A0A087XV93_POEFO Loading...

Fructose-bisphosphate aldolase

AlphaFold DB , UniProt , Accession A0A087XV93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 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
1M50.2Low88.6Confident229 Ų229118.3 Ų118.3100%1.12863%0.632SS**  0129.80-74.8-169.2-87.100107.9
2T73.2Confident89.4Confident143 Ų143113 Ų11388%0.87760%0.601SS**  trans-87.3-2.8-176.145.20000113.9
3H85.3Confident90.1Very high151 Ų151109.8 Ų109.870%0.69958%0.579SS**  trans-104.7133.5179.4-67.5-78.5000110.7F5H3-F5 HydrophobicContact CB-CE2 4.47Å
4Q86.1Confident90.8Very high166 Ų166112.6 Ų112.678%0.77658%0.578SS**  trans-100.8124.4-179.9-173.3177.413.300110.2
5F94.1Very high91.3Very high176 Ų176110.2 Ų110.277%0.77256%0.563SS**  trans-106.1111163.7-62.7-82000107.1H3 A7H3-F5 HydrophobicContact CB-CE2 4.47Å; F5-A7 PolarHBondContact O-N 3.37Å; F5-A7 VanDerWaalsContact O-N 3.14Å
6P94.5Very high91.8Very high104 Ų104103.4 Ų103.468%0.67553%0.528SS*.  trans-60.1119.2-176.1-2534.5000111.6L8P6-L8 VanDerWaalsContact C-N 3.33Å
7A96.9Very high92.2Very high39 Ų39101 Ų10132%0.32251%0.514SS..SBendtrans-70.5-30.4175.600000112.2F5 Q180 H221F5-A7 PolarHBondContact O-N 3.37Å; F5-A7 VanDerWaalsContact O-N 3.14Å; A7-Q180 PolarHBondContact O-NE2 2.99Å; A7-H221 HydrophobicContact CB-CB 4.44Å
8L98.5Very high92.6Very high11 Ų11101.3 Ų101.36%0.05851%0.513CS..SBendtrans-134.1140.4-175.3-60.1170000110.3P6 Q12 K13 L16 Q179 Y223P6-L8 VanDerWaalsContact C-N 3.33Å; L8-Q12 HydrophobicContact CB-CB 4.21Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; L8-K13 HydrophobicContact CB-CG 3.93Å; L8-K13 HydrophobicContact CD1-CG 4.3Å; L8-L16 HydrophobicContact CD1-CD1 3.75Å; L8-L16 HydrophobicContact CD2-CD1 4.46Å; L8-Q179 HydrophobicContact CD1-CB 4.2Å; L8-Q179 HydrophobicContact CD2-CB 4.29Å; L8-Y223 HydrophobicContact CD1-CD1 4.38Å; L8-Y223 HydrophobicContact CD1-CG 4.31Å
9S98.5Very high92.9Very high58 Ų5896.9 Ų96.941%0.40649%0.492SS..  trans-68163.5165.965.30000111.7A11 Q12 K13S9-A11 VanDerWaalsContact C-N 3.28Å; S9-A11 PolarHBondContact O-N 2.98Å; S9-Q12 PolarHBondContact O-N 2.93Å; S9-Q12 WeakPolarHBondContact OG-CG 3.47Å; S9-Q12 PolarHBondContact OG-N 3.3Å; S9-Q12 PolarHBondContact OG-OE1 3.47Å; S9-K13 WeakPolarHBondContact O-CG 3.35Å; S9-K13 PolarHBondContact O-N 3.35Å
10E98.4Very high93.2Very high170 Ų17092.1 Ų92.179%0.79447%0.467SS*.Hα-helixtrans-59.3-38.8175.3-63.9-173.7149.200112.6K13 R14E10-K13 PolarHBondContact O-N 3.01Å; E10-R14 WeakPolarHBondContact O-CB 3.39Å; E10-R14 PolarHBondContact O-N 3.39Å
11A98.6Very high93.5Very high54 Ų5491.3 Ų91.345%0.44646%0.464SS..Hα-helixtrans-63.3-43.7177.500000111.9S9 R14 E15S9-A11 VanDerWaalsContact C-N 3.28Å; S9-A11 PolarHBondContact O-N 2.98Å; A11-R14 PolarHBondContact O-N 3.26Å; A11-E15 PolarHBondContact O-N 2.82Å
12Q98.8Very high95.8Very high55 Ų5586.8 Ų86.826%0.25743%0.434SS..Hα-helixtrans-64.7-42.4175.6-73166-56.900111.7L8 S9 R14 E15 L16L8-Q12 HydrophobicContact CB-CB 4.21Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; S9-Q12 PolarHBondContact O-N 2.93Å; S9-Q12 WeakPolarHBondContact OG-CG 3.47Å; S9-Q12 PolarHBondContact OG-N 3.3Å; S9-Q12 PolarHBondContact OG-OE1 3.47Å; Q12-R14 VanDerWaalsContact C-N 3.35Å; Q12-R14 PolarHBondContact O-N 3.06Å; Q12-E15 PolarHBondContact O-N 3.39Å; Q12-L16 WeakPolarHBondContact O-CG 3.39Å; Q12-L16 PolarHBondContact O-N 2.69Å
13K98.9Very high97Very high72 Ų7280 Ų8031%0.31339%0.393SS..Hα-helixtrans-59.1-45.5175.3-74.2-179.6179.2-178.50111.8L8 S9 E10 L16 H17 Y223L8-K13 HydrophobicContact CB-CG 3.93Å; L8-K13 HydrophobicContact CD1-CG 4.3Å; S9-K13 WeakPolarHBondContact O-CG 3.35Å; S9-K13 PolarHBondContact O-N 3.35Å; E10-K13 PolarHBondContact O-N 3.01Å; K13-L16 PolarHBondContact O-N 2.98Å; K13-H17 VanDerWaalsContact O-CB 3.31Å; K13-H17 WeakPolarHBondContact O-CB 3.12Å; K13-H17 PolarHBondContact O-N 3.48Å; K13-Y223 HydrophobicContact CB-CD1 4.21Å; K13-Y223 HydrophobicContact CB-CE1 3.67Å; K13-Y223 HydrophobicContact CB-CE2 4.39Å; K13-Y223 HydrophobicContact CD-CD2 4.2Å; K13-Y223 HydrophobicContact CD-CE2 3.93Å; K13-Y223 HydrophobicContact CG-CD1 4Å; K13-Y223 HydrophobicContact CG-CD2 4.21Å; K13-Y223 HydrophobicContact CG-CE1 3.9Å; K13-Y223 HydrophobicContact CG-CE2 4.1Å; K13-Y223 HydrophobicContact CG-CG 4.15Å; K13-Y223 WeakPolarHBondContact O-CE1 3.45Å
14R98.8Very high97.6Very high149 Ų14972.9 Ų72.956%0.56236%0.36SS*.Hα-helixtrans-61.2-48.9177.7-177.8174.962.4-131.1-2.6111.5E10 A11 Q12 L16 H17 E18E10-R14 WeakPolarHBondContact O-CB 3.39Å; E10-R14 PolarHBondContact O-N 3.39Å; A11-R14 PolarHBondContact O-N 3.26Å; Q12-R14 VanDerWaalsContact C-N 3.35Å; Q12-R14 PolarHBondContact O-N 3.06Å; R14-L16 VanDerWaalsContact C-N 3.35Å; R14-L16 PolarHBondContact O-N 3.22Å; R14-H17 PolarHBondContact O-N 2.91Å; R14-E18 WeakPolarHBondContact CD-OE1 3.33Å; R14-E18 HydrophobicContact CG-CG 4.21Å; R14-E18 WeakPolarHBondContact CG-OE1 3.31Å; R14-E18 WeakPolarHBondContact O-CB 3.31Å; R14-E18 WeakPolarHBondContact O-CG 3.41Å; R14-E18 PolarHBondContact O-N 2.76Å
15E98.8Very high98.2Very high76 Ų7666.8 Ų66.836%0.35534%0.336SS..Hα-helixtrans-56.1-48178.6-177.3-172.8-176.800112A11 Q12 T19 K139A11-E15 PolarHBondContact O-N 2.82Å; Q12-E15 PolarHBondContact O-N 3.39Å; E15-T19 VanDerWaalsContact O-CB 3.31Å; E15-T19 WeakPolarHBondContact O-CB 3.36Å; E15-T19 PolarHBondContact O-N 3.4Å; E15-T19 PolarHBondContact O-OG1 3.13Å; E15-K139 WeakPolarHBondContact OE1-CE 3.35Å; E15-K139 IonicContact OE1-NZ 3.34Å; E15-K139 PolarHBondContact OE1-NZ 3.39Å
16L98.9Very high98.4Very high1 Ų164.2 Ų64.21%0.00534%0.337CS..Hα-helixtrans-65.2-44.4-179.8-69.7166.3000111.7L8 Q12 K13 R14 T19 A20 Q179 V184L8-L16 HydrophobicContact CD1-CD1 3.75Å; L8-L16 HydrophobicContact CD2-CD1 4.46Å; Q12-L16 WeakPolarHBondContact O-CG 3.39Å; Q12-L16 PolarHBondContact O-N 2.69Å; K13-L16 PolarHBondContact O-N 2.98Å; R14-L16 VanDerWaalsContact C-N 3.35Å; R14-L16 PolarHBondContact O-N 3.22Å; L16-T19 PolarHBondContact O-N 3.02Å; L16-A20 WeakPolarHBondContact O-CB 3.3Å; L16-A20 PolarHBondContact O-N 3.01Å; L16-Q179 HydrophobicContact CD1-CB 3.88Å; L16-Q179 HydrophobicContact CD1-CG 3.89Å; L16-Q179 HydrophobicContact CD2-CG 4.47Å; L16-V184 HydrophobicContact CB-CG2 4.34Å; L16-V184 HydrophobicContact CD2-CG2 3.89Å; L16-V184 VanDerWaalsContact O-CG2 3.24Å; L16-V184 WeakPolarHBondContact O-CG2 3.49Å
17H98.9Very high98.5Very high63 Ų6359.6 Ų59.629%0.29231%0.307SS..Hα-helixtrans-66.1-47-178.9-176-158.7000111.9K13 R14 T19 A20 L21 Y223 E225K13-H17 VanDerWaalsContact O-CB 3.31Å; K13-H17 WeakPolarHBondContact O-CB 3.12Å; K13-H17 PolarHBondContact O-N 3.48Å; R14-H17 PolarHBondContact O-N 2.91Å; H17-T19 VanDerWaalsContact C-N 3.29Å; H17-T19 PolarHBondContact O-N 2.96Å; H17-A20 PolarHBondContact O-N 3.2Å; H17-L21 WeakPolarHBondContact O-CG 3.48Å; H17-L21 PolarHBondContact O-N 3.38Å; H17-Y223 HydrophobicContact CB-CE1 4.3Å; H17-E225 WeakPolarHBondContact CA-O 3.42Å; H17-E225 HydrophobicContact CB-CB 4.44Å; H17-E225 PolarHBondContact CD2-O 3.29Å
18E98.8Very high98.6Very high107 Ų10760 Ų6050%0.530%0.302SS..Hα-helixtrans-60.7-39.9176.2-72.6174.8-177.300111.5R14 R22R14-E18 WeakPolarHBondContact CD-OE1 3.33Å; R14-E18 HydrophobicContact CG-CG 4.21Å; R14-E18 WeakPolarHBondContact CG-OE1 3.31Å; R14-E18 WeakPolarHBondContact O-CB 3.31Å; R14-E18 WeakPolarHBondContact O-CG 3.41Å; R14-E18 PolarHBondContact O-N 2.76Å; E18-R22 WeakPolarHBondContact O-CB 3.09Å; E18-R22 VanDerWaalsContact O-CG 3.3Å; E18-R22 WeakPolarHBondContact O-CG 3.23Å; E18-R22 PolarHBondContact O-N 3.03Å
19T98.9Very high98.6Very high17 Ų1759.4 Ų59.410%0.10430%0.299CS..Hα-helixtrans-62.2-47.8174.9-61.30000111.1E15 L16 H17 L21 R22 I23 L104 V144 V184E15-T19 VanDerWaalsContact O-CB 3.31Å; E15-T19 WeakPolarHBondContact O-CB 3.36Å; E15-T19 PolarHBondContact O-N 3.4Å; E15-T19 PolarHBondContact O-OG1 3.13Å; L16-T19 PolarHBondContact O-N 3.02Å; H17-T19 VanDerWaalsContact C-N 3.29Å; H17-T19 PolarHBondContact O-N 2.96Å; T19-L21 PolarHBondContact O-N 2.92Å; T19-R22 PolarHBondContact O-N 3.14Å; T19-I23 HydrophobicContact CG2-CD1 4.32Å; T19-I23 WeakPolarHBondContact O-CG1 3.44Å; T19-I23 PolarHBondContact O-N 2.61Å; T19-I23 VanDerWaalsContact O-N 3.15Å; T19-L104 HydrophobicContact CG2-CD1 4.13Å; T19-V144 HydrophobicContact CG2-CB 3.94Å; T19-V144 HydrophobicContact CG2-CG2 3.66Å; T19-V184 HydrophobicContact CG2-CB 4.44Å; T19-V184 HydrophobicContact CG2-CG2 3.63Å
20A98.9Very high98.7Very high0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-60.4-45.8179.400000111.8L16 H17 R22 I23 V24 V184 L228 P266L16-A20 WeakPolarHBondContact O-CB 3.3Å; L16-A20 PolarHBondContact O-N 3.01Å; H17-A20 PolarHBondContact O-N 3.2Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 2.9Å; A20-I23 WeakPolarHBondContact O-CB 3.48Å; A20-I23 PolarHBondContact O-N 3.22Å; A20-V24 WeakPolarHBondContact O-CG2 3.22Å; A20-V24 PolarHBondContact O-N 3.49Å; A20-V184 HydrophobicContact CB-CG1 4.06Å; A20-V184 HydrophobicContact CB-CG2 4.42Å; A20-L228 HydrophobicContact CB-CD2 4.5Å; A20-L228 HydrophobicContact CB-CG 4.48Å; A20-P266 HydrophobicContact CB-CG 3.66Å
21L98.8Very high98.7Very high77 Ų7748.7 Ų48.740%0.40324%0.242SC..Hα-helixtrans-62.5-36.4176.8-70.1175.7000113.2H17 T19 I23 V24 S25 P266H17-L21 WeakPolarHBondContact O-CG 3.48Å; H17-L21 PolarHBondContact O-N 3.38Å; T19-L21 PolarHBondContact O-N 2.92Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-V24 CarbonylContact O-C 3.52Å; L21-V24 PolarHBondContact O-N 3.14Å; L21-S25 PolarHBondContact O-N 2.74Å; L21-S25 PolarHBondContact O-OG 3.47Å; L21-P266 HydrophobicContact CD2-CB 3.91Å
22R98.8Very high98.7Very high134 Ų13446.3 Ų46.351%0.50622%0.223SC..Hα-helixtrans-65.6-36.8175.2-77.9179.964.4-179.40.5112.7E18 T19 A20 V24 S25 L104E18-R22 WeakPolarHBondContact O-CB 3.09Å; E18-R22 VanDerWaalsContact O-CG 3.3Å; E18-R22 WeakPolarHBondContact O-CG 3.23Å; E18-R22 PolarHBondContact O-N 3.03Å; T19-R22 PolarHBondContact O-N 3.14Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 2.9Å; R22-V24 VanDerWaalsContact C-N 3.32Å; R22-S25 WeakPolarHBondContact CA-OG 3.42Å; R22-S25 PolarHBondContact O-OG 3.41Å; R22-L104 HydrophobicContact CB-CD1 3.71Å
23I98.8Very high98.7Very high0 Ų043.7 Ų43.70%021%0.211CC..Hα-helixtrans-63.5-41.1176.8-64.6167.4000110.5T19 A20 L21 I30 G75 L104 F145 L228T19-I23 HydrophobicContact CG2-CD1 4.32Å; T19-I23 WeakPolarHBondContact O-CG1 3.44Å; T19-I23 PolarHBondContact O-N 2.61Å; T19-I23 VanDerWaalsContact O-N 3.15Å; A20-I23 WeakPolarHBondContact O-CB 3.48Å; A20-I23 PolarHBondContact O-N 3.22Å; L21-I23 VanDerWaalsContact C-N 3.35Å; I23-I30 HydrophobicContact CG2-CD1 3.51Å; I23-I30 HydrophobicContact CG2-CG1 3.53Å; I23-G75 WeakPolarHBondContact O-CA 2.94Å; I23-L104 HydrophobicContact CG1-CB 4.42Å; I23-L104 HydrophobicContact CG1-CD1 3.63Å; I23-F145 HydrophobicContact CD1-CB 3.75Å; I23-F145 HydrophobicContact CD1-CD1 3.72Å; I23-F145 HydrophobicContact CD1-CD2 4.14Å; I23-F145 HydrophobicContact CD1-CE1 4.28Å; I23-F145 HydrophobicContact CD1-CG 3.64Å; I23-F145 HydrophobicContact CG1-CD1 4.39Å; I23-L228 HydrophobicContact CB-CD1 3.99Å; I23-L228 HydrophobicContact CD1-CD1 3.9Å; I23-L228 HydrophobicContact CG2-CD1 3.68Å
