CD1 3.83Å; W327-I343 HydrophobicContact CG-CD1 3.82Å; W327-I343 HydrophobicContact CH2-CD1 4.1Å; W327-I343 HydrophobicContact CZ2-CD1 3.76Å; W327-I343 HydrophobicContact CZ3-CD1 4.13Å; I338-I343 HydrophobicContact CD1-CG1 4.42Å; A340-I343 VanDerWaalsContact O-CB 3.28Å; A340-I343 WeakPolarHBondContact O-CB 3.3Å; A340-I343 WeakPolarHBondContact O-CG1 3.15Å; A340-I343 PolarHBondContact O-N 3.15Å; Q341-I343 PolarHBondContact O-N 3.27Å; Q341-I343 VanDerWaalsContact O-N 3.14Å; I343-E345 PolarHBondContact O-N 3.28Å; I343-F346 PolarHBondContact O-N 3.1Å; I343-F346 VanDerWaalsContact O-N 3.11Å
344E95.6Very high92.4Very high103 Ų10367.3 Ų67.348%0.48137%0.369SS..G310 helixtrans-64.1-24.5179.4-59.2-174-158.600112.7Q341 A342 F346 Y347Q341-E344 WeakPolarHBondContact O-CB 3.47Å; Q341-E344 WeakPolarHBondContact O-CG 3.09Å; Q341-E344 PolarHBondContact O-N 2.79Å; Q341-E344 VanDerWaalsContact O-N 3.11Å; A342-E344 PolarHBondContact O-N 3.29Å; E344-F346 PolarHBondContact O-N 2.94Å; E344-Y347 HydrophobicContact CB-CD2 4.01Å; E344-Y347 HydrophobicContact CB-CE2 3.73Å; E344-Y347 HydrophobicContact CG-CD2 4.44Å; E344-Y347 HydrophobicContact CG-CE2 3.67Å; E344-Y347 WeakPolarHBondContact O-CB 3.47Å; E344-Y347 WeakPolarHBondContact O-CD2 2.95Å; E344-Y347 VanDerWaalsContact O-CG 3.29Å; E344-Y347 PolarHBondContact O-N 2.67Å; E344-Y347 VanDerWaalsContact O-N 3.15Å
345E95.4Very high91.5Very high144 Ų14469.3 Ų69.367%0.67338%0.375SS*.G310 helixtrans-62.6-29.1176.2-59.5-178.8-177.500111.4A342 I343 Y347A342-E345 VanDerWaalsContact O-CB 3.3Å; A342-E345 WeakPolarHBondContact O-CB 3.19Å; A342-E345 WeakPolarHBondContact O-CG 3.4Å; A342-E345 PolarHBondContact O-N 3.02Å; A342-E345 VanDerWaalsContact O-N 3.15Å; I343-E345 PolarHBondContact O-N 3.28Å; E345-Y347 VanDerWaalsContact C-N 3.3Å; E345-Y347 PolarHBondContact O-N 2.98Å
346F97.3Very high90.7Very high9 Ų973.4 Ų73.44%0.03940%0.396CS..G310 helixtrans-87.45.9-179.7-50.5-70.5000113.5F279 V306 I318 I320 L329 A342 I343 E344 G348 E358 S359 G360F279-F346 HydrophobicContact CZ-CB 4.18Å; V306-F346 HydrophobicContact CB-CD1 4.38Å; V306-F346 HydrophobicContact CG1-CD1 3.56Å; V306-F346 HydrophobicContact CG1-CE1 4.14Å; V306-F346 HydrophobicContact CG1-CG 4.31Å; V306-F346 HydrophobicContact CG2-CB 4.19Å; V306-F346 HydrophobicContact CG2-CD1 3.94Å; V306-F346 HydrophobicContact CG2-CG 3.99Å; I318-F346 HydrophobicContact CD1-CE1 4.06Å; I318-F346 HydrophobicContact CD1-CZ 4.45Å; I320-F346 HydrophobicContact CD1-CD1 4.41Å; I320-F346 HydrophobicContact CD1-CD2 3.15Å; I320-F346 HydrophobicContact CD1-CE1 4.39Å; I320-F346 HydrophobicContact CD1-CE2 3.17Å; I320-F346 HydrophobicContact CD1-CG 3.82Å; I320-F346 HydrophobicContact CD1-CZ 3.82Å; I320-F346 HydrophobicContact CG1-CE2 