24V98.6Very high98.7Very high1 Ų140.7 Ų40.71%0.00620%0.198CC..THydrogen-bonded Turntrans-105.828.3-175.8-56.60000113.3A20 L21 R22 L228 C269 V297 T299A20-V24 WeakPolarHBondContact O-CG2 3.22Å; A20-V24 PolarHBondContact O-N 3.49Å; L21-V24 CarbonylContact O-C 3.52Å; L21-V24 PolarHBondContact O-N 3.14Å; R22-V24 VanDerWaalsContact C-N 3.32Å; V24-L228 HydrophobicContact CG1-CD1 4.16Å; V24-L228 HydrophobicContact CG1-CD2 3.62Å; V24-L228 HydrophobicContact CG2-CD2 4.36Å; V24-C269 VanDerWaalsContact CG1-SG 3.5Å; V24-V297 HydrophobicContact CB-CB 4.14Å; V24-V297 HydrophobicContact CB-CG1 4.03Å; V24-V297 HydrophobicContact CG2-CB 4.1Å; V24-V297 HydrophobicContact CG2-CG1 4.5Å; V24-V297 HydrophobicContact CG2-CG2 4.14Å; V24-T299 HydrophobicContact CB-CG2 4.33Å; V24-T299 HydrophobicContact CG1-CG2 3.92Å
25S98.3Very high98.6Very high39 Ų3934.3 Ų34.327%0.27317%0.174SC..  trans-57.4153.3175.8-65.50000111.1L21 R22 G27 K28L21-S25 PolarHBondContact O-N 2.74Å; L21-S25 PolarHBondContact O-OG 3.47Å; R22-S25 WeakPolarHBondContact CA-OG 3.42Å; R22-S25 PolarHBondContact O-OG 3.41Å; S25-G27 PolarHBondContact O-N 3.16Å; S25-K28 WeakPolarHBondContact O-CA 3.49Å; S25-K28 VanDerWaalsContact O-CB 3.26Å; S25-K28 WeakPolarHBondContact O-CB 3.41Å; S25-K28 PolarHBondContact O-N 3.1Å
26P97.4Very high98.4Very high122 Ų12232.4 Ų32.479%0.79217%0.17SC*.THydrogen-bonded Turntrans-50.2130.6-175.2-29.335.5000113.3K28P26-K28 PolarHBondContact O-N 3.11Å
27G98.1Very high98.3Very high6 Ų635 Ų356%0.06219%0.186CC..THydrogen-bonded Turntrans79.3-3.8-177.100000115S25 S336 C339S25-G27 PolarHBondContact O-N 3.16Å; G27-S336 WeakPolarHBondContact O-CA 3.47Å; G27-S336 VanDerWaalsContact O-CB 3.24Å; G27-S336 WeakPolarHBondContact O-CB 3.46Å; G27-S336 PolarHBondContact O-OG 3.47Å; G27-C339 VanDerWaalsContact C-SG 3.55Å; G27-C339 VanDerWaalsContact CA-SG 3.56Å
28K98.9Very high98Very high47 Ų4734.1 Ų34.120%0.20419%0.193CC..  trans-103.1147.1-177.5-58.7-162.6-175.8-157.90113.2S25 P26 N71 S72 C73 T299S25-K28 WeakPolarHBondContact O-CA 3.49Å; S25-K28 VanDerWaalsContact O-CB 3.26Å; S25-K28 WeakPolarHBondContact O-CB 3.41Å; S25-K28 PolarHBondContact O-N 3.1Å; P26-K28 PolarHBondContact O-N 3.11Å; K28-N71 VanDerWaalsContact CE-O 3.28Å; K28-N71 WeakPolarHBondContact CE-O 3.32Å; K28-N71 PolarHBondContact NZ-O 3.06Å; K28-S72 WeakPolarHBondContact CG-O 3.05Å; K28-C73 CarbonylContact C-O 3.48Å; K28-C73 VanDerWaalsContact CA-O 3.28Å; K28-C73 WeakPolarHBondContact CA-O 3.37Å; K28-T299 WeakPolarHBondContact O-CB 3.47Å; K28-T299 PolarHBondContact O-OG1 3.26Å
29G98.8Very high97.8Very high0 Ų031.8 Ų31.80%019%0.189CC..EExtended strand (participates in β ladder)trans-137.1-160.8167.400000112.1C73 I74 G75 G76 T299 F300G29-C73 PolarHBondContact N-O 3.01Å; G29-I74 CarbonylContact O-C 3.17Å; G29-G75 PolarHBondContact O-N 2.83Å; G29-G76 PolarHBondContact O-N 2.82Å; G29-T299 WeakPolarHBondContact CA-OG1 3.41Å; G29-F300 CarbonylContact C-O 3.58Å; G29-F300 WeakPolarHBondContact CA-O 3.41Å
30I98.9Very high97.7Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-118.4129.6-174.3-59.1171.1000110.3I23 G76 I78 F145 L228 C269 F300 S301 F302I23-I30 HydrophobicContact CG2-CD1 3.51Å; I23-I30 HydrophobicContact CG2-CG1 3.53Å; I30-G76 VanDerWaalsContact CA-O 3.26Å; I30-G76 WeakPolarHBondContact CA-O 3.09Å; I30-I78 HydrophobicContact CG2-CD1 3.77Å; I30-I78 HydrophobicContact CG2-CG1 3.51Å; I30-F145 HydrophobicContact CD1-CE2 4.38Å; I30-F145 HydrophobicContact CG2-CE2 4.44Å; I30-F145 HydrophobicContact CG2-CZ 4.44Å; I30-L228 HydrophobicContact CD1-CD1 4.41Å; I30-C269 HydrophobicContact CD1-CB 4.07Å; I30-F300 PolarHBondContact N-O 3.36Å; I30-S301 CarbonylContact O-C 3.6Å; I30-S301 WeakPolarHBondContact O-CA 3.16Å; I30-F302 PolarHBondContact O-N 3.35Å
31L98.9Very high97.6Very high2 Ų232.6 Ų32.61%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-81.7114.7162.9170.963000109A33 L63 F64 I74 G76 V77 I78 L306 Q307 F328L31-A33 HydrophobicContact CD2-CB 4.41Å; L31-A33 HydrophobicContact CG-CB 4.17Å; L31-A33 PolarHBondContact O-N 3.21Å; L31-L63 HydrophobicContact CD2-CB 4.31Å; L31-L63 HydrophobicContact CD2-CD1 4.43Å; L31-F64 HydrophobicContact CD2-CE1 4.17Å; L31-I74 HydrophobicContact CB-CD1 4.44Å; L31-I74 HydrophobicContact CB-CG2 4.38Å; L31-G76 PolarHBondContact N-O 3Å; L31-V77 HydrophobicContact CB-CG1 4.05Å; L31-V77 HydrophobicContact CB-CG2 4.28Å; L31-V77 HydrophobicContact CD2-CG1 3.86Å; L31-V77 HydrophobicContact CD2-CG2 4.47Å; L31-V77 HydrophobicContact CG-CG1 3.94Å; L31-V77 CarbonylContact O-C 3.07Å; L31-V77 WeakPolarHBondContact O-CA 3.14Å; L31-V77 WeakPolarHBondContact O-CG1 3.02Å; L31-I78 PolarHBondContact O-N 3.13Å; L31-L306 HydrophobicContact CB-CD1 4.3Å; L31-L306 HydrophobicContact CD1-CB 4.07Å; L31-L306 HydrophobicContact CD1-CD1 3.96Å; L31-Q307 HydrophobicContact CD1-CG 4.1Å; L31-F328 HydrophobicContact CD1-CE2 4.03Å; L31-F328 HydrophobicContact CD2-CE2 4Å; L31-F328 HydrophobicContact CD2-CZ 3.87Å; L31-F328 HydrophobicContact CG-CE2 4.46Å
32A98.8Very high97.4Very high4 Ų436.5 Ų36.53%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-89.889.7174.800000109.8D34 I78 F302 G303 Q307A32-D34 WeakPolarHBondContact CB-OD1 3.41Å; A32-I78 HydrophobicContact CB-CD1 4.29Å; A32-F302 PolarHBondContact N-O 3.43Å; A32-G303 WeakPolarHBondContact O-CA 3.47Å; A32-Q307 PolarHBondContact O-NE2 3.15Å
33A98.5Very high97.2Very high0 Ų032 Ų320%019%0.193CC..EExtended strand (participates in β ladder)trans-10634.2179.800000111.6L31 E35 R60 F64 V77 I78L31-A33 HydrophobicContact CD2-CB 4.41Å; L31-A33 HydrophobicContact CG-CB 4.17Å; L31-A33 PolarHBondContact O-N 3.21Å; A33-E35 WeakPolarHBondContact CA-OE2 3.12Å; A33-R60 VanDerWaalsContact O-CZ 3.26Å; A33-R60 PolarHBondContact O-NE 2.65Å; A33-R60 PolarHBondContact O-NH2 3.09Å; A33-F64 HydrophobicContact CB-CE1 4.36Å; A33-F64 HydrophobicContact CB-CZ 4.36Å; A33-V77 HydrophobicContact CB-CG1 4.17Å; A33-I78 CarbonylContact C-O 3.57Å; A33-I78 VanDerWaalsContact CA-O 3.29Å; A33-I78 WeakPolarHBondContact CA-O 3.32Å; A33-I78 PolarHBondContact N-O 3.35Å
34D98.4Very high97.2Very high9 Ų932 Ų325%0.04819%0.193CC..  trans-107.822-170.365.4-58.5000113.7A32 S36 I78 F79 K108 K147A32-D34 WeakPolarHBondContact CB-OD1 3.41Å; D34-S36 PolarHBondContact O-N 2.98Å; D34-I78 HydrophobicContact CB-CB 3.98Å; D34-I78 HydrophobicContact CB-CG2 3.57Å; D34-I78 PolarHBondContact N-O 2.96Å; D34-F79 WeakPolarHBondContact CB-O 3.34Å; D34-K108 HydrophobicContact CB-CB 3.81Å; D34-K108 HydrophobicContact CB-CD 4.4Å; D34-K108 WeakPolarHBondContact O-CD 3.15Å; D34-K108 WeakPolarHBondContact OD2-CD 3.45Å; D34-K147 WeakPolarHBondContact OD2-CD 3.35Å; D34-K147 WeakPolarHBondContact OD2-CE 3.26Å; D34-K147 IonicContact OD2-NZ 3.26Å; D34-K147 PolarHBondContact OD2-NZ 3.27Å
35E97.7Very high97.1Very high15 Ų1535.4 Ų35.47%0.0722%0.222CC..  trans-56.2127.4172.1-6082.5-174.900109.9A33 M40 R43 R60 Q307A33-E35 WeakPolarHBondContact CA-OE2 3.12Å; E35-M40 HydrophobicContact CB-CG 3.6Å; E35-M40 HydrophobicContact CB-SD 3.6Å; E35-M40 VanDerWaalsContact CB-SD 3.6Å; E35-M40 HydrophobicContact CG-SD 3.94Å; E35-R43 IonicContact OE1-CZ 3.71Å; E35-R43 IonicContact OE1-NE 3.07Å; E35-R43 IonicContact OE1-NH1 2.65Å; E35-R43 PolarHBondContact OE1-NH1 2.77Å; E35-R43 IonicContact OE1-NH2 2.8Å; E35-R43 PolarHBondContact OE1-NH2 3.36Å; E35-R60 IonicContact OE2-CZ 2.77Å; E35-R60 VanDerWaalsContact OE2-CZ 3.32Å; E35-R60 IonicContact OE2-NH1 2.64Å; E35-R60 IonicContact OE2-NH2 3.39Å; E35-R60 PolarHBondContact OE2-NH2 2.84Å; E35-Q307 PolarHBondContact OE1-NE2 3.48Å; E35-Q307 PolarHBondContact OE1-OE1 2.88Å
36S94.8Very high96.9Very high36 Ų3640.8 Ų40.825%0.25224%0.243SC..  trans-64.3167.9171.669.30000110.7D34 G38 S39 M40D34-S36 PolarHBondContact O-N 2.98Å; S36-G38 PolarHBondContact O-N 3.26Å; S36-S39 PolarHBondContact O-N 3.18Å; S36-S39 PolarHBondContact OG-N 2.92Å; S36-S39 PolarHBondContact OG-OG 2.84Å; S36-M40 PolarHBondContact O-N 3.08Å
37V95.6Very high96.9Very high57 Ų5736.3 Ų36.335%0.34521%0.213SC..Hα-helixtrans-50.2-44175.2179.20000111.9A41 N51 F80V37-A41 PolarHBondContact O-N 3.03Å; V37-N51 PolarHBondContact O-ND2 2.9Å; V37-N51 VanDerWaalsContact O-ND2 3.1Å; V37-F80 HydrophobicContact CG2-CE1 4.25Å
38G94.3Very high96.8Very high44 Ų4439.5 Ų39.545%0.45425%0.246SC..Hα-helixtrans-70.5-35.1177.700000114S36 A41 K42S36-G38 PolarHBondContact O-N 3.26Å; G38-A41 WeakPolarHBondContact O-CB 3.5Å; G38-A41 PolarHBondContact O-N 3.46Å; G38-K42 PolarHBondContact O-N 2.93Å
39S93.9Very high96.8Very high58 Ų5838 Ų3841%0.40624%0.241SC..Hα-helixtrans-69.8-39174.3-67.30000112S36 K42 R43S36-S39 PolarHBondContact O-N 3.18Å; S36-S39 PolarHBondContact OG-N 2.92Å; S36-S39 PolarHBondContact OG-OG 2.84Å; S39-K42 PolarHBondContact O-N 3.3Å; S39-R43 PolarHBondContact O-N 2.98Å
40M96.4Very high96.7Very high1 Ų144.8 Ų44.81%0.00527%0.273CS..Hα-helixtrans-66.5-36.2173.6-79.9-52.3-64.800112.1E35 S36 K42 R43 L44 R56 F59 R60E35-M40 HydrophobicContact CB-CG 3.6Å; E35-M40 HydrophobicContact CB-SD 3.6Å; E35-M40 VanDerWaalsContact CB-SD 3.6Å; E35-M40 HydrophobicContact CG-SD 3.94Å; S36-M40 PolarHBondContact O-N 3.08Å; M40-K42 VanDerWaalsContact C-N 3.28Å; M40-K42 PolarHBondContact O-N 3.25Å; M40-R43 PolarHBondContact O-N 2.91Å; M40-L44 HydrophobicContact CE-CD1 4.34Å; M40-L44 HydrophobicContact CE-CD2 4.21Å; M40-L44 HydrophobicContact CE-CG 4.07Å; M40-L44 WeakPolarHBondContact O-CG 3.48Å; M40-L44 PolarHBondContact O-N 3.16Å; M40-R56 HydrophobicContact CB-CG 4.15Å; M40-R56 HydrophobicContact CG-CG 4.39Å; M40-F59 HydrophobicContact CE-CD1 3.71Å; M40-F59 HydrophobicContact CE-CE1 4.31Å; M40-R60 PolarHBondContact SD-NH1 2.66Å; M40-R60 VanDerWaalsContact SD-NH1 3.38Å
41A96.6Very high96.7Very high32 Ų3247.2 Ų47.226%0.26429%0.285SS..Hα-helixtrans-52.1-48.2174.400000111.8V37 G38 R43 A45 N51V37-A41 PolarHBondContact O-N 3.03Å; G38-A41 WeakPolarHBondContact O-CB 3.5Å; G38-A41 PolarHBondContact O-N 3.46Å; A41-R43 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.45Å; A41-A45 VanDerWaalsContact O-CB 3.27Å; A41-A45 WeakPolarHBondContact O-CB 3.24Å; A41-A45 PolarHBondContact O-N 3.1Å; A41-N51 HydrophobicContact CB-CB 4.16Å; A41-N51 VanDerWaalsContact CB-ND2 3.32Å; A41-N51 WeakPolarHBondContact CB-ND2 3.37Å
42K95.6Very high96.6Very high159 Ų15949.1 Ų49.169%0.69130%0.297SS*.Hα-helixtrans-63-36.6178.4-64.3-177.1-177.9-175.50112.4G38 S39 M40 Q46G38-K42 PolarHBondContact O-N 2.93Å; S39-K42 PolarHBondContact O-N 3.3Å; M40-K42 VanDerWaalsContact C-N 3.28Å; M40-K42 PolarHBondContact O-N 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.4Å
43R94.8Very high96.6Very high39 Ų3954.7 Ų54.715%0.14732%0.322CS..Hα-helixtrans-73.1-47.4179.6-71.4-163.8179.6-178.415.6112.3E35 S39 M40 A41 A45 Q46 L311E35-R43 IonicContact OE1-CZ 3.71Å; E35-R43 IonicContact OE1-NE 3.07Å; E35-R43 IonicContact OE1-NH1 2.65Å; E35-R43 PolarHBondContact OE1-NH1 2.77Å; E35-R43 IonicContact OE1-NH2 2.8Å; E35-R43 PolarHBondContact OE1-NH2 3.36Å; S39-R43 PolarHBondContact O-N 2.98Å; M40-R43 PolarHBondContact O-N 2.91Å; A41-R43 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.45Å; R43-A45 VanDerWaalsContact C-N 3.31Å; R43-A45 PolarHBondContact O-N 3.41Å; R43-Q46 WeakPolarHBondContact O-CB 3.32Å; R43-Q46 PolarHBondContact O-N 3.01Å; R43-L311 HydrophobicContact CB-CD2 3.8Å
44L97.4Very high96.6Very high0 Ų058.6 Ų58.60%034%0.341CS..Hα-helixtrans-64.2-38.8179.9-66.5171.5000111.3M40 Q46 V47 G48 V49 N51 R56 L311 W314M40-L44 HydrophobicContact CE-CD1 4.34Å; M40-L44 HydrophobicContact CE-CD2 4.21Å; M40-L44 HydrophobicContact CE-CG 4.07Å; M40-L44 WeakPolarHBondContact O-CG 3.48Å; M40-L44 PolarHBondContact O-N 3.16Å; L44-Q46 VanDerWaalsContact C-N 3.25Å; L44-Q46 PolarHBondContact O-N 3.38Å; L44-V47 CarbonylContact O-C 3.54Å; L44-V47 VanDerWaalsContact O-CG2 3.25Å; L44-V47 WeakPolarHBondContact O-CG2 3.18Å; L44-V47 PolarHBondContact O-N 3.26Å; L44-G48 PolarHBondContact O-N 3.47Å; L44-V49 CarbonylContact C-O 3.57Å; L44-V49 HydrophobicContact CB-CB 4.12Å; L44-V49 HydrophobicContact CB-CG1 4.46Å; L44-V49 WeakPolarHBondContact CB-O 3.48Å; L44-V49 HydrophobicContact CD2-CB 4.1Å; L44-V49 HydrophobicContact CD2-CG1 3.92Å; L44-V49 PolarHBondContact O-N 3.28Å; L44-N51 HydrophobicContact CD1-CB 4.17Å; L44-R56 HydrophobicContact CD1-CG 4.14Å; L44-L311 HydrophobicContact CD2-CD1 4.13Å; L44-W314 HydrophobicContact CD2-CH2 4.4Å; L44-W314 HydrophobicContact CD2-CZ3 3.75Å