4.21Å; L329-F346 HydrophobicContact CD1-CZ 4.21Å; A342-F346 WeakPolarHBondContact O-CE2 3.38Å; I343-F346 PolarHBondContact O-N 3.1Å; I343-F346 VanDerWaalsContact O-N 3.11Å; E344-F346 PolarHBondContact O-N 2.94Å; F346-G348 PolarHBondContact O-N 3.34Å; F346-E358 HydrophobicContact CD1-CB 3.96Å; F346-E358 HydrophobicContact CE1-CB 4.15Å; F346-S359 CarbonylContact O-C 3.4Å; F346-S359 WeakPolarHBondContact O-CA 3.41Å; F346-G360 PolarHBondContact O-N 2.86Å
347Y97.4Very high90.4Very high21 Ų2168.6 Ų68.68%0.08237%0.374CS..G310 helixtrans-65-25.6171.1-65.9-17000111.9R260 Y275 R276 V277 V278 F279 E344 E345R260-Y347 PolarHBondContact NH2-O 2.82Å; Y275-Y347 VanDerWaalsContact O-O 3.11Å; R276-Y347 CarbonylContact C-O 3.57Å; R276-Y347 WeakPolarHBondContact CA-O 3.47Å; V277-Y347 PolarHBondContact N-O 2.65Å; V278-Y347 HydrophobicContact CB-CD2 4.4Å; V278-Y347 HydrophobicContact CB-CE2 4.39Å; V278-Y347 HydrophobicContact CG1-CD2 4.34Å; V278-Y347 HydrophobicContact CG1-CE1 4.5Å; V278-Y347 HydrophobicContact CG1-CE2 3.84Å; V278-Y347 HydrophobicContact CG2-CD2 3.96Å; V278-Y347 HydrophobicContact CG2-CE2 4.23Å; V278-Y347 HydrophobicContact CG2-CG 4.43Å; F279-Y347 AromaticContact CD1-CD1 3.72Å; F279-Y347 HydrophobicContact CD1-CD1 3.72Å; F279-Y347 AromaticContact CD1-CE1 3.94Å; F279-Y347 HydrophobicContact CD1-CE1 3.94Å; F279-Y347 HydrophobicContact CD2-CD1 4.33Å; F279-Y347 AromaticContact CD2-CE1 3.77Å; F279-Y347 HydrophobicContact CD2-CE1 3.77Å; F279-Y347 AromaticContact CE1-CD1 3.5Å; F279-Y347 HydrophobicContact CE1-CD1 3.5Å; F279-Y347 VanDerWaalsContact CE1-CD1 3.5Å; F279-Y347 AromaticContact CE1-CE1 3.94Å; F279-Y347 HydrophobicContact CE1-CE1 3.94Å; F279-Y347 HydrophobicContact CE2-CD1 4.13Å; F279-Y347 AromaticContact CE2-CE1 3.76Å; F279-Y347 HydrophobicContact CE2-CE1 3.76Å; F279-Y347 HydrophobicContact CG-CD1 4.13Å; F279-Y347 AromaticContact CG-CE1 3.85Å; F279-Y347 HydrophobicContact CG-CE1 3.85Å; F279-Y347 AromaticContact CZ-CD1 3.7Å; F279-Y347 HydrophobicContact CZ-CD1 3.7Å; F279-Y347 AromaticContact CZ-CE1 3.84Å; F279-Y347 HydrophobicContact CZ-CE1 3.84Å; F279-Y347 WeakPolarHBondContact O-CE1 3.34Å; F279-Y347 PolarHBondContact O-OH 3.31Å; E344-Y347 HydrophobicContact CB-CD2 4.01Å; E344-Y347 HydrophobicContact CB-CE2 3.73Å; E344-Y347 HydrophobicContact CG-CD2 4.44Å; E344-Y347 HydrophobicContact CG-CE2 3.67Å; E344-Y347 WeakPolarHBondContact O-CB 3.47Å; E344-Y347 WeakPolarHBondContact O-CD2 2.95Å; E344-Y347 VanDerWaalsContact O-CG 3.29Å; E344-Y347 PolarHBondContact O-N 2.67Å; E344-Y347 VanDerWaalsContact O-N 3.15Å; E345-Y347 VanDerWaalsContact C-N 3.3Å; E345-Y347 PolarHBondContact O-N 2.98Å
348G93.9Very high90.3Very high13 Ų1370.2 Ų70.213%0.13438%0.383CS..  trans106.3-167.9-175.800000112F346 S359F346-G348 PolarHBondContact O-N 3.34Å; G348-S359 WeakPolarHBondContact CA-OG 3.44Å