45A97.2Very high96.6Very high73 Ų7359.6 Ų59.660%0.60335%0.346SS*.Hα-helixtrans-58.4-34.117500000113.3A41 R43 V47 G48A41-A45 VanDerWaalsContact O-CB 3.27Å; A41-A45 WeakPolarHBondContact O-CB 3.24Å; A41-A45 PolarHBondContact O-N 3.1Å; R43-A45 VanDerWaalsContact C-N 3.31Å; R43-A45 PolarHBondContact O-N 3.41Å; A45-V47 PolarHBondContact O-N 3.2Å; A45-G48 PolarHBondContact O-N 3.15Å
46Q94.7Very high96.7Very high153 Ų15360 Ų6072%0.71535%0.347SS*.THydrogen-bonded Turntrans-64.7-20.5177.8-71.3170.9-6.500113.6K42 R43 L44K42-Q46 WeakPolarHBondContact O-CG 3.4Å; R43-Q46 WeakPolarHBondContact O-CB 3.32Å; R43-Q46 PolarHBondContact O-N 3.01Å; L44-Q46 VanDerWaalsContact C-N 3.25Å; L44-Q46 PolarHBondContact O-N 3.38Å
47V96.6Very high96.8Very high28 Ų2859.4 Ų59.417%0.1734%0.339CS..THydrogen-bonded Turntrans-115.613.5178.7-64.50000112.4L44 A45 V49 L311 R312L44-V47 CarbonylContact O-C 3.54Å; L44-V47 VanDerWaalsContact O-CG2 3.25Å; L44-V47 WeakPolarHBondContact O-CG2 3.18Å; L44-V47 PolarHBondContact O-N 3.26Å; A45-V47 PolarHBondContact O-N 3.2Å; V47-V49 VanDerWaalsContact C-N 3.33Å; V47-V49 HydrophobicContact CG2-CB 4.3Å; V47-V49 HydrophobicContact CG2-CG2 3.82Å; V47-V49 PolarHBondContact O-N 3.03Å; V47-L311 HydrophobicContact CG1-CG 4.08Å; V47-L311 HydrophobicContact CG2-CD1 3.89Å; V47-L311 HydrophobicContact CG2-CD2 4.46Å; V47-L311 HydrophobicContact CG2-CG 3.88Å; V47-R312 HydrophobicContact CG1-CG 4.15Å
48G96.7Very high97Very high73 Ų7358.4 Ų58.475%0.75333%0.331SS*.THydrogen-bonded Turntrans71.721.8176.700000114.9L44 A45L44-G48 PolarHBondContact O-N 3.47Å; A45-G48 PolarHBondContact O-N 3.15Å
49V97.6Very high97.2Very high14 Ų1456.3 Ų56.39%0.08531%0.309CS..  trans-100.5135.9-178.5179.90000110.5L44 V47 N55 W314 R315L44-V49 CarbonylContact C-O 3.57Å; L44-V49 HydrophobicContact CB-CB 4.12Å; L44-V49 HydrophobicContact CB-CG1 4.46Å; L44-V49 WeakPolarHBondContact CB-O 3.48Å; L44-V49 HydrophobicContact CD2-CB 4.1Å; L44-V49 HydrophobicContact CD2-CG1 3.92Å; L44-V49 PolarHBondContact O-N 3.28Å; V47-V49 VanDerWaalsContact C-N 3.33Å; V47-V49 HydrophobicContact CG2-CB 4.3Å; V47-V49 HydrophobicContact CG2-CG2 3.82Å; V47-V49 PolarHBondContact O-N 3.03Å; V49-N55 HydrophobicContact CG1-CB 4.06Å; V49-W314 HydrophobicContact CG1-CH2 4.26Å; V49-W314 HydrophobicContact CG1-CZ3 4.4Å; V49-R315 WeakPolarHBondContact CG2-O 3.48Å
50E97.6Very high97.4Very high144 Ų14453.7 Ų53.767%0.67329%0.29SS*.  trans-68.5141.7176.2-170.1-177179.700111.7T52 N55E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 HydrophobicContact CB-CG2 4.33Å; E50-T52 HydrophobicContact CG-CG2 3.87Å; E50-T52 PolarHBondContact O-N 3.34Å; E50-N55 WeakPolarHBondContact O-CB 3.46Å; E50-N55 PolarHBondContact O-ND2 3.21Å
51N98.3Very high97.5Very high50 Ų5054.4 Ų54.427%0.26729%0.294SS..  trans-84.767.7178.9-174.133.5000113.3V37 A41 L44 R56V37-N51 PolarHBondContact O-ND2 2.9Å; V37-N51 VanDerWaalsContact O-ND2 3.1Å; A41-N51 HydrophobicContact CB-CB 4.16Å; A41-N51 VanDerWaalsContact CB-ND2 3.32Å; A41-N51 WeakPolarHBondContact CB-ND2 3.37Å; L44-N51 HydrophobicContact CD1-CB 4.17Å; N51-R56 PolarHBondContact O-NH1 3.24Å; N51-R56 WeakPolarHBondContact OD1-CD 3.4Å; N51-R56 PolarHBondContact OD1-NH1 3.37Å
52T98.4Very high97.6Very high42 Ų4253 Ų5326%0.25828%0.282SS..  trans-91.1159.4171.167.90000111E50 E54 N55 R56E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 HydrophobicContact CB-CG2 4.33Å; E50-T52 HydrophobicContact CG-CG2 3.87Å; E50-T52 PolarHBondContact O-N 3.34Å; T52-E54 VanDerWaalsContact C-N 3.26Å; T52-E54 PolarHBondContact O-N 3.23Å; T52-N55 PolarHBondContact O-N 3.21Å; T52-N55 WeakPolarHBondContact OG1-CB 3.46Å; T52-N55 VanDerWaalsContact OG1-CG 3.27Å; T52-N55 PolarHBondContact OG1-N 3.13Å; T52-N55 VanDerWaalsContact OG1-N 3.09Å; T52-N55 PolarHBondContact OG1-ND2 2.94Å; T52-R56 WeakPolarHBondContact O-CG 3.29Å; T52-R56 PolarHBondContact O-N 3.01Å; T52-R56 VanDerWaalsContact O-N 3.12Å; T52-R56 PolarHBondContact O-NH1 3.43Å
53E98.2Very high97.7Very high121 Ų12145.5 Ų45.557%0.56525%0.249SC*.Hα-helixtrans-57.2-42.3172.7-174.7-178.1166.200111.6N55 R56 R57E53-N55 PolarHBondContact O-N 3.27Å; E53-R56 PolarHBondContact O-N 3.13Å; E53-R57 WeakPolarHBondContact O-CB 3.5Å; E53-R57 PolarHBondContact O-N 3.29Å
54E98.3Very high97.9Very high82 Ų8243.7 Ų43.738%0.38324%0.242SC..Hα-helixtrans-63.1-43.5178.9177.754.9-161.300112.3T52 R56 R57 Q58T52-E54 VanDerWaalsContact C-N 3.26Å; T52-E54 PolarHBondContact O-N 3.23Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 3.33Å; E54-R57 WeakPolarHBondContact O-CB 3.42Å; E54-R57 PolarHBondContact O-N 3.39Å; E54-R57 IonicContact OE1-CZ 3.65Å; E54-R57 IonicContact OE1-NE 3.51Å; E54-R57 PolarHBondContact OE1-NE 3.37Å; E54-R57 IonicContact OE1-NH2 3.48Å; E54-R57 PolarHBondContact OE1-NH2 2.87Å; E54-R57 IonicContact OE2-CZ 2.7Å; E54-R57 IonicContact OE2-NE 3.67Å; E54-R57 PolarHBondContact OE2-NE 3.22Å; E54-R57 IonicContact OE2-NH2 3.16Å; E54-Q58 HydrophobicContact CG-CG 4.42Å; E54-Q58 WeakPolarHBondContact O-CB 3.48Å; E54-Q58 WeakPolarHBondContact O-CG 3.49Å; E54-Q58 PolarHBondContact O-N 3.25Å; E54-Q58 VanDerWaalsContact OE1-CG 3.24Å; E54-Q58 WeakPolarHBondContact OE1-CG 3.39Å; E54-Q58 PolarHBondContact OE1-NE2 3.48Å
55N98.4Very high97.9Very high31 Ų3146.3 Ų46.317%0.16626%0.261CS..Hα-helixtrans-65.7-35.2177.3-73-15.6000111.9V49 E50 T52 E53 F59 W314V49-N55 HydrophobicContact CG1-CB 4.06Å; E50-N55 WeakPolarHBondContact O-CB 3.46Å; E50-N55 PolarHBondContact O-ND2 3.21Å; T52-N55 PolarHBondContact O-N 3.21Å; T52-N55 WeakPolarHBondContact OG1-CB 3.46Å; T52-N55 VanDerWaalsContact OG1-CG 3.27Å; T52-N55 PolarHBondContact OG1-N 3.13Å; T52-N55 VanDerWaalsContact OG1-N 3.09Å; T52-N55 PolarHBondContact OG1-ND2 2.94Å; E53-N55 PolarHBondContact O-N 3.27Å; N55-F59 WeakPolarHBondContact O-CB 3.28Å; N55-F59 PolarHBondContact O-N 3.41Å; N55-F59 VanDerWaalsContact O-N 3.08Å; N55-W314 HydrophobicContact CB-CH2 4.27Å; N55-W314 VanDerWaalsContact O-CH2 3.3Å; N55-W314 WeakPolarHBondContact O-CH2 3.49Å
56R98.6Very high97.9Very high22 Ų2242.9 Ų42.98%0.08323%0.232CC..Hα-helixtrans-65-46172.5-68.5-169.2-60.6-82.62.9111M40 L44 N51 T52 E53 E54 F59 R60 E82M40-R56 HydrophobicContact CB-CG 4.15Å; M40-R56 HydrophobicContact CG-CG 4.39Å; L44-R56 HydrophobicContact CD1-CG 4.14Å; N51-R56 PolarHBondContact O-NH1 3.24Å; N51-R56 WeakPolarHBondContact OD1-CD 3.4Å; N51-R56 PolarHBondContact OD1-NH1 3.37Å; T52-R56 WeakPolarHBondContact O-CG 3.29Å; T52-R56 PolarHBondContact O-N 3.01Å; T52-R56 VanDerWaalsContact O-N 3.12Å; T52-R56 PolarHBondContact O-NH1 3.43Å; E53-R56 PolarHBondContact O-N 3.13Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 3.33Å; R56-F59 PolarHBondContact O-N 2.88Å; R56-R60 VanDerWaalsContact O-CG 3.3Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.34Å; R56-E82 IonicContact CZ-OE1 2.89Å; R56-E82 IonicContact CZ-OE2 3.56Å; R56-E82 IonicContact NE-OE1 3.71Å; R56-E82 PolarHBondContact NE-OE1 3.03Å; R56-E82 IonicContact NE-OE2 3.65Å; R56-E82 PolarHBondContact NE-OE2 2.76Å; R56-E82 IonicContact NH2-OE1 3.35Å; R56-E82 IonicContact NH2-OE2 2.64Å; R56-E82 PolarHBondContact NH2-OE2 3.25Å
57R98.6Very high98Very high25 Ų2538.9 Ų38.99%0.09422%0.216CC..Hα-helixtrans-59.3-49.3177.2-169.8-154.868.273.24.8111.7E53 E54 F59 R60 Q61 Q86 H87 D89 F94E53-R57 WeakPolarHBondContact O-CB 3.5Å; E53-R57 PolarHBondContact O-N 3.29Å; E54-R57 WeakPolarHBondContact O-CB 3.42Å; E54-R57 PolarHBondContact O-N 3.39Å; E54-R57 IonicContact OE1-CZ 3.65Å; E54-R57 IonicContact OE1-NE 3.51Å; E54-R57 PolarHBondContact OE1-NE 3.37Å; E54-R57 IonicContact OE1-NH2 3.48Å; E54-R57 PolarHBondContact OE1-NH2 2.87Å; E54-R57 IonicContact OE2-CZ 2.7Å; E54-R57 IonicContact OE2-NE 3.67Å; E54-R57 PolarHBondContact OE2-NE 3.22Å; E54-R57 IonicContact OE2-NH2 3.16Å; R57-F59 PolarHBondContact O-N 2.87Å; R57-R60 WeakPolarHBondContact O-CB 3.34Å; R57-R60 PolarHBondContact O-N 2.76Å; R57-Q61 PolarHBondContact O-N 3.41Å; R57-Q86 HydrophobicContact CG-CB 4.17Å; R57-Q86 HydrophobicContact CG-CG 4.11Å; R57-H87 WeakPolarHBondContact CD-O 3.37Å; R57-H87 PolarHBondContact NH1-O 2.78Å; R57-D89 IonicContact CZ-OD1 2.68Å; R57-D89 IonicContact NH1-OD1 2.62Å; R57-D89 PolarHBondContact NH1-OD1 3.34Å; R57-D89 IonicContact NH2-OD1 2.93Å; R57-D89 PolarHBondContact NH2-OD1 2.95Å; R57-F94 HydrophobicContact CG-CE2 3.97Å; R57-F94 HydrophobicContact CG-CZ 3.87Å; R57-F94 WeakPolarHBondContact O-CZ 3.46Å
58Q98.4Very high98Very high35 Ų3543 Ų4316%0.16424%0.237CC..Hα-helixtrans-57.8-48.9177.3-75.4179.17.200111.4E54 R60 Q61 I62 W314E54-Q58 HydrophobicContact CG-CG 4.42Å; E54-Q58 WeakPolarHBondContact O-CB 3.48Å; E54-Q58 WeakPolarHBondContact O-CG 3.49Å; E54-Q58 PolarHBondContact O-N 3.25Å; E54-Q58 VanDerWaalsContact OE1-CG 3.24Å; E54-Q58 WeakPolarHBondContact OE1-CG 3.39Å; E54-Q58 PolarHBondContact OE1-NE2 3.48Å; Q58-R60 VanDerWaalsContact C-N 3.26Å; Q58-R60 PolarHBondContact O-N 3.29Å; Q58-Q61 WeakPolarHBondContact O-CB 3.45Å; Q58-Q61 PolarHBondContact O-N 3.21Å; Q58-Q61 VanDerWaalsContact O-N 3.09Å; Q58-I62 WeakPolarHBondContact O-CG1 3.26Å; Q58-I62 PolarHBondContact O-N 3.31Å; Q58-W314 HydrophobicContact CB-CH2 4.44Å; Q58-W314 HydrophobicContact CB-CZ2 3.9Å
59F98.6Very high98Very high0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-61.4-36.7179-172.3-120000112.5M40 N55 R56 R57 I62 L63 Q307 L311 W314M40-F59 HydrophobicContact CE-CD1 3.71Å; M40-F59 HydrophobicContact CE-CE1 4.31Å; N55-F59 WeakPolarHBondContact O-CB 3.28Å; N55-F59 PolarHBondContact O-N 3.41Å; N55-F59 VanDerWaalsContact O-N 3.08Å; R56-F59 PolarHBondContact O-N 2.88Å; R57-F59 PolarHBondContact O-N 2.87Å; F59-I62 HydrophobicContact CD2-CD1 4.48Å; F59-I62 PolarHBondContact O-N 2.96Å; F59-L63 HydrophobicContact CE1-CD1 4.18Å; F59-L63 HydrophobicContact CZ-CD1 4.39Å; F59-L63 HydrophobicContact CZ-CD2 4.42Å; F59-L63 WeakPolarHBondContact O-CG 3.37Å; F59-L63 PolarHBondContact O-N 3.13Å; F59-Q307 HydrophobicContact CZ-CB 4.24Å; F59-L311 HydrophobicContact CD1-CD1 4.39Å; F59-L311 HydrophobicContact CD2-CD1 3.89Å; F59-L311 HydrophobicContact CE1-CD1 4.2Å; F59-L311 HydrophobicContact CE2-CB 3.83Å; F59-L311 HydrophobicContact CE2-CD1 3.69Å; F59-L311 HydrophobicContact CE2-CG 4.36Å; F59-L311 HydrophobicContact CG-CD1 4.25Å; F59-L311 HydrophobicContact CZ-CB 3.7Å; F59-L311 HydrophobicContact CZ-CD1 3.86Å; F59-L311 HydrophobicContact CZ-CG 4.27Å; F59-W314 HydrophobicContact CB-CE3 4.08Å; F59-W314 HydrophobicContact CB-CH2 3.91Å; F59-W314 HydrophobicContact CB-CZ3 3.57Å; F59-W314 HydrophobicContact CD2-CD2 4.19Å; F59-W314 AromaticContact CD2-CE3 3.47Å; F59-W314 HydrophobicContact CD2-CE3 3.47Å; F59-W314 VanDerWaalsContact CD2-CE3 3.47Å; F59-W314 AromaticContact CD2-CZ3 3.85Å; F59-W314 HydrophobicContact CD2-CZ3 3.85Å; F59-W314 HydrophobicContact CE2-CE3 4.31Å; F59-W314 HydrophobicContact CG-CE3 4.06Å; F59-W314 AromaticContact CG-CZ3 3.94Å; F59-W314 HydrophobicContact CG-CZ3 3.94Å