349L91.1Very high90.3Very high45 Ų4569 Ų6924%0.23638%0.377CS..BIsolated β-bridgetrans-95.6128.4-167.8-60.8178.3000112.5Q207 S274 R276 D352 K355Q207-L349 PolarHBondContact NE2-O 3.35Å; S274-L349 PolarHBondContact O-N 2.99Å; R276-L349 PolarHBondContact N-O 3.26Å; L349-D352 WeakPolarHBondContact CD1-O 3.3Å; L349-K355 HydrophobicContact CD1-CB 4.22Å
350T88.8Confident90.3Very high92 Ų9263.8 Ų63.856%0.56435%0.349SS*.SBendtrans-72.2-34.7172.1-45.50000111.9Q207 R276Q207-T350 PolarHBondContact NE2-O 3.49Å; Q207-T350 VanDerWaalsContact NE2-O 3.15Å; R276-T350 WeakPolarHBondContact CD-OG1 3.46Å
351S81.3Confident90.5Very high83 Ų8361.7 Ų61.758%0.5833%0.331SS*.SBendtrans-140.2163.5-17955.80000110.5I353S351-I353 PolarHBondContact O-N 3.46Å
352D80.2Confident90.6Very high92 Ų9254.5 Ų54.549%0.49230%0.297SS..  trans55.448.2-179.2-64.3-14.4000114.5L349 S354 K355L349-D352 WeakPolarHBondContact CD1-O 3.3Å; D352-S354 PolarHBondContact O-N 3.49Å; D352-K355 HydrophobicContact CB-CD 3.87Å; D352-K355 HydrophobicContact CB-CG 4.22Å; D352-K355 WeakPolarHBondContact O-CB 3.49Å; D352-K355 PolarHBondContact O-N 2.84Å; D352-K355 IonicContact OD2-NZ 3.4Å; D352-K355 PolarHBondContact OD2-NZ 2.73Å
353I78.1Confident90.8Very high75 Ų7553.3 Ų53.339%0.38529%0.287SS..THydrogen-bonded Turntrans-56.9-11.8-177.556.8167.7000115.4S274 Y275 S351S274-I353 WeakPolarHBondContact CB-O 3.32Å; S274-I353 PolarHBondContact OG-O 3.4Å; Y275-I353 HydrophobicContact CD1-CG2 4.24Å; Y275-I353 HydrophobicContact CE1-CD1 3.89Å; S351-I353 PolarHBondContact O-N 3.46Å
354S73.4Confident90.9Very high112 Ų11253.2 Ų53.278%0.78329%0.287SS*.THydrogen-bonded Turntrans-82.7-12.5175.759.50000114.1D352D352-S354 PolarHBondContact O-N 3.49Å
355K79.2Confident91.1Very high120 Ų12048.3 Ų48.352%0.52226%0.264SS..SBendtrans-74.9161.7176.5-74.7179178.5160.20111.6L349 D352 S357L349-K355 HydrophobicContact CD1-CB 4.22Å; D352-K355 HydrophobicContact CB-CD 3.87Å; D352-K355 HydrophobicContact CB-CG 4.22Å; D352-K355 WeakPolarHBondContact O-CB 3.49Å; D352-K355 PolarHBondContact O-N 2.84Å; D352-K355 IonicContact OD2-NZ 3.4Å; D352-K355 PolarHBondContact OD2-NZ 2.73Å; K355-S357 PolarHBondContact O-N 2.78Å
356N83.1Confident91.2Very high105 Ų10543.7 Ų43.756%0.56124%0.242SC*.  trans-59.2136.1170.6-166.824.2000109.5G309 S310G309-N356 WeakPolarHBondContact CA-OD1 3.41Å; G309-N356 PolarHBondContact N-OD1 3.41Å; G309-N356 VanDerWaalsContact N-OD1 3.08Å; G309-N356 PolarHBondContact O-OD1 3.13Å; S310-N356 PolarHBondContact N-OD1 2.72Å
357S90.5Very high91.1Very high5 Ų543.8 Ų43.84%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-135.3151.9-178.364.40000110.4K272 S274 C308 G309 K355 S359K272-S357 PolarHBondContact NZ-O 3.46Å; K272-S357 PolarHBondContact NZ-OG 3.43Å; S274-S357 VanDerWaalsContact CB-OG 3.3Å; S274-S357 WeakPolarHBondContact CB-OG 3.33Å; S274-S357 PolarHBondContact OG-OG 3.27Å; C308-S357 WeakPolarHBondContact CA-O 3.49Å; G309-S357 PolarHBondContact N-O 3.29Å; K355-S357 PolarHBondContact O-N 2.78Å; S357-S359 PolarHBondContact OG-OG 2.82Å
358E95.1Very high90.9Very high97 Ų9748.9 Ų48.945%0.45326%0.263SS..EExtended strand (participates in β ladder)trans-107.1117.3165.8-52.1-170-175.800105.5V306 C308 F346V306-E358 HydrophobicContact CG1-CB 4.1Å; C308-E358 HydrophobicContact CB-CG 3.86Å; C308-E358 VanDerWaalsContact SG-CG 3.56Å; F346-E358 HydrophobicContact CD1-CB 3.96Å; F346-E358 HydrophobicContact CE1-CB 4.15Å
359S96.7Very high90.2Very high0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-141.5134.7-172-54.10000110.3H307 F346 G348 S357 Y361H307-S359 PolarHBondContact N-O 3.12Å; H307-S359 PolarHBondContact O-N 3.03Å; H307-S359 VanDerWaalsContact O-N 3.14Å; F346-S359 CarbonylContact O-C 3.4Å; F346-S359 WeakPolarHBondContact O-CA 3.41Å; G348-S359 WeakPolarHBondContact CA-OG 3.44Å; S357-S359 PolarHBondContact OG-OG 2.82Å; S359-Y361 PolarHBondContact O-N 2.97Å
360G97.9Very high90.1Very high0 Ų058.3 Ų58.30%030%0.304CS..EExtended strand (participates in β ladder)trans-51.9129.817300000109.5L258 R260 F346L258-G360 WeakPolarHBondContact CD1-O 3.01Å; R260-G360 PolarHBondContact NE-O 3.19Å; F346-G360 PolarHBondContact O-N 2.86Å
361Y98.1Very high90.2Very high2 Ų256.5 Ų56.51%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-119.3-46-171-176.4-122.5000111.2D120 A121 H122 H257 L258 R260 F261 V305 H307 Y317 S359D120-Y361 VanDerWaalsContact OD1-CE1 3.26Å; D120-Y361 WeakPolarHBondContact OD1-CE1 3.36Å; D120-Y361 PolarHBondContact OD1-OH 2.86Å; D120-Y361 PolarHBondContact OD2-OH 2.83Å; A121-Y361 HydrophobicContact CB-CD1 4.35Å; A121-Y361 HydrophobicContact CB-CE1 4.31Å; H122-Y361 HydrophobicContact CB-CE1 3.95Å; H257-Y361 AromaticContact CD2-CE2 3.72Å; H257-Y361 AromaticContact CD2-CZ 3.74Å; H257-Y361 AromaticContact NE2-CE2 3.43Å; H257-Y361 WeakPolarHBondContact NE2-CE2 3.32Å; H257-Y361 AromaticContact NE2-CZ 3.45Å; H257-Y361 PolarHBondContact NE2-OH 3.47Å; L258-Y361 PolarHBondContact N-O 3.46Å; L258-Y361 WeakPolarHBondContact O-CE2 3.5Å; R260-Y361 HydrophobicContact CB-CD2 4.39Å; F261-Y361 AromaticContact CD2-CE2 3.73Å; F261-Y361 HydrophobicContact CD2-CE2 3.73Å; F261-Y361 AromaticContact CD2-CZ 3.8Å; F261-Y361 VanDerWaalsContact CD2-OH 3.32Å; F261-Y361 WeakPolarHBondContact CD2-OH 3.31Å; F261-Y361 HydrophobicContact CE2-CD2 4.27Å; F261-Y361 HydrophobicContact CE2-CE1 4.25Å; F261-Y361 AromaticContact CE2-CE2 3.47Å; F261-Y361 HydrophobicContact