60R98.7Very high98Very high3 Ų343 Ų431%0.01121%0.213CC..Hα-helixtrans-65.8-44.7172.8-68.3-62.8-173.6-90.7-1.7112A33 E35 M40 R56 R57 Q58 I62 L63 F64 T83 F94A33-R60 VanDerWaalsContact O-CZ 3.26Å; A33-R60 PolarHBondContact O-NE 2.65Å; A33-R60 PolarHBondContact O-NH2 3.09Å; E35-R60 IonicContact OE2-CZ 2.77Å; E35-R60 VanDerWaalsContact OE2-CZ 3.32Å; E35-R60 IonicContact OE2-NH1 2.64Å; E35-R60 IonicContact OE2-NH2 3.39Å; E35-R60 PolarHBondContact OE2-NH2 2.84Å; M40-R60 PolarHBondContact SD-NH1 2.66Å; M40-R60 VanDerWaalsContact SD-NH1 3.38Å; R56-R60 VanDerWaalsContact O-CG 3.3Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.34Å; R57-R60 WeakPolarHBondContact O-CB 3.34Å; R57-R60 PolarHBondContact O-N 2.76Å; Q58-R60 VanDerWaalsContact C-N 3.26Å; Q58-R60 PolarHBondContact O-N 3.29Å; R60-I62 VanDerWaalsContact C-N 3.28Å; R60-I62 PolarHBondContact O-N 3.06Å; R60-L63 PolarHBondContact O-N 3.36Å; R60-F64 HydrophobicContact CB-CD2 4.32Å; R60-F64 HydrophobicContact CB-CE2 3.76Å; R60-F64 HydrophobicContact CB-CZ 4.12Å; R60-F64 VanDerWaalsContact O-CD2 3.25Å; R60-F64 WeakPolarHBondContact O-CD2 3.46Å; R60-F64 WeakPolarHBondContact O-CG 3.21Å; R60-F64 PolarHBondContact O-N 2.96Å; R60-T83 HydrophobicContact CB-CG2 4.06Å; R60-T83 HydrophobicContact CG-CG2 3.74Å; R60-F94 HydrophobicContact CB-CD2 4.48Å; R60-F94 HydrophobicContact CB-CE2 3.87Å; R60-F94 HydrophobicContact CB-CZ 4.25Å
61Q98.6Very high98Very high17 Ų1737.9 Ų37.98%0.07919%0.19CC..Hα-helixtrans-57.3-41.9175.4-178.2175-51.200111.6R57 Q58 L63 F64 S65 D89 F94R57-Q61 PolarHBondContact O-N 3.41Å; Q58-Q61 WeakPolarHBondContact O-CB 3.45Å; Q58-Q61 PolarHBondContact O-N 3.21Å; Q58-Q61 VanDerWaalsContact O-N 3.09Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.37Å; Q61-F64 CarbonylContact O-C 3.58Å; Q61-F64 PolarHBondContact O-N 3.31Å; Q61-F64 VanDerWaalsContact O-N 3.13Å; Q61-S65 WeakPolarHBondContact O-CB 3.46Å; Q61-S65 PolarHBondContact O-N 3.47Å; Q61-S65 PolarHBondContact O-OG 3.15Å; Q61-D89 PolarHBondContact NE2-OD2 2.89Å; Q61-D89 PolarHBondContact OE1-OD1 3.25Å; Q61-F94 HydrophobicContact CB-CE1 3.81Å; Q61-F94 HydrophobicContact CB-CZ 3.86Å; Q61-F94 HydrophobicContact CG-CE1 4.31Å
62I98.4Very high98Very high3 Ų338.9 Ų38.92%0.01520%0.202CC..Hα-helixtrans-54.9-48.3177.3-71.2169.3000111.1Q58 F59 R60 S65 W314 E321 A324 T325Q58-I62 WeakPolarHBondContact O-CG1 3.26Å; Q58-I62 PolarHBondContact O-N 3.31Å; F59-I62 HydrophobicContact CD2-CD1 4.48Å; F59-I62 PolarHBondContact O-N 2.96Å; R60-I62 VanDerWaalsContact C-N 3.28Å; R60-I62 PolarHBondContact O-N 3.06Å; I62-S65 PolarHBondContact O-N 3.25Å; I62-W314 HydrophobicContact CD1-CB 4.13Å; I62-W314 HydrophobicContact CD1-CD2 3.63Å; I62-W314 HydrophobicContact CD1-CE3 4.47Å; I62-W314 HydrophobicContact CD1-CG 3.43Å; I62-W314 VanDerWaalsContact CD1-CG 3.43Å; I62-W314 HydrophobicContact CD1-CZ2 4.45Å; I62-E321 HydrophobicContact CD1-CB 4.45Å; I62-E321 HydrophobicContact CD1-CG 3.84Å; I62-E321 HydrophobicContact CG1-CB 4.14Å; I62-E321 HydrophobicContact CG1-CG 3.78Å; I62-A324 HydrophobicContact CG2-CB 3.72Å; I62-T325 WeakPolarHBondContact CG2-OG1 3.48Å; I62-T325 PolarHBondContact O-OG1 3.25Å
63L98.6Very high98Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-64.4-41.4178-59.6176.4000111.4L31 F59 R60 Q61 S65 Q307 A310 F328L31-L63 HydrophobicContact CD2-CB 4.31Å; L31-L63 HydrophobicContact CD2-CD1 4.43Å; F59-L63 HydrophobicContact CE1-CD1 4.18Å; F59-L63 HydrophobicContact CZ-CD1 4.39Å; F59-L63 HydrophobicContact CZ-CD2 4.42Å; F59-L63 WeakPolarHBondContact O-CG 3.37Å; F59-L63 PolarHBondContact O-N 3.13Å; R60-L63 PolarHBondContact O-N 3.36Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.37Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 3.47Å; L63-Q307 HydrophobicContact CD1-CG 3.91Å; L63-Q307 HydrophobicContact CD2-CG 4.26Å; L63-A310 HydrophobicContact CD2-CB 4.28Å; L63-F328 HydrophobicContact CD2-CB 3.87Å; L63-F328 HydrophobicContact CD2-CD1 4.29Å; L63-F328 HydrophobicContact CD2-CD2 4.13Å; L63-F328 HydrophobicContact CD2-CG 3.82Å; L63-F328 VanDerWaalsContact O-CE1 3.25Å; L63-F328 WeakPolarHBondContact O-CE1 3.27Å
64F98.3Very high98Very high1 Ų131.3 Ų31.30%0.00416%0.164CC..Hα-helixtrans-82.1-10.3-175.6-51.8-22.2000113.7L31 A33 R60 Q61 V77 F79 T83 F94 M97 I98 R101L31-F64 HydrophobicContact CD2-CE1 4.17Å; A33-F64 HydrophobicContact CB-CE1 4.36Å; A33-F64 HydrophobicContact CB-CZ 4.36Å; R60-F64 HydrophobicContact CB-CD2 4.32Å; R60-F64 HydrophobicContact CB-CE2 3.76Å; R60-F64 HydrophobicContact CB-CZ 4.12Å; R60-F64 VanDerWaalsContact O-CD2 3.25Å; R60-F64 WeakPolarHBondContact O-CD2 3.46Å; R60-F64 WeakPolarHBondContact O-CG 3.21Å; R60-F64 PolarHBondContact O-N 2.96Å; Q61-F64 CarbonylContact O-C 3.58Å; Q61-F64 PolarHBondContact O-N 3.31Å; Q61-F64 VanDerWaalsContact O-N 3.13Å; F64-V77 HydrophobicContact CE1-CG1 3.88Å; F64-V77 HydrophobicContact CZ-CG1 4.37Å; F64-F79 HydrophobicContact CD2-CZ 4.31Å; F64-F79 AromaticContact CE1-CE1 3.77Å; F64-F79 HydrophobicContact CE1-CE1 3.77Å; F64-F79 HydrophobicContact CE1-CZ 4.39Å; F64-F79 AromaticContact CE2-CE1 3.65Å; F64-F79 HydrophobicContact CE2-CE1 3.65Å; F64-F79 HydrophobicContact CE2-CE2 4.48Å; F64-F79 AromaticContact CE2-CZ 3.62Å; F64-F79 HydrophobicContact CE2-CZ 3.62Å; F64-F79 AromaticContact CZ-CD1 3.91Å; F64-F79 HydrophobicContact CZ-CD1 3.91Å; F64-F79 AromaticContact CZ-CE1 3.18Å; F64-F79 HydrophobicContact CZ-CE1 3.18Å; F64-F79 AromaticContact CZ-CZ 3.68Å; F64-F79 HydrophobicContact CZ-CZ 3.68Å; F64-T83 HydrophobicContact CE2-CG2 3.76Å; F64-T83 HydrophobicContact CZ-CG2 4.05Å; F64-F94 HydrophobicContact CD2-CB 3.93Å; F64-F94 AromaticContact CD2-CD1 3.75Å; F64-F94 HydrophobicContact CD2-CD1 3.75Å; F64-F94 HydrophobicContact CD2-CD2 4.14Å; F64-F94 HydrophobicContact CD2-CE1 4.24Å; F64-F94 AromaticContact CD2-CG 3.7Å; F64-F94 HydrophobicContact CD2-CG 3.7Å; F64-F94 HydrophobicContact CE2-CB 3.98Å; F64-F94 HydrophobicContact CE2-CD1 4.36Å; F64-F94 AromaticContact CE2-CD2 3.93Å; F64-F94 HydrophobicContact CE2-CD2 3.93Å; F64-F94 HydrophobicContact CE2-CE2 4.46Å; F64-F94 AromaticContact CE2-CG 3.86Å; F64-F94 HydrophobicContact CE2-CG 3.86Å; F64-M97 HydrophobicContact CB-CE 3.97Å; F64-M97 WeakPolarHBondContact O-CE 3.21Å; F64-I98 HydrophobicContact CB-CD1 4.06Å; F64-I98 HydrophobicContact CD1-CD1 3.76Å; F64-I98 HydrophobicContact CE1-CD1 4.43Å; F64-I98 HydrophobicContact CG-CD1 3.89Å; F64-I98 HydrophobicContact CG-CG1 4.48Å; F64-R101 PolarHBondContact O-NH2 3.03Å
65S96.6Very high98Very high56 Ų5627.6 Ų27.639%0.39215%0.147SC..THydrogen-bonded Turntrans-92.65.1175.8-55.20000113.1Q61 I62 L63Q61-S65 WeakPolarHBondContact O-CB 3.46Å; Q61-S65 PolarHBondContact O-N 3.47Å; Q61-S65 PolarHBondContact O-OG 3.15Å; I62-S65 PolarHBondContact O-N 3.25Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 3.47Å
66A97.4Very high98.1Very high0 Ų026.1 Ų26.10%014%0.139CC..  trans-48.8151.4167.800000111.9I70 R101 T325 F328 V329A66-I70 HydrophobicContact CB-CD1 3.94Å; A66-I70 HydrophobicContact CB-CG1 4.07Å; A66-I70 HydrophobicContact CB-CG2 3.7Å; A66-R101 PolarHBondContact O-NH1 2.88Å; A66-R101 PolarHBondContact O-NH2 3.4Å; A66-T325 HydrophobicContact CB-CG2 3.92Å; A66-F328 HydrophobicContact CB-CD1 3.87Å; A66-F328 HydrophobicContact CB-CE1 3.73Å; A66-V329 HydrophobicContact CB-CG2 3.76Å
67D96.4Very high98.1Very high70 Ų7025.2 Ų25.237%0.37414%0.136SC..  trans-80-174.7175.858.952000111.9R69 I70 R101D67-R69 PolarHBondContact O-N 3.47Å; D67-R69 WeakPolarHBondContact OD1-CB 3.43Å; D67-R69 WeakPolarHBondContact OD1-CG 3.38Å; D67-R69 IonicContact OD1-CZ 2.8Å; D67-R69 PolarHBondContact OD1-N 2.94Å; D67-R69 VanDerWaalsContact OD1-N 3.09Å; D67-R69 IonicContact OD1-NE 2.68Å; D67-R69 PolarHBondContact OD1-NE 3.5Å; D67-R69 IonicContact OD1-NH2 2.88Å; D67-R69 IonicContact OD2-CZ 2.61Å; D67-R69 IonicContact OD2-NE 3.54Å; D67-R69 PolarHBondContact OD2-NE 2.91Å; D67-R69 VanDerWaalsContact OD2-NE 3.16Å; D67-R69 IonicContact OD2-NH2 2.84Å; D67-R69 PolarHBondContact OD2-NH2 3.11Å; D67-I70 WeakPolarHBondContact O-CG1 3.37Å; D67-I70 PolarHBondContact O-N 3.22Å; D67-R101 PolarHBondContact O-NH1 3.46Å
68D97.2Very high98.1Very high115 Ų11524 Ų2462%0.61513%0.131SC*.G310 helixtrans-65.5-10.5-172.7-69.4-35000114.7I70 N71D68-I70 PolarHBondContact O-N 2.94Å; D68-I70 VanDerWaalsContact O-N 3.13Å; D68-N71 WeakPolarHBondContact CA-ND2 3.39Å; D68-N71 WeakPolarHBondContact CB-ND2 3.47Å; D68-N71 VanDerWaalsContact O-CB 3.27Å; D68-N71 WeakPolarHBondContact O-CB 3.36Å; D68-N71 VanDerWaalsContact O-CG 3.3Å; D68-N71 PolarHBondContact O-N 3.43Å; D68-N71 PolarHBondContact OD1-ND2 2.71Å
69R97.6Very high98.1Very high81 Ų8122.3 Ų22.331%0.30612%0.123SC..G310 helixtrans-55.4-30.3173.9-70.7178.5-74.1165-1.6112.1D67 N71 S72 C73 E326 V329 E333D67-R69 PolarHBondContact O-N 3.47Å; D67-R69 WeakPolarHBondContact OD1-CB 3.43Å; D67-R69 WeakPolarHBondContact OD1-CG 3.38Å; D67-R69 IonicContact OD1-CZ 2.8Å; D67-R69 PolarHBondContact OD1-N 2.94Å; D67-R69 VanDerWaalsContact OD1-N 3.09Å; D67-R69 IonicContact OD1-NE 2.68Å; D67-R69 PolarHBondContact OD1-NE 3.5Å; D67-R69 IonicContact OD1-NH2 2.88Å; D67-R69 IonicContact OD2-CZ 2.61Å; D67-R69 IonicContact OD2-NE 3.54Å; D67-R69 PolarHBondContact OD2-NE 2.91Å; D67-R69 VanDerWaalsContact OD2-NE 3.16Å; D67-R69 IonicContact OD2-NH2 2.84Å; D67-R69 PolarHBondContact OD2-NH2 3.11Å; R69-N71 VanDerWaalsContact C-N 3.29Å; R69-N71 PolarHBondContact O-N 3.37Å; R69-S72 PolarHBondContact O-OG 2.75Å; R69-C73 PolarHBondContact O-SG 2.85Å; R69-E326 IonicContact CZ-OE1 3.62Å; R69-E326 IonicContact CZ-OE2 2.69Å; R69-E326 IonicContact NH1-OE1 3.34Å; R69-E326 PolarHBondContact NH1-OE1 3.44Å; R69-E326 IonicContact NH1-OE2 3.76Å; R69-E326 PolarHBondContact NH1-OE2 3.43Å; R69-E326 IonicContact NH2-OE1 3.74Å; R69-E326 IonicContact NH2-OE2 3.72Å; R69-E326 PolarHBondContact NH2-OE2 2.91Å; R69-V329 HydrophobicContact CB-CG1 3.73Å; R69-V329 HydrophobicContact CG-CG1 4.5Å; R69-E333 WeakPolarHBondContact CD-OE1 3.34Å
70I97.8Very high98.1Very high5 Ų524.4 Ų24.43%0.02613%0.133CC..G310 helixtrans-75.2-16.5178.868.1153.3000113.7A66 D67 D68 S72 C73 I74 I103 F328 V329 A332A66-I70 HydrophobicContact CB-CD1 3.94Å; A66-I70 HydrophobicContact CB-CG1 4.07Å; A66-I70 HydrophobicContact CB-CG2 3.7Å; D67-I70 WeakPolarHBondContact O-CG1 3.37Å; D67-I70 PolarHBondContact O-N 3.22Å; D68-I70 PolarHBondContact O-N 2.94Å; D68-I70 VanDerWaalsContact O-N 3.13Å; I70-S72 VanDerWaalsContact C-N 3.26Å; I70-S72 PolarHBondContact O-N 3.05Å; I70-C73 PolarHBondContact O-N 3.37Å; I70-I74 HydrophobicContact CB-CG1 4.2Å; I70-I74 PolarHBondContact O-N 3.44Å; I70-I103 HydrophobicContact CD1-CD1 3.88Å; I70-I103 HydrophobicContact CG1-CD1 4.38Å; I70-F328 HydrophobicContact CD1-CE1 4.25Å; I70-F328 HydrophobicContact CG2-CE1 3.83Å; I70-F328 HydrophobicContact CG2-CZ 4.24Å; I70-V329 HydrophobicContact CG2-CB 4.49Å; I70-V329 HydrophobicContact CG2-CG1 4.46Å; I70-V329 HydrophobicContact CG2-CG2 3.93Å; I70-A332 HydrophobicContact CG2-CB 4.27Å
71N97.6Very high98.1Very high36 Ų3628.4 Ų28.419%0.19315%0.151CC..G310 helixtrans-67.1-29.5-172.3-60.2-12000111.7K28 D68 R69K28-N71 VanDerWaalsContact CE-O 3.28Å; K28-N71 WeakPolarHBondContact CE-O 3.32Å; K28-N71 PolarHBondContact NZ-O 3.06Å; D68-N71 WeakPolarHBondContact CA-ND2 3.39Å; D68-N71 WeakPolarHBondContact CB-ND2 3.47Å; D68-N71 VanDerWaalsContact O-CB 3.27Å; D68-N71 WeakPolarHBondContact O-CB 3.36Å; D68-N71 VanDerWaalsContact O-CG 3.3Å; D68-N71 PolarHBondContact O-N 3.43Å; D68-N71 PolarHBondContact OD1-ND2 2.71Å; R69-N71 VanDerWaalsContact C-N 3.29Å; R69-N71 PolarHBondContact O-N 3.37Å
72S96.8Very high98.1Very high72 Ų7229.4 Ų29.450%0.50316%0.156SC..G310 helixtrans-85.1-12.8172.557.50000113.5K28 R69 I70K28-S72 WeakPolarHBondContact CG-O 3.05Å; R69-S72 PolarHBondContact O-OG 2.75Å; I70-S72 VanDerWaalsContact C-N 3.26Å; I70-S72 PolarHBondContact O-N 3.05Å
73C98.6Very high98.1Very high3 Ų329.5 Ų29.52%0.0216%0.156CC..THydrogen-bonded Turntrans-102.2-31.5-174.7-570000113.1K28 G29 R69 I70 F300 A332K28-C73 CarbonylContact C-O 3.48Å; K28-C73 VanDerWaalsContact CA-O 3.28Å; K28-C73 WeakPolarHBondContact CA-O 3.37Å; G29-C73 PolarHBondContact N-O 3.01Å; R69-C73 PolarHBondContact O-SG 2.85Å; I70-C73 PolarHBondContact O-N 3.37Å; C73-F300 WeakPolarHBondContact O-CZ 3.46Å; C73-A332 HydrophobicContact CB-CB 3.92Å
74I98.8Very high98.1Very high1 Ų129.8 Ų29.81%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-116.6118.7-172.1-53.4-60.3000109.6G29 L31 I70 G76 V77 I103 F300 L306 F328 A332G29-I74 CarbonylContact O-C 3.17Å; L31-I74 HydrophobicContact CB-CD1 4.44Å; L31-I74 HydrophobicContact CB-CG2 4.38Å; I70-I74 HydrophobicContact CB-CG1 4.2Å; I70-I74 PolarHBondContact O-N 3.44Å; I74-G76 VanDerWaalsContact CG2-O 3.23Å; I74-G76 WeakPolarHBondContact CG2-O 3.26Å; I74-V77 HydrophobicContact CG2-CG2 3.97Å; I74-I103 HydrophobicContact CB-CD1 4.2Å; I74-I103 HydrophobicContact CG2-CD1 4.39Å; I74-I103 HydrophobicContact CG2-CG2 3.84Å; I74-F300 HydrophobicContact CD1-CE2 3.95Å; I74-F300 HydrophobicContact CD1-CZ 4.3Å; I74-L306 HydrophobicContact CD1-CD1 4.45Å; I74-F328 HydrophobicContact CG1-CZ 4.47Å; I74-A332 HydrophobicContact CD1-CB 4.25Å
75G98.7Very high98.1Very high3 Ų334.3 Ų34.33%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-93.4-26.8174.800000112.6I23 G29 L104I23-G75 WeakPolarHBondContact O-CA 2.94Å; G29-G75 PolarHBondContact O-N 2.83Å; G75-L104 WeakPolarHBondContact O-CB 3.24Å; G75-L104 PolarHBondContact O-N 3.28Å
76G98.9Very high98.2Very high0 Ų032.1 Ų32.10%016%0.159CC..EExtended strand (participates in β ladder)trans-151.7157.5174.100000114.4G29 I30 L31 I74 L104G29-G76 PolarHBondContact O-N 2.82Å; I30-G76 VanDerWaalsContact CA-O 3.26Å; I30-G76 WeakPolarHBondContact CA-O 3.09Å; L31-G76 PolarHBondContact N-O 3Å; I74-G76 VanDerWaalsContact CG2-O 3.23Å; I74-G76 WeakPolarHBondContact CG2-O 3.26Å; G76-L104 CarbonylContact C-O 3.44Å; G76-L104 WeakPolarHBondContact CA-O 3.36Å
77V98.9Very high98.3Very high3 Ų336.4 Ų36.42%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-124.1127.7171.3-167.30000109.8L31 A33 F64 I74 F79 I98 I103 L104 G106L31-V77 HydrophobicContact CB-CG1 4.05Å; L31-V77 HydrophobicContact CB-CG2 4.28Å; L31-V77 HydrophobicContact CD2-CG1 3.86Å; L31-V77 HydrophobicContact CD2-CG2 4.47Å; L31-V77 HydrophobicContact CG-CG1 3.94Å; L31-V77 CarbonylContact O-C 3.07Å; L31-V77 WeakPolarHBondContact O-CA 3.14Å; L31-V77 WeakPolarHBondContact O-CG1 3.02Å; A33-V77 HydrophobicContact CB-CG1 4.17Å; F64-V77 HydrophobicContact CE1-CG1 3.88Å; F64-V77 HydrophobicContact CZ-CG1 4.37Å; I74-V77 HydrophobicContact CG2-CG2 3.97Å; V77-F79 HydrophobicContact CB-CD1 4.28Å; V77-F79 HydrophobicContact CB-CE1 3.88Å; V77-F79 HydrophobicContact CG1-CD1 3.74Å; V77-F79 HydrophobicContact CG1-CE1 3.47Å; V77-F79 VanDerWaalsContact CG1-CE1 3.47Å; V77-I98 HydrophobicContact CB-CG2 4.46Å; V77-I98 HydrophobicContact CG2-CD1 4.04Å; V77-I98 HydrophobicContact CG2-CG1 4.38Å; V77-I98 HydrophobicContact CG2-CG2 4.02Å; V77-I103 HydrophobicContact CG2-CG2 3.87Å; V77-L104 PolarHBondContact N-O 3.37Å; V77-G106 PolarHBondContact O-N 3.48Å
78I98.9Very high98.3Very high0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-90.7123.6175-42.9177.5000108.2I30 L31 A32 A33 D34 K108 F145 K147I30-I78 HydrophobicContact CG2-CD1 3.77Å; I30-I78 HydrophobicContact CG2-CG1 3.51Å; L31-I78 PolarHBondContact O-N 3.13Å; A32-I78 HydrophobicContact CB-CD1 4.29Å; A33-I78 CarbonylContact C-O 3.57Å; A33-I78 VanDerWaalsContact CA-O 3.29Å; A33-I78 WeakPolarHBondContact CA-O 3.32Å; A33-I78 PolarHBondContact N-O 3.35Å; D34-I78 HydrophobicContact CB-CB 3.98Å; D34-I78 HydrophobicContact CB-CG2 3.57Å; D34-I78 PolarHBondContact N-O 2.96Å; I78-K108 HydrophobicContact CG2-CB 4.5Å; I78-F145 HydrophobicContact CD1-CE2 4.37Å; I78-F145 HydrophobicContact CG1-CE2 3.69Å; I78-F145 HydrophobicContact CG1-CZ 4.1Å; I78-K147 HydrophobicContact CD1-CB 4.08Å; I78-K147 HydrophobicContact CD1-CD 3.74Å; I78-K147 HydrophobicContact CD1-CG 3.95Å; I78-K147 HydrophobicContact CG2-CB 3.86Å; I78-K147 HydrophobicContact CG2-CD 4.36Å
79F98.8Very high98.3Very high0 Ų031.8 Ų31.80%016%0.156CC..EExtended strand (participates in β ladder)trans-101153.6176.4-71.92.4000111.6D34 F64 V77 T83 L84 F94 V95 I98 V105 G106 V107 K108D34-F79 WeakPolarHBondContact CB-O 3.34Å; F64-F79 HydrophobicContact CD2-CZ 4.31Å; F64-F79 AromaticContact CE1-CE1 3.77Å; F64-F79 HydrophobicContact CE1-CE1 3.77Å; F64-F79 HydrophobicContact CE1-CZ 4.39Å; F64-F79 AromaticContact CE2-CE1 3.65Å; F64-F79 HydrophobicContact CE2-CE1 3.65Å; F64-F79 HydrophobicContact CE2-CE2 4.48Å; F64-F79 AromaticContact CE2-CZ 3.62Å; F64-F79 HydrophobicContact CE2-CZ 3.62Å; F64-F79 AromaticContact CZ-CD1 3.91Å; F64-F79 HydrophobicContact CZ-CD1 3.91Å; F64-F79 AromaticContact CZ-CE1 3.18Å; F64-F79 HydrophobicContact CZ-CE1 3.18Å; F64-F79 AromaticContact CZ-CZ 3.68Å; F64-F79 HydrophobicContact CZ-CZ 3.68Å; V77-F79 HydrophobicContact CB-CD1 4.28Å; V77-F79 HydrophobicContact CB-CE1 3.88Å; V77-F79 HydrophobicContact CG1-CD1 3.74Å; V77-F79 HydrophobicContact CG1-CE1 3.47Å; V77-F79 VanDerWaalsContact CG1-CE1 3.47Å; F79-T83 HydrophobicContact CD1-CG2 4.29Å; F79-T83 HydrophobicContact CD2-CG2 4.19Å; F79-T83 HydrophobicContact CE2-CG2 4.42Å; F79-T83 HydrophobicContact CG-CG2 4.11Å; F79-L84 HydrophobicContact CD2-CB 4.38Å; F79-L84 HydrophobicContact CD2-CD1 3.91Å; F79-F94 HydrophobicContact CE2-CB 3.95Å; F79-F94 HydrophobicContact CZ-CB 4.11Å; F79-V95 HydrophobicContact CE2-CG2 4.19Å; F79-I98 HydrophobicContact CE1-CG1 4.14Å; F79-I98 HydrophobicContact CZ-CG1 3.66Å; F79-V105 HydrophobicContact CD2-CG1 4.15Å; F79-V105 HydrophobicContact CE2-CG1 4.3Å; F79-G106 PolarHBondContact N-O 2.66Å; F79-V107 WeakPolarHBondContact O-CA 3.37Å; F79-K108 PolarHBondContact O-N 2.81Å
80F98.6Very high98.3Very high44 Ų4435 Ų3519%0.19318%0.179CC..PPolyproline II helixtrans-81.9159.8158.2-172.6-117.2000109.4V37 E82 T83 L84V37-F80 HydrophobicContact CG2-CE1 4.25Å; F80-E82 VanDerWaalsContact C-N 3.28Å; F80-E82 HydrophobicContact CD1-CB 3.82Å; F80-E82 HydrophobicContact CE1-CB 4.22Å; F80-E82 PolarHBondContact O-N 2.82Å; F80-T83 PolarHBondContact O-N 3.15Å; F80-L84 PolarHBondContact O-N 3.26Å; F80-L84 VanDerWaalsContact O-N 3.13Å
81H98.4Very high98.3Very high87 Ų8737.2 Ų37.240%0.40320%0.203SC..Hα-helixtrans-53.2-44.6-178.5177.772000112.7T83 L84 Y85 Y138H81-T83 PolarHBondContact O-N 2.81Å; H81-L84 WeakPolarHBondContact O-CB 3.3Å; H81-L84 PolarHBondContact O-N 3.35Å; H81-Y85 AromaticContact CE1-CD2 3.98Å; H81-Y85 AromaticContact CE1-CE2 3.35Å; H81-Y85 WeakPolarHBondContact CE1-CE2 3.45Å; H81-Y85 AromaticContact ND1-CE2 3.54Å; H81-Y85 VanDerWaalsContact O-CD2 3.26Å; H81-Y85 WeakPolarHBondContact O-CD2 3.42Å; H81-Y138 AromaticContact ND1-CE1 3.53Å; H81-Y138 AromaticContact ND1-CZ 3.75Å; H81-Y138 PolarHBondContact ND1-OH 2.74Å; H81-Y138 VanDerWaalsContact ND1-OH 3.11Å
82E98.4Very high98.3Very high38 Ų3837.7 Ų37.718%0.17821%0.207CC..Hα-helixtrans-55.6-49.8176-173.8-174.887.600111.6R56 F80 L84 Y85 Q86R56-E82 IonicContact CZ-OE1 2.89Å; R56-E82 IonicContact CZ-OE2 3.56Å; R56-E82 IonicContact NE-OE1 3.71Å; R56-E82 PolarHBondContact NE-OE1 3.03Å; R56-E82 IonicContact NE-OE2 3.65Å; R56-E82 PolarHBondContact NE-OE2 2.76Å; R56-E82 IonicContact NH2-OE1 3.35Å; R56-E82 IonicContact NH2-OE2 2.64Å; R56-E82 PolarHBondContact NH2-OE2 3.25Å; F80-E82 VanDerWaalsContact C-N 3.28Å; F80-E82 HydrophobicContact CD1-CB 3.82Å; F80-E82 HydrophobicContact CE1-CB 4.22Å; F80-E82 PolarHBondContact O-N 2.82Å; E82-L84 VanDerWaalsContact C-N 3.27Å; E82-L84 PolarHBondContact O-N 2.81Å; E82-Y85 PolarHBondContact O-N 2.65Å; E82-Q86 HydrophobicContact CG-CG 4.46Å; E82-Q86 WeakPolarHBondContact O-CG 3.3Å; E82-Q86 PolarHBondContact O-N 3.45Å; E82-Q86 PolarHBondContact OE1-NE2 2.59Å
83T98.6Very high98.4Very high4 Ų436.5 Ų36.53%0.02520%0.197CC..Hα-helixtrans-64.6-29.4-178.1-47.90000113.2R60 F64 F79 F80 H81 Y85 Q86 F94R60-T83 HydrophobicContact CB-CG2 4.06Å; R60-T83 HydrophobicContact CG-CG2 3.74Å; F64-T83 HydrophobicContact CE2-CG2 3.76Å; F64-T83 HydrophobicContact CZ-CG2 4.05Å; F79-T83 HydrophobicContact CD1-CG2 4.29Å; F79-T83 HydrophobicContact CD2-CG2 4.19Å; F79-T83 HydrophobicContact CE2-CG2 4.42Å; F79-T83 HydrophobicContact CG-CG2 4.11Å; F80-T83 PolarHBondContact O-N 3.15Å; H81-T83 PolarHBondContact O-N 2.81Å; T83-Y85 PolarHBondContact O-N 2.81Å; T83-Q86 PolarHBondContact O-N 2.8Å; T83-F94 HydrophobicContact CG2-CD2 3.79Å; T83-F94 HydrophobicContact CG2-CE2 4.33Å
84L98.6Very high98.4Very high6 Ų636.4 Ų36.43%0.03120%0.196CC..Hα-helixtrans-62-29.4178-167.672.7000112.9F79 F80 H81 E82 V95 V105 V107 Y138 D141F79-L84 HydrophobicContact CD2-CB 4.38Å; F79-L84 HydrophobicContact CD2-CD1 3.91Å; F80-L84 PolarHBondContact O-N 3.26Å; F80-L84 VanDerWaalsContact O-N 3.13Å; H81-L84 WeakPolarHBondContact O-CB 3.3Å; H81-L84 PolarHBondContact O-N 3.35Å; E82-L84 VanDerWaalsContact C-N 3.27Å; E82-L84 PolarHBondContact O-N 2.81Å; L84-V95 HydrophobicContact CD1-CG2 3.5Å; L84-V95 HydrophobicContact CG-CG2 4.15Å; L84-V95 WeakPolarHBondContact O-CG2 3.46Å; L84-V105 HydrophobicContact CD1-CG1 3.87Å; L84-V107 HydrophobicContact CD2-CG2 4.47Å; L84-Y138 HydrophobicContact CD2-CD1 3.35Å; L84-Y138 HydrophobicContact CD2-CE1 3.81Å; L84-Y138 HydrophobicContact CD2-CG 4.31Å; L84-D141 HydrophobicContact CD2-CB 4.49Å
85Y98.6Very high98.4Very high96 Ų9637.1 Ų37.138%0.37620%0.201SC..THydrogen-bonded Turntrans-109.96.7-178.5-56.5-73.4000113.3H81 E82 T83 H87 Y138 D141H81-Y85 AromaticContact CE1-CD2 3.98Å; H81-Y85 AromaticContact CE1-CE2 3.35Å; H81-Y85 WeakPolarHBondContact CE1-CE2 3.45Å; H81-Y85 AromaticContact ND1-CE2 3.54Å; H81-Y85 VanDerWaalsContact O-CD2 3.26Å; H81-Y85 WeakPolarHBondContact O-CD2 3.42Å; E82-Y85 PolarHBondContact O-N 2.65Å; T83-Y85 PolarHBondContact O-N 2.81Å; Y85-H87 PolarHBondContact O-CE1 2.64Å; Y85-H87 PolarHBondContact O-ND1 3.47Å; Y85-Y138 HydrophobicContact CE2-CE1 4.44Å; Y85-D141 HydrophobicContact CE1-CB 4.29Å; Y85-D141 WeakPolarHBondContact CE1-OD2 3.32Å; Y85-D141 PolarHBondContact OH-OD2 2.76Å
86Q98.7Very high98.4Very high11 Ų1141.8 Ų41.85%0.05122%0.221CC..  trans-82.4158175-83.6174.5-18.800112.3R57 E82 T83 F94R57-Q86 HydrophobicContact CG-CB 4.17Å; R57-Q86 HydrophobicContact CG-CG 4.11Å; E82-Q86 HydrophobicContact CG-CG 4.46Å; E82-Q86 WeakPolarHBondContact O-CG 3.3Å; E82-Q86 PolarHBondContact O-N 3.45Å; E82-Q86 PolarHBondContact OE1-NE2 2.59Å; T83-Q86 PolarHBondContact O-N 2.8Å; Q86-F94 HydrophobicContact CB-CD2 3.49Å; Q86-F94 VanDerWaalsContact CB-CD2 3.49Å; Q86-F94 HydrophobicContact CB-CE2 3.42Å; Q86-F94 VanDerWaalsContact CB-CE2 3.42Å; Q86-F94 HydrophobicContact CB-CZ 4.44Å; Q86-F94 HydrophobicContact CG-CE2 4.47Å; Q86-F94 PolarHBondContact O-N 3.45Å
87H98.8Very high98.4Very high89 Ų8943.1 Ų43.141%0.41223%0.227SC..BIsolated β-bridgetrans-123.3155.9-177.7-6174.1000110.5R57 Y85 G91 V92R57-H87 WeakPolarHBondContact CD-O 3.37Å; R57-H87 PolarHBondContact NH1-O 2.78Å; Y85-H87 PolarHBondContact O-CE1 2.64Å; Y85-H87 PolarHBondContact O-ND1 3.47Å; H87-G91 PolarHBondContact CD2-O 3.04Å; H87-V92 CarbonylContact C-O 3.5Å; H87-V92 WeakPolarHBondContact CA-O 3.39Å
88S98.1Very high98.3Very high15 Ų1543 Ų4311%0.10523%0.226CC..  trans-73.9172.416970.20000112.1N90 G91 V92S88-N90 PolarHBondContact O-N 3Å; S88-N90 VanDerWaalsContact O-N 3.11Å; S88-N90 PolarHBondContact OG-N 2.78Å; S88-G91 PolarHBondContact O-N 3.46Å; S88-V92 PolarHBondContact N-O 3.18Å; S88-V92 WeakPolarHBondContact OG-CB 3.47Å; S88-V92 PolarHBondContact OG-N 3.44Å; S88-V92 PolarHBondContact OG-O 3.13Å