CE2-CE2 3.47Å; F261-Y361 VanDerWaalsContact CE2-CE2 3.47Å; F261-Y361 AromaticContact CE2-CZ 3.46Å; F261-Y361 VanDerWaalsContact CE2-CZ 3.46Å; F261-Y361 WeakPolarHBondContact CE2-OH 3.2Å; F261-Y361 HydrophobicContact CZ-CE2 4.42Å; V305-Y361 WeakPolarHBondContact O-CA 3.44Å; V305-Y361 WeakPolarHBondContact O-CB 3.24Å; V305-Y361 PolarHBondContact O-N 3.26Å; H307-Y361 HydrophobicContact CB-CG 4.42Å; Y317-Y361 AromaticContact CE1-CD1 3.71Å; Y317-Y361 HydrophobicContact CE1-CD1 3.71Å; Y317-Y361 HydrophobicContact CE1-CE1 4.11Å; Y317-Y361 HydrophobicContact CE1-CG 4.47Å; S359-Y361 PolarHBondContact O-N 2.97Å
362I98.8Very high90.7Very high0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-126.9128.2172.2-46.3171.6000108.4V49 A121 H122 L125 L256 V304 V305 F364V49-I362 HydrophobicContact CG2-CD1 4.48Å; A121-I362 HydrophobicContact CB-CD1 4.24Å; H122-I362 HydrophobicContact CB-CD1 4.06Å; L125-I362 HydrophobicContact CD2-CD1 4.11Å; L125-I362 HydrophobicContact CD2-CG2 3.92Å; L256-I362 CarbonylContact O-C 3.56Å; L256-I362 VanDerWaalsContact O-CA 3.31Å; L256-I362 WeakPolarHBondContact O-CA 3.35Å; V304-I362 CarbonylContact C-O 3.59Å; V304-I362 WeakPolarHBondContact CA-O 3.49Å; V305-I362 HydrophobicContact CB-CB 4Å; V305-I362 HydrophobicContact CB-CD1 4.47Å; V305-I362 HydrophobicContact CB-CG1 4.34Å; V305-I362 HydrophobicContact CG2-CB 4.31Å; V305-I362 PolarHBondContact N-O 2.93Å; V305-I362 PolarHBondContact O-N 2.91Å; I362-F364 HydrophobicContact CB-CE2 4.24Å; I362-F364 HydrophobicContact CG2-CD2 4.3Å; I362-F364 HydrophobicContact CG2-CE2 3.65Å; I362-F364 HydrophobicContact CG2-CZ 4.01Å
363L98.8Very high91.3Very high0 Ų052.8 Ų52.80%026%0.261CS..EExtended strand (participates in β ladder)trans-111.1132.4-180-45.2173.5000109I211 A255 L256 L258 F279 L301 V304 Y365I211-L363 HydrophobicContact CD1-CD1 3.66Å; I211-L363 HydrophobicContact CG1-CD1 3.61Å; A255-L363 CarbonylContact C-O 3.57Å; A255-L363 WeakPolarHBondContact CA-O 3.19Å; L256-L363 HydrophobicContact CB-CB 4.22Å; L256-L363 PolarHBondContact N-O 2.75Å; L256-L363 PolarHBondContact O-N 3.09Å; L258-L363 HydrophobicContact CD1-CD1 4.45Å; L258-L363 HydrophobicContact CD2-CD1 4.32Å; F279-L363 HydrophobicContact CB-CD1 3.56Å; F279-L363 HydrophobicContact CB-CD2 4.37Å; F279-L363 HydrophobicContact CD1-CD1 4.18Å; F279-L363 HydrophobicContact CD1-CD2 3.89Å; F279-L363 HydrophobicContact CD2-CD2 4.09Å; F279-L363 HydrophobicContact CE1-CD2 4.11Å; F279-L363 HydrophobicContact CE2-CD2 4.32Å; F279-L363 HydrophobicContact CG-CD1 3.95Å; F279-L363 HydrophobicContact CG-CD2 3.88Å; F279-L363 HydrophobicContact CZ-CD2 4.34Å; L301-L363 HydrophobicContact CD1-CB 4.18Å; V304-L363 HydrophobicContact CB-CD2 4.34Å; V304-L363 HydrophobicContact CG1-CD2 3.77Å; V304-L363 HydrophobicContact CG2-CD2 3.88Å; L363-Y365 HydrophobicContact CB-CD2 4.15Å; L363-Y365 HydrophobicContact CB-CE2 3.87Å; L363-Y365 HydrophobicContact CD1-CE2 4.08Å