89D97.2Very high98.3Very high74 Ų7449.4 Ų49.440%0.39625%0.251SS..THydrogen-bonded Turntrans-55.2-28173.8-63.1-16.3000112.7R57 Q61 G91R57-D89 IonicContact CZ-OD1 2.68Å; R57-D89 IonicContact NH1-OD1 2.62Å; R57-D89 PolarHBondContact NH1-OD1 3.34Å; R57-D89 IonicContact NH2-OD1 2.93Å; R57-D89 PolarHBondContact NH2-OD1 2.95Å; Q61-D89 PolarHBondContact NE2-OD2 2.89Å; Q61-D89 PolarHBondContact OE1-OD1 3.25Å; D89-G91 VanDerWaalsContact C-N 3.29Å
90N96.4Very high98.2Very high149 Ų14954.6 Ų54.680%0.79728%0.278SS*.THydrogen-bonded Turntrans-90.712178.7-61.6-32.9000112.8S88 V92S88-N90 PolarHBondContact O-N 3Å; S88-N90 VanDerWaalsContact O-N 3.11Å; S88-N90 PolarHBondContact OG-N 2.78Å; N90-V92 VanDerWaalsContact C-N 3.27Å; N90-V92 HydrophobicContact CB-CG2 4.39Å; N90-V92 PolarHBondContact O-N 2.84Å
91G97.8Very high98.1Very high50 Ų5055.2 Ų55.252%0.51528%0.279SS..SBendtrans72.114.5-179.500000114.5H87 S88 D89H87-G91 PolarHBondContact CD2-O 3.04Å; S88-G91 PolarHBondContact O-N 3.46Å; D89-G91 VanDerWaalsContact C-N 3.29Å
92V98.4Very high98.1Very high47 Ų4753 Ų5329%0.28528%0.28SS..  trans-85.6125.7179.3-176.20000109.4H87 S88 N90 F94 K96 M97H87-V92 CarbonylContact C-O 3.5Å; H87-V92 WeakPolarHBondContact CA-O 3.39Å; S88-V92 PolarHBondContact N-O 3.18Å; S88-V92 WeakPolarHBondContact OG-CB 3.47Å; S88-V92 PolarHBondContact OG-N 3.44Å; S88-V92 PolarHBondContact OG-O 3.13Å; N90-V92 VanDerWaalsContact C-N 3.27Å; N90-V92 HydrophobicContact CB-CG2 4.39Å; N90-V92 PolarHBondContact O-N 2.84Å; V92-F94 PolarHBondContact O-N 3.21Å; V92-K96 HydrophobicContact CG1-CB 4.17Å; V92-K96 HydrophobicContact CG1-CD 4.15Å; V92-K96 HydrophobicContact CG1-CG 4.35Å; V92-M97 HydrophobicContact CB-CG 4.33Å; V92-M97 HydrophobicContact CG1-CG 3.8Å
93P98.7Very high98.1Very high47 Ų4751.2 Ų51.231%0.30527%0.272SS..BIsolated β-bridgetrans-57.9137.3175.3-22.431000111.6V95 K96 M97P93-V95 PolarHBondContact O-N 3.05Å; P93-K96 HydrophobicContact CB-CB 4.35Å; P93-K96 WeakPolarHBondContact O-CA 3.16Å; P93-K96 WeakPolarHBondContact O-CB 3.34Å; P93-K96 PolarHBondContact O-N 2.94Å; P93-M97 PolarHBondContact O-N 2.86Å; P93-M97 VanDerWaalsContact O-N 3.13Å
94F98.8Very high98.1Very high0 Ų051.9 Ų51.90%028%0.275CS..Hα-helixtrans-59.9-34.2179-71.6-30.6000113R57 R60 Q61 F64 F79 T83 Q86 V92 K96 M97 I98R57-F94 HydrophobicContact CG-CE2 3.97Å; R57-F94 HydrophobicContact CG-CZ 3.87Å; R57-F94 WeakPolarHBondContact O-CZ 3.46Å; R60-F94 HydrophobicContact CB-CD2 4.48Å; R60-F94 HydrophobicContact CB-CE2 3.87Å; R60-F94 HydrophobicContact CB-CZ 4.25Å; Q61-F94 HydrophobicContact CB-CE1 3.81Å; Q61-F94 HydrophobicContact CB-CZ 3.86Å; Q61-F94 HydrophobicContact CG-CE1 4.31Å; F64-F94 HydrophobicContact CD2-CB 3.93Å; F64-F94 AromaticContact CD2-CD1 3.75Å; F64-F94 HydrophobicContact CD2-CD1 3.75Å; F64-F94 HydrophobicContact CD2-CD2 4.14Å; F64-F94 HydrophobicContact CD2-CE1 4.24Å; F64-F94 AromaticContact CD2-CG 3.7Å; F64-F94 HydrophobicContact CD2-CG 3.7Å; F64-F94 HydrophobicContact CE2-CB 3.98Å; F64-F94 HydrophobicContact CE2-CD1 4.36Å; F64-F94 AromaticContact CE2-CD2 3.93Å; F64-F94 HydrophobicContact CE2-CD2 3.93Å; F64-F94 HydrophobicContact CE2-CE2 4.46Å; F64-F94 AromaticContact CE2-CG 3.86Å; F64-F94 HydrophobicContact CE2-CG 3.86Å; F79-F94 HydrophobicContact CE2-CB 3.95Å; F79-F94 HydrophobicContact CZ-CB 4.11Å; T83-F94 HydrophobicContact CG2-CD2 3.79Å; T83-F94 HydrophobicContact CG2-CE2 4.33Å; Q86-F94 HydrophobicContact CB-CD2 3.49Å; Q86-F94 VanDerWaalsContact CB-CD2 3.49Å; Q86-F94 HydrophobicContact CB-CE2 3.42Å; Q86-F94 VanDerWaalsContact CB-CE2 3.42Å; Q86-F94 HydrophobicContact CB-CZ 4.44Å; Q86-F94 HydrophobicContact CG-CE2 4.47Å; Q86-F94 PolarHBondContact O-N 3.45Å; V92-F94 PolarHBondContact O-N 3.21Å; F94-K96 PolarHBondContact O-N 2.64Å; F94-M97 HydrophobicContact CD1-SD 3.7Å; F94-M97 HydrophobicContact CE1-SD 4.15Å; F94-M97 PolarHBondContact O-N 2.97Å; F94-I98 WeakPolarHBondContact O-CG1 3.5Å; F94-I98 PolarHBondContact O-N 3.41Å; F94-I98 VanDerWaalsContact O-N 3.13Å
95V98.6Very high98.1Very high16 Ų1651.7 Ų51.710%0.09727%0.274CS..Hα-helixtrans-54.6-43.9172.2173.70000111.2F79 L84 P93 I98 R99 V105F79-V95 HydrophobicContact CE2-CG2 4.19Å; L84-V95 HydrophobicContact CD1-CG2 3.5Å; L84-V95 HydrophobicContact CG-CG2 4.15Å; L84-V95 WeakPolarHBondContact O-CG2 3.46Å; P93-V95 PolarHBondContact O-N 3.05Å; V95-I98 PolarHBondContact O-N 2.9Å; V95-R99 HydrophobicContact CG1-CG 4.39Å; V95-R99 WeakPolarHBondContact O-CB 3.36Å; V95-R99 VanDerWaalsContact O-CG 3.29Å; V95-R99 WeakPolarHBondContact O-CG 3.47Å; V95-R99 PolarHBondContact O-N 3.24Å; V95-V105 HydrophobicContact CG1-CG2 4.28Å; V95-V105 HydrophobicContact CG2-CG1 4.4Å
96K98.4Very high98.1Very high102 Ų10247.1 Ų47.144%0.44326%0.256SS..Hα-helixtrans-67.4-44.5179-172.3178.4-175-59.30111.1V92 P93 F94 I98 R99 D100V92-K96 HydrophobicContact CG1-CB 4.17Å; V92-K96 HydrophobicContact CG1-CD 4.15Å; V92-K96 HydrophobicContact CG1-CG 4.35Å; P93-K96 HydrophobicContact CB-CB 4.35Å; P93-K96 WeakPolarHBondContact O-CA 3.16Å; P93-K96 WeakPolarHBondContact O-CB 3.34Å; P93-K96 PolarHBondContact O-N 2.94Å; F94-K96 PolarHBondContact O-N 2.64Å; K96-I98 PolarHBondContact O-N 3.11Å; K96-R99 PolarHBondContact O-N 2.93Å; K96-D100 IonicContact NZ-OD1 3.52Å; K96-D100 IonicContact NZ-OD2 3.59Å; K96-D100 PolarHBondContact NZ-OD2 3.29Å; K96-D100 WeakPolarHBondContact O-CB 3.23Å; K96-D100 VanDerWaalsContact O-CG 3.24Å; K96-D100 PolarHBondContact O-N 3.23Å
97M98.1Very high98.1Very high28 Ų2846.6 Ų46.614%0.13825%0.254CS..Hα-helixtrans-55.2-38.7177.4-68.6-1796300113.1F64 V92 P93 F94 R101F64-M97 HydrophobicContact CB-CE 3.97Å; F64-M97 WeakPolarHBondContact O-CE 3.21Å; V92-M97 HydrophobicContact CB-CG 4.33Å; V92-M97 HydrophobicContact CG1-CG 3.8Å; P93-M97 PolarHBondContact O-N 2.86Å; P93-M97 VanDerWaalsContact O-N 3.13Å; F94-M97 HydrophobicContact CD1-SD 3.7Å; F94-M97 HydrophobicContact CE1-SD 4.15Å; F94-M97 PolarHBondContact O-N 2.97Å; M97-R101 WeakPolarHBondContact O-CD 3.28Å; M97-R101 PolarHBondContact O-NE 3.19Å
98I98.4Very high98.1Very high1 Ų143.6 Ų43.61%0.00524%0.239CC..Hα-helixtrans-76.8-45178.4-63.6-51.7000111.4F64 V77 F79 F94 V95 K96 D100 R101 I103 V105F64-I98 HydrophobicContact CB-CD1 4.06Å; F64-I98 HydrophobicContact CD1-CD1 3.76Å; F64-I98 HydrophobicContact CE1-CD1 4.43Å; F64-I98 HydrophobicContact CG-CD1 3.89Å; F64-I98 HydrophobicContact CG-CG1 4.48Å; V77-I98 HydrophobicContact CB-CG2 4.46Å; V77-I98 HydrophobicContact CG2-CD1 4.04Å; V77-I98 HydrophobicContact CG2-CG1 4.38Å; V77-I98 HydrophobicContact CG2-CG2 4.02Å; F79-I98 HydrophobicContact CE1-CG1 4.14Å; F79-I98 HydrophobicContact CZ-CG1 3.66Å; F94-I98 WeakPolarHBondContact O-CG1 3.5Å; F94-I98 PolarHBondContact O-N 3.41Å; F94-I98 VanDerWaalsContact O-N 3.13Å; V95-I98 PolarHBondContact O-N 2.9Å; K96-I98 PolarHBondContact O-N 3.11Å; I98-D100 PolarHBondContact O-N 3.01Å; I98-R101 WeakPolarHBondContact O-CB 3.26Å; I98-R101 PolarHBondContact O-N 3.39Å; I98-I103 HydrophobicContact CG2-CB 3.68Å; I98-I103 HydrophobicContact CG2-CG2 3.67Å; I98-I103 PolarHBondContact O-N 3.47Å; I98-V105 HydrophobicContact CB-CG2 3.89Å; I98-V105 HydrophobicContact CG2-CG2 3.67Å
99R98.1Very high98.2Very high134 Ų13442.9 Ų42.951%0.50623%0.234SC..Hα-helixtrans-67.6-36.3-177-74.2178.164.1130.4-4.5113.5V95 K96 R101 G102 V105 G142V95-R99 HydrophobicContact CG1-CG 4.39Å; V95-R99 WeakPolarHBondContact O-CB 3.36Å; V95-R99 VanDerWaalsContact O-CG 3.29Å; V95-R99 WeakPolarHBondContact O-CG 3.47Å; V95-R99 PolarHBondContact O-N 3.24Å; K96-R99 PolarHBondContact O-N 2.93Å; R99-R101 PolarHBondContact O-N 2.87Å; R99-R101 VanDerWaalsContact O-N 3.14Å; R99-G102 PolarHBondContact O-N 3.35Å; R99-V105 HydrophobicContact CG-CG2 3.99Å; R99-G142 VanDerWaalsContact NH1-CA 3.32Å; R99-G142 PolarHBondContact NH1-O 3.44Å; R99-G142 VanDerWaalsContact NH1-O 3.13Å
100D97.3Very high98.2Very high108 Ų10839.8 Ų39.858%0.57822%0.218SC*.THydrogen-bonded Turntrans-61.9-21178.6-72.4-6.8000112.3K96 I98 G102K96-D100 IonicContact NZ-OD1 3.52Å; K96-D100 IonicContact NZ-OD2 3.59Å; K96-D100 PolarHBondContact NZ-OD2 3.29Å; K96-D100 WeakPolarHBondContact O-CB 3.23Å; K96-D100 VanDerWaalsContact O-CG 3.24Å; K96-D100 PolarHBondContact O-N 3.23Å; I98-D100 PolarHBondContact O-N 3.01Å; D100-G102 VanDerWaalsContact C-N 3.34Å
101R96.3Very high98.3Very high57 Ų5738 Ų3822%0.21520%0.203CC..THydrogen-bonded Turntrans-88.70.8174.8-61.8165.2-179.2-108.42.8113.8F64 A66 D67 M97 I98 R99 I103F64-R101 PolarHBondContact O-NH2 3.03Å; A66-R101 PolarHBondContact O-NH1 2.88Å; A66-R101 PolarHBondContact O-NH2 3.4Å; D67-R101 PolarHBondContact O-NH1 3.46Å; M97-R101 WeakPolarHBondContact O-CD 3.28Å; M97-R101 PolarHBondContact O-NE 3.19Å; I98-R101 WeakPolarHBondContact O-CB 3.26Å; I98-R101 PolarHBondContact O-N 3.39Å; R99-R101 PolarHBondContact O-N 2.87Å; R99-R101 VanDerWaalsContact O-N 3.14Å; R101-I103 HydrophobicContact CB-CD1 4.06Å; R101-I103 HydrophobicContact CB-CG1 4.03Å; R101-I103 PolarHBondContact O-N 2.95Å
102G97.3Very high98.2Very high40 Ų4036.7 Ų36.741%0.41219%0.19SC..THydrogen-bonded Turntrans73.310.6-173.400000114.6R99 D100R99-G102 PolarHBondContact O-N 3.35Å; D100-G102 VanDerWaalsContact C-N 3.34Å
103I98.6Very high98.2Very high2 Ų237.6 Ų37.61%0.0120%0.195CC..PPolyproline II helixtrans-84.6140.4176.1-55.6173.5000108.9I70 I74 V77 I98 R101I70-I103 HydrophobicContact CD1-CD1 3.88Å; I70-I103 HydrophobicContact CG1-CD1 4.38Å; I74-I103 HydrophobicContact CB-CD1 4.2Å; I74-I103 HydrophobicContact CG2-CD1 4.39Å; I74-I103 HydrophobicContact CG2-CG2 3.84Å; V77-I103 HydrophobicContact CG2-CG2 3.87Å; I98-I103 HydrophobicContact CG2-CB 3.68Å; I98-I103 HydrophobicContact CG2-CG2 3.67Å; I98-I103 PolarHBondContact O-N 3.47Å; R101-I103 HydrophobicContact CB-CD1 4.06Å; R101-I103 HydrophobicContact CB-CG1 4.03Å; R101-I103 PolarHBondContact O-N 2.95Å
104L98.8Very high98.2Very high18 Ų1837.3 Ų37.39%0.09419%0.192CC..EExtended strand (participates in β ladder)trans-83.6143.2-178.6-61.8179.2000111.7T19 R22 I23 G75 G76 V77 V144 F145T19-L104 HydrophobicContact CG2-CD1 4.13Å; R22-L104 HydrophobicContact CB-CD1 3.71Å; I23-L104 HydrophobicContact CG1-CB 4.42Å; I23-L104 HydrophobicContact CG1-CD1 3.63Å; G75-L104 WeakPolarHBondContact O-CB 3.24Å; G75-L104 PolarHBondContact O-N 3.28Å; G76-L104 CarbonylContact C-O 3.44Å; G76-L104 WeakPolarHBondContact CA-O 3.36Å; V77-L104 PolarHBondContact N-O 3.37Å; L104-V144 HydrophobicContact CB-CG2 3.88Å; L104-V144 HydrophobicContact CD1-CG2 4.2Å; L104-V144 HydrophobicContact CD2-CG2 4.05Å; L104-V144 HydrophobicContact CG-CG2 4.25Å; L104-F145 HydrophobicContact CB-CD1 4.41Å; L104-F145 HydrophobicContact CB-CE1 4.19Å
105V98.9Very high98.2Very high1 Ų142.6 Ų42.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-97.2133.3177.11750000109.4F79 L84 V95 I98 R99 A143 V144 F145F79-V105 HydrophobicContact CD2-CG1 4.15Å; F79-V105 HydrophobicContact CE2-CG1 4.3Å; L84-V105 HydrophobicContact CD1-CG1 3.87Å; V95-V105 HydrophobicContact CG1-CG2 4.28Å; V95-V105 HydrophobicContact CG2-CG1 4.4Å; I98-V105 HydrophobicContact CB-CG2 3.89Å; I98-V105 HydrophobicContact CG2-CG2 3.67Å; R99-V105 HydrophobicContact CG-CG2 3.99Å; V105-A143 HydrophobicContact CG1-CB 4.31Å; V105-A143 CarbonylContact O-C 3.52Å; V105-A143 WeakPolarHBondContact O-CA 3.41Å; V105-V144 PolarHBondContact O-N 3.28Å; V105-F145 VanDerWaalsContact O-CD1 3.3Å; V105-F145 WeakPolarHBondContact O-CD1 3.5Å
106G98.9Very high98.2Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-128.2166.3172.300000111.9V77 F79 F145V77-G106 PolarHBondContact O-N 3.48Å; F79-G106 PolarHBondContact N-O 2.66Å; G106-F145 CarbonylContact C-O 3.43Å; G106-F145 VanDerWaalsContact CA-CD1 3.46Å; G106-F145 WeakPolarHBondContact CA-O 3.38Å
107V98.9Very high98.2Very high1 Ų143 Ų431%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-137.5137.1-174.661.40000111.8F79 L84 V109 Y138 A143 F145 A146 K147F79-V107 WeakPolarHBondContact O-CA 3.37Å; L84-V107 HydrophobicContact CD2-CG2 4.47Å; V107-V109 HydrophobicContact CG1-CG1 3.91Å; V107-V109 PolarHBondContact O-N 2.7Å; V107-Y138 HydrophobicContact CG1-CD2 3.66Å; V107-Y138 HydrophobicContact CG1-CE2 4.26Å; V107-Y138 HydrophobicContact CG1-CG 3.82Å; V107-Y138 HydrophobicContact CG2-CD1 4.35Å; V107-Y138 HydrophobicContact CG2-CD2 4.27Å; V107-Y138 HydrophobicContact CG2-CE1 4.23Å; V107-Y138 HydrophobicContact CG2-CE2 4.14Å; V107-Y138 HydrophobicContact CG2-CG 4.38Å; V107-A143 HydrophobicContact CB-CB 4.41Å; V107-A143 HydrophobicContact CG1-CB 4.03Å; V107-F145 PolarHBondContact N-O 3.28Å; V107-A146 CarbonylContact O-C 3.51Å; V107-A146 WeakPolarHBondContact O-CA 3.18Å; V107-K147 PolarHBondContact O-N 3.45Å
108K98.8Very high98.1Very high25 Ų2546 Ų4611%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-73.8120.6169.5178.7-178.5-176-71.30109.7D34 I78 F79 D110 K147D34-K108 HydrophobicContact CB-CB 3.81Å; D34-K108 HydrophobicContact CB-CD 4.4Å; D34-K108 WeakPolarHBondContact O-CD 3.15Å; D34-K108 WeakPolarHBondContact OD2-CD 3.45Å; I78-K108 HydrophobicContact CG2-CB 4.5Å; F79-K108 PolarHBondContact O-N 2.81Å; K108-D110 WeakPolarHBondContact CE-OD1 3.25Å; K108-D110 WeakPolarHBondContact CE-OD2 3.46Å; K108-D110 WeakPolarHBondContact CG-OD2 3.16Å; K108-D110 PolarHBondContact NZ-O 2.68Å; K108-D110 IonicContact NZ-OD1 2.78Å; K108-D110 PolarHBondContact NZ-OD1 3.48Å; K108-D110 IonicContact NZ-OD2 2.68Å; K108-D110 PolarHBondContact NZ-OD2 3.16Å; K108-K147 WeakPolarHBondContact CA-O 3.44Å
109V98.7Very high98.1Very high0 Ų047.5 Ų47.50%030%0.295CS..  trans-106.8-19.7-173.4-67.40000114V107 L131 R134 Y138 A146 K147 W148V107-V109 HydrophobicContact CG1-CG1 3.91Å; V107-V109 PolarHBondContact O-N 2.7Å; V109-L131 HydrophobicContact CB-CD1 3.71Å; V109-L131 HydrophobicContact CG1-CD1 4.26Å; V109-L131 HydrophobicContact CG2-CD1 4.1Å; V109-R134 PolarHBondContact O-NH1 3.37Å; V109-R134 PolarHBondContact O-NH2 3.04Å; V109-Y138 HydrophobicContact CG1-CD2 4.1Å; V109-Y138 HydrophobicContact CG1-CE2 3.99Å; V109-A146 HydrophobicContact CG1-CB 3.81Å; V109-A146 HydrophobicContact CG2-CB 3.96Å; V109-K147 WeakPolarHBondContact CG2-O 3.17Å; V109-K147 PolarHBondContact N-O 3.07Å; V109-W148 HydrophobicContact CG2-CE3 4.03Å
110D98.5Very high98Very high10 Ų1045 Ų455%0.05330%0.297CS..  trans-68.614917677.878.3000112.5K108 G112 T125 W148 R149K108-D110 WeakPolarHBondContact CE-OD1 3.25Å; K108-D110 WeakPolarHBondContact CE-OD2 3.46Å; K108-D110 WeakPolarHBondContact CG-OD2 3.16Å; K108-D110 PolarHBondContact NZ-O 2.68Å; K108-D110 IonicContact NZ-OD1 2.78Å; K108-D110 PolarHBondContact NZ-OD1 3.48Å; K108-D110 IonicContact NZ-OD2 2.68Å; K108-D110 PolarHBondContact NZ-OD2 3.16Å; D110-G112 PolarHBondContact OD1-N 2.93Å; D110-T125 HydrophobicContact CB-CG2 3.58Å; D110-W148 HydrophobicContact CB-CB 4.45Å; D110-W148 HydrophobicContact CB-CD2 3.46Å; D110-W148 VanDerWaalsContact CB-CD2 3.46Å; D110-W148 HydrophobicContact CB-CE3 3.62Å; D110-W148 HydrophobicContact CB-CG 3.86Å; D110-W148 HydrophobicContact CB-CH2 4.41Å; D110-W148 HydrophobicContact CB-CZ2 4.27Å; D110-W148 HydrophobicContact CB-CZ3 4.1Å; D110-R149 PolarHBondContact OD2-N 3.29Å; D110-R149 VanDerWaalsContact OD2-N 3.12Å
111K97.7Very high98Very high110 Ų11042.2 Ų42.248%0.47829%0.294SS..  trans-101.926.9178.9-64-176.7-176168.40112.1Q126K111-Q126 HydrophobicContact CB-CG 4.07Å; K111-Q126 PolarHBondContact N-O 3.48Å; K111-Q126 PolarHBondContact O-NE2 3.28Å
112G96.5Very high98.1Very high24 Ų2439.9 Ų39.925%0.24729%0.285CS..  trans87.5174.9176.300000114.7D110 T125 Q126D110-G112 PolarHBondContact OD1-N 2.93Å; G112-T125 WeakPolarHBondContact O-CA 3.42Å; G112-T125 WeakPolarHBondContact O-CG2 3.25Å; G112-Q126 VanDerWaalsContact O-CG 3.31Å; G112-Q126 WeakPolarHBondContact O-CG 3.47Å; G112-Q126 PolarHBondContact O-N 3.38Å
113V97.9Very high98.2Very high65 Ų6539 Ų3939%0.39427%0.272SS..EExtended strand (participates in β ladder)trans-83.7149.5-178.8-63.70000111.9T123 T124 V151V113-T123 HydrophobicContact CB-CG2 4.06Å; V113-T123 HydrophobicContact CG2-CG2 4.2Å; V113-T124 CarbonylContact C-O 3.57Å; V113-T124 VanDerWaalsContact CA-O 3.24Å; V113-T124 WeakPolarHBondContact CA-O 3.38Å; V113-V151 HydrophobicContact CG1-CB 4.16Å; V113-V151 HydrophobicContact CG1-CG2 3.67Å
114V98.5Very high98.2Very high41 Ų4139.6 Ų39.625%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-131.7145.4174-67.40000109.9T123 T124 Q126V114-T123 CarbonylContact O-C 3.54Å; V114-T123 WeakPolarHBondContact O-CA 3.25Å; V114-T123 VanDerWaalsContact O-CB 3.28Å; V114-T123 WeakPolarHBondContact O-CB 3.22Å; V114-T124 HydrophobicContact CG2-CG2 3.62Å; V114-T124 PolarHBondContact N-O 3.41Å; V114-T124 PolarHBondContact O-N 3.04Å; V114-Q126 HydrophobicContact CG1-CB 4.32Å; V114-Q126 HydrophobicContact CG1-CG 3.83Å
115P98.6Very high98.2Very high112 Ų11238.9 Ų38.973%0.72727%0.272SS*.EExtended strand (participates in β ladder)trans-66.7142.8-177.127.9-34.8000111.8
116L98.5Very high98.2Very high26 Ų2643.5 Ų43.514%0.13629%0.293CS..  trans-90.8112169.3-72.9170.1000109.6G118 T119 E122 T124 A163 E166L116-G118 PolarHBondContact O-N 2.96Å; L116-T119 HydrophobicContact CB-CG2 3.63Å; L116-T119 WeakPolarHBondContact O-CB 3.49Å; L116-T119 PolarHBondContact O-N 3.17Å; L116-T119 PolarHBondContact O-OG1 3.22Å; L116-E122 PolarHBondContact N-O 2.62Å; L116-T124 HydrophobicContact CD2-CG2 3.81Å; L116-T124 HydrophobicContact CG-CG2 4.37Å; L116-A163 HydrophobicContact CD1-CB 4.08Å; L116-E166 HydrophobicContact CD2-CG 4.06Å
117A98.4Very high98.2Very high100 Ų10043.9 Ų43.983%0.82630%0.297SS*.THydrogen-bonded Turntrans-57.8138.117800000111.1T119A117-T119 VanDerWaalsContact C-N 3.31Å
118G97.5Very high98.2Very high92 Ų9246 Ų4695%0.94831%0.309SS*.THydrogen-bonded Turntrans79.17.8-177.700000115.2L116L116-G118 PolarHBondContact O-N 2.96Å
119T98.3Very high98.2Very high32 Ų3251.5 Ų51.520%0.19634%0.339CS..SBendtrans-110163175.471.50000112.7L116 A117 G121 E122 L162L116-T119 HydrophobicContact CB-CG2 3.63Å; L116-T119 WeakPolarHBondContact O-CB 3.49Å; L116-T119 PolarHBondContact O-N 3.17Å; L116-T119 PolarHBondContact O-OG1 3.22Å; A117-T119 VanDerWaalsContact C-N 3.31Å; T119-G121 VanDerWaalsContact C-N 3.3Å; T119-G121 PolarHBondContact O-N 3.47Å; T119-E122 WeakPolarHBondContact CB-OE2 3.4Å; T119-E122 HydrophobicContact CG2-CB 4.41Å; T119-E122 WeakPolarHBondContact OG1-CB 3.37Å; T119-E122 PolarHBondContact OG1-N 3.45Å; T119-L162 HydrophobicContact CG2-CD2 3.84Å
120C96.1Very high98.1Very high82 Ų8253.3 Ų53.355%0.55436%0.358SS*.SBendtrans-82.972.3177.6-1680000111.3E122 N158C120-E122 VanDerWaalsContact C-N 3.26Å; C120-E122 PolarHBondContact O-N 3.25Å; C120-N158 PolarHBondContact O-ND2 2.85Å
121G96.6Very high98.2Very high49 Ų4952.9 Ų52.951%0.50536%0.355SS..SBendtrans64.928.7176.600000114.1T119 K153T119-G121 VanDerWaalsContact C-N 3.3Å; T119-G121 PolarHBondContact O-N 3.47Å; G121-K153 PolarHBondContact O-NZ 3Å
122E98.6Very high98.2Very high8 Ų849.3 Ų49.34%0.03735%0.347CS..  trans-87.9163.9174.7-51.4-173.999.300111.1L116 T119 C120 N158 P159 S160 A163L116-E122 PolarHBondContact N-O 2.62Å; T119-E122 WeakPolarHBondContact CB-OE2 3.4Å; T119-E122 HydrophobicContact CG2-CB 4.41Å; T119-E122 WeakPolarHBondContact OG1-CB 3.37Å; T119-E122 PolarHBondContact OG1-N 3.45Å; C120-E122 VanDerWaalsContact C-N 3.26Å; C120-E122 PolarHBondContact O-N 3.25Å; E122-N158 VanDerWaalsContact CG-OD1 3.29Å; E122-N158 WeakPolarHBondContact CG-OD1 3.37Å; E122-N158 PolarHBondContact OE1-OD1 2.88Å; E122-P159 VanDerWaalsContact OE1-CA 3.25Å; E122-P159 WeakPolarHBondContact OE1-CA 3.49Å; E122-S160 PolarHBondContact OE1-N 3.35Å; E122-S160 WeakPolarHBondContact OE2-CB 3.31Å; E122-S160 PolarHBondContact OE2-OG 2.88Å; E122-A163 HydrophobicContact CB-CB 4.05Å; E122-A163 VanDerWaalsContact CD-CB 3.45Å; E122-A163 HydrophobicContact CG-CB 4.35Å; E122-A163 WeakPolarHBondContact OE1-CB 3.36Å
123T98.8Very high98.3Very high22 Ų2254.5 Ų54.514%0.13536%0.364CS..EExtended strand (participates in β ladder)trans-137.4153.5-173.5540000112.1V113 V114 V151 N167V113-T123 HydrophobicContact CB-CG2 4.06Å; V113-T123 HydrophobicContact CG2-CG2 4.2Å; V114-T123 CarbonylContact O-C 3.54Å; V114-T123 WeakPolarHBondContact O-CA 3.25Å; V114-T123 VanDerWaalsContact O-CB 3.28Å; V114-T123 WeakPolarHBondContact O-CB 3.22Å; T123-V151 PolarHBondContact OG1-O 3.21Å; T123-N167 PolarHBondContact O-ND2 2.95Å
124T98.8Very high98.4Very high13 Ų1353.9 Ų53.98%0.0836%0.355CS..EExtended strand (participates in β ladder)trans-109.1-179.2154-172.50000108.8V113 V114 L116 E166V113-T124 CarbonylContact C-O 3.57Å; V113-T124 VanDerWaalsContact CA-O 3.24Å; V113-T124 WeakPolarHBondContact CA-O 3.38Å; V114-T124 HydrophobicContact CG2-CG2 3.62Å; V114-T124 PolarHBondContact N-O 3.41Å; V114-T124 PolarHBondContact O-N 3.04Å; L116-T124 HydrophobicContact CD2-CG2 3.81Å; L116-T124 HydrophobicContact CG-CG2 4.37Å; T124-E166 HydrophobicContact CG2-CG 4.16Å; T124-E166 WeakPolarHBondContact OG1-CG 3.35Å; T124-E166 PolarHBondContact OG1-OE1 3.01Å; T124-E166 VanDerWaalsContact OG1-OE1 3.1Å
125T98.8Very high98.4Very high4 Ų452 Ų523%0.02534%0.344CS..EExtended strand (participates in β ladder)trans-119137.3179.4-60.30000110.1D110 G112 W148 R149 C150D110-T125 HydrophobicContact CB-CG2 3.58Å; G112-T125 WeakPolarHBondContact O-CA 3.42Å; G112-T125 WeakPolarHBondContact O-CG2 3.25Å; T125-W148 HydrophobicContact CG2-CD2 4.4Å; T125-W148 VanDerWaalsContact CG2-CE2 3.5Å; T125-W148 HydrophobicContact CG2-CZ2 3.68Å; T125-W148 VanDerWaalsContact CG2-NE1 3.3Å; T125-W148 WeakPolarHBondContact O-CZ2 3.44Å; T125-R149 WeakPolarHBondContact CB-O 3.31Å; T125-R149 VanDerWaalsContact CG2-O 3.24Å; T125-R149 WeakPolarHBondContact CG2-O 3.42Å; T125-R149 PolarHBondContact OG1-O 3.42Å; T125-C150 WeakPolarHBondContact OG1-CA 3.29Å
126Q98.6Very high98.4Very high97 Ų9748.2 Ų48.245%0.45332%0.321SS..  trans-102.3164.1179.458.9170.814.700112.3K111 G112 V114 W148K111-Q126 HydrophobicContact CB-CG 4.07Å; K111-Q126 PolarHBondContact N-O 3.48Å; K111-Q126 PolarHBondContact O-NE2 3.28Å; G112-Q126 VanDerWaalsContact O-CG 3.31Å; G112-Q126 WeakPolarHBondContact O-CG 3.47Å; G112-Q126 PolarHBondContact O-N 3.38Å; V114-Q126 HydrophobicContact CG1-CB 4.32Å; V114-Q126 HydrophobicContact CG1-CG 3.83Å; Q126-W148 VanDerWaalsContact C-CH2 3.42Å; Q126-W148 WeakPolarHBondContact O-CH2 3.34Å
127G98.5Very high98.4Very high8 Ų851 Ų518%0.08233%0.334CS..  trans133.28.5172.900000116.7D129 W148G127-D129 VanDerWaalsContact C-N 3.31Å; G127-W148 VanDerWaalsContact C-CH2 3.47Å
128L98.8Very high98.4Very high47 Ų4746.6 Ų46.625%0.24630%0.296CS..  trans-69.9-28.4178.6-65.1-177.2000112.4G130 L131 W148 V170 R173 C174 I177L128-G130 PolarHBondContact O-N 2.99Å; L128-L131 HydrophobicContact CD2-CD2 3.92Å; L128-L131 WeakPolarHBondContact O-CB 3.34Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-W148 HydrophobicContact CD2-CH2 3.81Å; L128-W148 HydrophobicContact CD2-CZ2 4.46Å; L128-W148 HydrophobicContact CD2-CZ3 4.06Å; L128-W148 HydrophobicContact CG-CH2 4Å; L128-V170 HydrophobicContact CD1-CG2 3.86Å; L128-V170 HydrophobicContact CD2-CG2 4.36Å; L128-V170 HydrophobicContact CG-CG2 4.06Å; L128-R173 HydrophobicContact CD1-CB 3.71Å; L128-R173 HydrophobicContact CD1-CG 4.22Å; L128-R173 HydrophobicContact CD2-CB 4.05Å; L128-C174 HydrophobicContact CD2-CB 4.07Å; L128-I177 HydrophobicContact CD2-CD1 4.29Å