364F98.8Very high92.1Very high0 Ų051.4 Ų51.40%025%0.254CS..EExtended strand (participates in β ladder)trans-110.3114175.2-67.7-98.1000109.2A52 L53 L125 F175 I253 A255 V302 A303 V305 I362A52-F364 HydrophobicContact CB-CD2 3.84Å; A52-F364 HydrophobicContact CB-CE2 3.55Å; A52-F364 HydrophobicContact CB-CZ 4.11Å; L53-F364 HydrophobicContact CD2-CE1 4.02Å; L125-F364 HydrophobicContact CD1-CE1 4.32Å; L125-F364 HydrophobicContact CD1-CZ 4.03Å; L125-F364 HydrophobicContact CD2-CE1 4.33Å; L125-F364 HydrophobicContact CD2-CZ 3.78Å; F175-F364 HydrophobicContact CE1-CD1 4.19Å; F175-F364 HydrophobicContact CE1-CE1 4.15Å; I253-F364 HydrophobicContact CG2-CD1 4.19Å; A255-F364 HydrophobicContact CB-CD1 4.27Å; A255-F364 HydrophobicContact CB-CE1 4.1Å; V302-F364 HydrophobicContact CG2-CB 3.93Å; V302-F364 VanDerWaalsContact CG2-O 3.28Å; V302-F364 WeakPolarHBondContact CG2-O 3.17Å; V302-F364 PolarHBondContact N-O 3.14Å; A303-F364 HydrophobicContact CB-CB 4.07Å; A303-F364 HydrophobicContact CB-CD2 4.14Å; A303-F364 HydrophobicContact CB-CG 4.38Å; A303-F364 PolarHBondContact N-O 3.44Å; A303-F364 PolarHBondContact O-N 3.34Å; V305-F364 HydrophobicContact CG2-CE2 4.12Å; I362-F364 HydrophobicContact CB-CE2 4.24Å; I362-F364 HydrophobicContact CG2-CD2 4.3Å; I362-F364 HydrophobicContact CG2-CE2 3.65Å; I362-F364 HydrophobicContact CG2-CZ 4.01Å
365Y98.6Very high93.4Very high0 Ų047.4 Ų47.40%022%0.218CC..EExtended strand (participates in β ladder)trans-108.2122.5177.9-84.2-78.2000109.1I253 L254 L256 P280 L283 Y299 D300 L301 L363I253-Y365 CarbonylContact C-O 3.53Å; I253-Y365 VanDerWaalsContact CA-O 3.29Å; I253-Y365 WeakPolarHBondContact CA-O 3.47Å; L254-Y365 PolarHBondContact N-O 3.08Å; L254-Y365 PolarHBondContact O-N 3.38Å; L256-Y365 HydrophobicContact CD1-CD2 3.91Å; L256-Y365 HydrophobicContact CD1-CE2 3.99Å; L256-Y365 HydrophobicContact CG-CD2 4.48Å; P280-Y365 WeakPolarHBondContact CD-OH 3.43Å; P280-Y365 VanDerWaalsContact O-CE1 3.31Å; P280-Y365 WeakPolarHBondContact O-CE1 3.22Å; P280-Y365 PolarHBondContact O-OH 3.41Å; L283-Y365 HydrophobicContact CB-CD1 3.84Å; L283-Y365 HydrophobicContact CB-CE1 3.58Å; L283-Y365 HydrophobicContact CD2-CD1 4.28Å; L283-Y365 HydrophobicContact CD2-CD2 4.13Å; L283-Y365 HydrophobicContact CD2-CE1 4.22Å; L283-Y365 HydrophobicContact CD2-CE2 4.06Å; L283-Y365 HydrophobicContact CD2-CG 4.23Å; Y299-Y365 WeakPolarHBondContact CD1-O 3.39Å; D300-Y365 CarbonylContact O-C 3.5Å; D300-Y365 WeakPolarHBondContact O-CA 3.3Å; L301-Y365 HydrophobicContact CB-CD1 4.13Å; L301-Y365 HydrophobicContact CB-CE1 3.72Å; L301-Y365 HydrophobicContact CD1-CD1 4.33Å; L301-Y365 HydrophobicContact CD1-CD2 4.18Å; L301-Y365 HydrophobicContact CD1-CE1 3.98Å; L301-Y365 HydrophobicContact CD1-CE2 3.82Å; L301-Y365 HydrophobicContact CD1-CG 4.42Å; L301-Y365 HydrophobicContact CG-CE1 4.43Å; L363-Y365 HydrophobicContact CB-CD2 4.15Å; L363-Y365 HydrophobicContact CB-CE2 3.87Å; L363-Y365 HydrophobicContact CD1-CE2 4.08Å
366Q98.1Very high94.4Very high46 Ų4642.2 Ų42.222%0.21520%0.197CC..EExtended strand (participates in β ladder)trans-100.9130.6176.1-178.9172.5-16.900110.4I253 Y299 D300 V302I253-Q366 HydrophobicContact CG1-CB 4.44Å; I253-Q366 HydrophobicContact CG1-CG 4.32Å; Y299-Q366 CarbonylContact C-O 3.52Å; Y299-Q366 VanDerWaalsContact CA-O 3.29Å; Y299-Q366 WeakPolarHBondContact CA-O 3.47Å; Y299-Q366 VanDerWaalsContact CD1-C 3.45Å; D300-Q366 PolarHBondContact N-O 2.96Å; D300-Q366 PolarHBondContact O-N 3.24Å; V302-Q366 HydrophobicContact CG1-CB 3.63Å; V302-Q366 HydrophobicContact CG2-CB 4.14Å
367S96Very high95.2Very high11 Ų1137.4 Ų37.48%0.07717%0.169CC..EExtended strand (participates in β ladder)trans-67.9147.9176.4560000112.2M252 M298 Y299 E369M252-S367 WeakPolarHBondContact CA-OG 3.29Å; M252-S367 WeakPolarHBondContact O-CB 3.4Å; M252-S367 PolarHBondContact O-N 3.35Å; M252-S367 PolarHBondContact O-OG 3.23Å; M298-S367 WeakPolarHBondContact O-CA 3.45Å; Y299-S367 VanDerWaalsContact CD1-N 3.27Å; S367-E369 VanDerWaalsContact C-N 3.35Å
368R92.1Very high95.6Very high129 Ų12940.1 Ų40.149%0.48718%0.18SC..  trans-75.4-23.7174.2-68.3-173.3-178.6166.86.8113.5E282 M298 D300E282-R368 IonicContact OE1-NH2 3.59Å; E282-R368 PolarHBondContact OE1-NH2 2.96Å; E282-R368 IonicContact OE2-CZ 3.29Å; E282-R368 IonicContact OE2-NH1 2.89Å; E282-R368 IonicContact OE2-NH2 3.68Å; E282-R368 PolarHBondContact OE2-NH2 2.76Å; M298-R368 HydrophobicContact CB-CG 4.35Å; M298-R368 PolarHBondContact O-N 3Å; D300-R368 IonicContact OD1-CZ 2.65Å; D300-R368 IonicContact OD1-NE 2.69Å; D300-R368 PolarHBondContact OD1-NE 3.02Å; D300-R368 IonicContact OD1-NH2 2.61Å; D300-R368 PolarHBondContact OD1-NH2 2.86Å; D300-R368 VanDerWaalsContact OD2-CG 3.23Å; D300-R368 WeakPolarHBondContact OD2-CG 2.89Å; D300-R368 IonicContact OD2-CZ 3.8Å; D300-R368 IonicContact OD2-NE 3.08Å; D300-R368 PolarHBondContact OD2-NE 3.16Å; D300-R368 IonicContact OD2-NH2 2.73Å
369E78.6Confident95.7Very high196 Ų19634.9 Ų34.992%0.91616%0.155SC*.  trans-139.70-176.5-65.9-177.8-175.700113.2R297 S367R297-E369 VanDerWaalsContact CZ-O 3.24Å; R297-E369 PolarHBondContact NE-O 2.77Å; R297-E369 PolarHBondContact NH2-O 3.48Å; S367-E369 VanDerWaalsContact C-N 3.35Å

Retrieved 369 of 369 residues in 286.9 ms (Link to these results)

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