129D98.7Very high98.5Very high139 Ų13944.8 Ų44.874%0.74326%0.262SS*.THydrogen-bonded Turntrans-63.3121179.9-57.6-17.8000111.1G127 L131G127-D129 VanDerWaalsContact C-N 3.31Å; D129-L131 PolarHBondContact O-N 2.87Å
130G98.6Very high98.5Very high38 Ų3851 Ų5139%0.39229%0.286SS..THydrogen-bonded Turntrans67.816.6-17600000114.2L128 A132 E133 R134L128-G130 PolarHBondContact O-N 2.99Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 2.93Å; G130-E133 VanDerWaalsContact C-OE2 3.27Å; G130-E133 VanDerWaalsContact CA-OE2 3.25Å; G130-E133 WeakPolarHBondContact CA-OE2 3.14Å; G130-R134 WeakPolarHBondContact O-CB 3.5Å; G130-R134 VanDerWaalsContact O-CG 3.28Å; G130-R134 WeakPolarHBondContact O-CG 3.48Å; G130-R134 PolarHBondContact O-N 2.97Å; G130-R134 VanDerWaalsContact O-N 3.11Å
131L98.8Very high98.6Very high1 Ų149.4 Ų49.41%0.00527%0.272CS..Hα-helixtrans-67.1-34.2-175.4-179.761.3000112.4V109 L128 D129 R134 C135 W148 C174 I177V109-L131 HydrophobicContact CB-CD1 3.71Å; V109-L131 HydrophobicContact CG1-CD1 4.26Å; V109-L131 HydrophobicContact CG2-CD1 4.1Å; L128-L131 HydrophobicContact CD2-CD2 3.92Å; L128-L131 WeakPolarHBondContact O-CB 3.34Å; L128-L131 PolarHBondContact O-N 3.42Å; D129-L131 PolarHBondContact O-N 2.87Å; L131-R134 PolarHBondContact O-N 2.74Å; L131-C135 WeakPolarHBondContact O-CB 3.34Å; L131-C135 PolarHBondContact O-N 3.48Å; L131-C135 PolarHBondContact O-SG 3.28Å; L131-C135 VanDerWaalsContact O-SG 3.41Å; L131-W148 HydrophobicContact CD2-CZ3 4.12Å; L131-C174 HydrophobicContact CD2-CB 4.25Å; L131-I177 HydrophobicContact CB-CD1 4.45Å; L131-I177 HydrophobicContact CB-CG2 4.09Å; L131-I177 HydrophobicContact CD2-CB 4.16Å; L131-I177 HydrophobicContact CD2-CD1 4.13Å; L131-I177 HydrophobicContact CD2-CG2 4.02Å; L131-I177 HydrophobicContact CG-CB 4.45Å; L131-I177 HydrophobicContact CG-CG2 3.76Å
132A98.8Very high98.7Very high36 Ų3647.3 Ų47.330%0.29825%0.251SS..Hα-helixtrans-63.6-49179.300000111.1G130 R134 C135 A136 I177 N181G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 2.93Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 3.49Å; A132-C135 PolarHBondContact O-N 3.27Å; A132-A136 PolarHBondContact O-N 3.49Å; A132-I177 HydrophobicContact CB-CG2 3.94Å; A132-N181 PolarHBondContact O-OD1 2.89Å
133E98.8Very high98.7Very high132 Ų13247 Ų4762%0.61725%0.249SC*.Hα-helixtrans-62.1-42.5178.1-62.872.7-160.700110.8G130 A136 Q137G130-E133 VanDerWaalsContact C-OE2 3.27Å; G130-E133 VanDerWaalsContact CA-OE2 3.25Å; G130-E133 WeakPolarHBondContact CA-OE2 3.14Å; E133-A136 PolarHBondContact O-N 2.95Å; E133-Q137 WeakPolarHBondContact O-CB 3.36Å; E133-Q137 PolarHBondContact O-N 3.41Å
134R98.8Very high98.7Very high53 Ų5347 Ų4720%0.225%0.249CC..Hα-helixtrans-62.5-45.2174.4-74.417561-145.4-1.7112.1V109 G130 L131 A132 Q137 Y138V109-R134 PolarHBondContact O-NH1 3.37Å; V109-R134 PolarHBondContact O-NH2 3.04Å; G130-R134 WeakPolarHBondContact O-CB 3.5Å; G130-R134 VanDerWaalsContact O-CG 3.28Å; G130-R134 WeakPolarHBondContact O-CG 3.48Å; G130-R134 PolarHBondContact O-N 2.97Å; G130-R134 VanDerWaalsContact O-N 3.11Å; L131-R134 PolarHBondContact O-N 2.74Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 3.49Å; R134-Q137 PolarHBondContact O-N 2.83Å; R134-Y138 HydrophobicContact CB-CD2 4.33Å; R134-Y138 HydrophobicContact CB-CE2 3.92Å; R134-Y138 PolarHBondContact NE-OH 3.02Å; R134-Y138 PolarHBondContact NH2-OH 3.23Å; R134-Y138 WeakPolarHBondContact O-CB 3.46Å; R134-Y138 WeakPolarHBondContact O-CD2 3.33Å; R134-Y138 PolarHBondContact O-N 3.41Å
135C98.9Very high98.7Very high1 Ų146.3 Ų46.31%0.00725%0.245CC..Hα-helixtrans-62.3-43.8177-80.10000111.7L131 A132 Q137 Y138 K139 N181 I183L131-C135 WeakPolarHBondContact O-CB 3.34Å; L131-C135 PolarHBondContact O-N 3.48Å; L131-C135 PolarHBondContact O-SG 3.28Å; L131-C135 VanDerWaalsContact O-SG 3.41Å; A132-C135 PolarHBondContact O-N 3.27Å; C135-Q137 VanDerWaalsContact C-N 3.31Å; C135-Q137 PolarHBondContact O-N 3.43Å; C135-Y138 PolarHBondContact O-N 3.11Å; C135-K139 WeakPolarHBondContact O-CB 3.39Å; C135-K139 PolarHBondContact O-N 2.99Å; C135-N181 HydrophobicContact CB-CB 3.66Å; C135-I183 HydrophobicContact CB-CG1 4.46Å
136A98.8Very high98.7Very high32 Ų3246.2 Ų46.226%0.26425%0.245SC..Hα-helixtrans-59.9-42.2174.900000111.8A132 E133 K139 K140A132-A136 PolarHBondContact O-N 3.49Å; E133-A136 PolarHBondContact O-N 2.95Å; A136-K139 PolarHBondContact O-N 2.91Å; A136-K140 WeakPolarHBondContact O-CG 3.28Å; A136-K140 PolarHBondContact O-N 2.84Å
137Q98.8Very high98.7Very high85 Ų8542 Ų4240%0.39723%0.225SC..Hα-helixtrans-65.8-49176.3-172.555.948.800111.6E133 R134 C135 K139 K140 D141E133-Q137 WeakPolarHBondContact O-CB 3.36Å; E133-Q137 PolarHBondContact O-N 3.41Å; R134-Q137 PolarHBondContact O-N 2.83Å; C135-Q137 VanDerWaalsContact C-N 3.31Å; C135-Q137 PolarHBondContact O-N 3.43Å; Q137-K139 VanDerWaalsContact C-N 3.25Å; Q137-K139 PolarHBondContact O-N 3.43Å; Q137-K140 WeakPolarHBondContact O-CB 3.49Å; Q137-K140 PolarHBondContact O-N 2.92Å; Q137-K140 VanDerWaalsContact O-N 3.08Å; Q137-D141 VanDerWaalsContact NE2-CG 3.3Å; Q137-D141 PolarHBondContact NE2-OD1 3.28Å; Q137-D141 PolarHBondContact NE2-OD2 3.2Å; Q137-D141 PolarHBondContact O-N 3.18Å
138Y98.8Very high98.7Very high8 Ų841.8 Ų41.83%0.03122%0.222CC..Hα-helixtrans-60.4-34.3177.3-65.3-40.4000112.9H81 L84 Y85 V107 V109 R134 C135 D141 G142 A143H81-Y138 AromaticContact ND1-CE1 3.53Å; H81-Y138 AromaticContact ND1-CZ 3.75Å; H81-Y138 PolarHBondContact ND1-OH 2.74Å; H81-Y138 VanDerWaalsContact ND1-OH 3.11Å; L84-Y138 HydrophobicContact CD2-CD1 3.35Å; L84-Y138 HydrophobicContact CD2-CE1 3.81Å; L84-Y138 HydrophobicContact CD2-CG 4.31Å; Y85-Y138 HydrophobicContact CE2-CE1 4.44Å; V107-Y138 HydrophobicContact CG1-CD2 3.66Å; V107-Y138 HydrophobicContact CG1-CE2 4.26Å; V107-Y138 HydrophobicContact CG1-CG 3.82Å; V107-Y138 HydrophobicContact CG2-CD1 4.35Å; V107-Y138 HydrophobicContact CG2-CD2 4.27Å; V107-Y138 HydrophobicContact CG2-CE1 4.23Å; V107-Y138 HydrophobicContact CG2-CE2 4.14Å; V107-Y138 HydrophobicContact CG2-CG 4.38Å; V109-Y138 HydrophobicContact CG1-CD2 4.1Å; V109-Y138 HydrophobicContact CG1-CE2 3.99Å; R134-Y138 HydrophobicContact CB-CD2 4.33Å; R134-Y138 HydrophobicContact CB-CE2 3.92Å; R134-Y138 PolarHBondContact NE-OH 3.02Å; R134-Y138 PolarHBondContact NH2-OH 3.23Å; R134-Y138 WeakPolarHBondContact O-CB 3.46Å; R134-Y138 WeakPolarHBondContact O-CD2 3.33Å; R134-Y138 PolarHBondContact O-N 3.41Å; C135-Y138 PolarHBondContact O-N 3.11Å; Y138-D141 CarbonylContact O-C 3.49Å; Y138-D141 PolarHBondContact O-N 2.84Å; Y138-G142 PolarHBondContact O-N 3.4Å; Y138-G142 VanDerWaalsContact O-N 3.1Å; Y138-A143 WeakPolarHBondContact O-CB 3.34Å; Y138-A143 PolarHBondContact O-N 3.13Å
139K98.6Very high98.7Very high53 Ų5342.9 Ų42.923%0.2322%0.222CC..Hα-helixtrans-62.7-45.6173.9-174.568.7175.1-168.90111.5E15 C135 A136 Q137 D141 G142 A143 G182 I183E15-K139 WeakPolarHBondContact OE1-CE 3.35Å; E15-K139 IonicContact OE1-NZ 3.34Å; E15-K139 PolarHBondContact OE1-NZ 3.39Å; C135-K139 WeakPolarHBondContact O-CB 3.39Å; C135-K139 PolarHBondContact O-N 2.99Å; A136-K139 PolarHBondContact O-N 2.91Å; Q137-K139 VanDerWaalsContact C-N 3.25Å; Q137-K139 PolarHBondContact O-N 3.43Å; K139-D141 VanDerWaalsContact C-N 3.28Å; K139-D141 PolarHBondContact O-N 2.89Å; K139-G142 PolarHBondContact O-N 3.27Å; K139-G142 VanDerWaalsContact O-N 3.16Å; K139-A143 WeakPolarHBondContact CA-O 3.44Å; K139-A143 WeakPolarHBondContact CD-O 3.42Å; K139-G182 WeakPolarHBondContact CE-O 3.38Å; K139-G182 PolarHBondContact NZ-O 3.04Å; K139-I183 HydrophobicContact CB-CD1 4Å; K139-I183 HydrophobicContact CB-CG1 4.38Å; K139-I183 HydrophobicContact CD-CD1 3.73Å; K139-I183 HydrophobicContact CD-CG1 4.39Å; K139-I183 HydrophobicContact CG-CD1 4.44Å
140K98.6Very high98.7Very high163 Ų16336.3 Ų36.371%0.70919%0.187SC*.Hα-helixtrans-61.5-38.7174.3-68.8172.7-176.4176.50111.6A136 Q137 G142A136-K140 WeakPolarHBondContact O-CG 3.28Å; A136-K140 PolarHBondContact O-N 2.84Å; Q137-K140 WeakPolarHBondContact O-CB 3.49Å; Q137-K140 PolarHBondContact O-N 2.92Å; Q137-K140 VanDerWaalsContact O-N 3.08Å; K140-G142 PolarHBondContact O-N 3.27Å
141D98.6Very high98.7Very high48 Ų4835 Ų3526%0.25717%0.171SC..THydrogen-bonded Turntrans-79.43.3180-58.2-22.4000112.9L84 Y85 Q137 Y138 K139L84-D141 HydrophobicContact CD2-CB 4.49Å; Y85-D141 HydrophobicContact CE1-CB 4.29Å; Y85-D141 WeakPolarHBondContact CE1-OD2 3.32Å; Y85-D141 PolarHBondContact OH-OD2 2.76Å; Q137-D141 VanDerWaalsContact NE2-CG 3.3Å; Q137-D141 PolarHBondContact NE2-OD1 3.28Å; Q137-D141 PolarHBondContact NE2-OD2 3.2Å; Q137-D141 PolarHBondContact O-N 3.18Å; Y138-D141 CarbonylContact O-C 3.49Å; Y138-D141 PolarHBondContact O-N 2.84Å; K139-D141 VanDerWaalsContact C-N 3.28Å; K139-D141 PolarHBondContact O-N 2.89Å
142G98.3Very high98.7Very high6 Ų635.1 Ų35.16%0.06217%0.172CC..THydrogen-bonded Turntrans102.51.9165.700000116.1R99 Y138 K139 K140R99-G142 VanDerWaalsContact NH1-CA 3.32Å; R99-G142 PolarHBondContact NH1-O 3.44Å; R99-G142 VanDerWaalsContact NH1-O 3.13Å; Y138-G142 PolarHBondContact O-N 3.4Å; Y138-G142 VanDerWaalsContact O-N 3.1Å; K139-G142 PolarHBondContact O-N 3.27Å; K139-G142 VanDerWaalsContact O-N 3.16Å; K140-G142 PolarHBondContact O-N 3.27Å
143A98.8Very high98.7Very high0 Ų037.2 Ų37.20%018%0.175CC..  trans-75.3142.5170.600000111V105 V107 Y138 K139 I183V105-A143 HydrophobicContact CG1-CB 4.31Å; V105-A143 CarbonylContact O-C 3.52Å; V105-A143 WeakPolarHBondContact O-CA 3.41Å; V107-A143 HydrophobicContact CB-CB 4.41Å; V107-A143 HydrophobicContact CG1-CB 4.03Å; Y138-A143 WeakPolarHBondContact O-CB 3.34Å; Y138-A143 PolarHBondContact O-N 3.13Å; K139-A143 WeakPolarHBondContact CA-O 3.44Å; K139-A143 WeakPolarHBondContact CD-O 3.42Å; A143-I183 WeakPolarHBondContact O-CD1 3.29Å
144V98.8Very high98.7Very high22 Ų2231.5 Ų31.513%0.13315%0.148CC..  trans-125.3-7.4-179.8-59.30000113.4T19 L104 V105 I183 V184T19-V144 HydrophobicContact CG2-CB 3.94Å; T19-V144 HydrophobicContact CG2-CG2 3.66Å; L104-V144 HydrophobicContact CB-CG2 3.88Å; L104-V144 HydrophobicContact CD1-CG2 4.2Å; L104-V144 HydrophobicContact CD2-CG2 4.05Å; L104-V144 HydrophobicContact CG-CG2 4.25Å; V105-V144 PolarHBondContact O-N 3.28Å; V144-I183 WeakPolarHBondContact O-CA 3.48Å; V144-V184 PolarHBondContact O-N 3.33Å
145F98.9Very high98.6Very high0 Ų031.1 Ų31.10%015%0.154CC..EExtended strand (participates in β ladder)trans-141.1158.9173.772.8-81.2000110.8I23 I30 I78 L104 V105 G106 V107 V184 V186I23-F145 HydrophobicContact CD1-CB 3.75Å; I23-F145 HydrophobicContact CD1-CD1 3.72Å; I23-F145 HydrophobicContact CD1-CD2 4.14Å; I23-F145 HydrophobicContact CD1-CE1 4.28Å; I23-F145 HydrophobicContact CD1-CG 3.64Å; I23-F145 HydrophobicContact CG1-CD1 4.39Å; I30-F145 HydrophobicContact CD1-CE2 4.38Å; I30-F145 HydrophobicContact CG2-CE2 4.44Å; I30-F145 HydrophobicContact CG2-CZ 4.44Å; I78-F145 HydrophobicContact CD1-CE2 4.37Å; I78-F145 HydrophobicContact CG1-CE2 3.69Å; I78-F145 HydrophobicContact CG1-CZ 4.1Å; L104-F145 HydrophobicContact CB-CD1 4.41Å; L104-F145 HydrophobicContact CB-CE1 4.19Å; V105-F145 VanDerWaalsContact O-CD1 3.3Å; V105-F145 WeakPolarHBondContact O-CD1 3.5Å; G106-F145 CarbonylContact C-O 3.43Å; G106-F145 VanDerWaalsContact CA-CD1 3.46Å; G106-F145 WeakPolarHBondContact CA-O 3.38Å; V107-F145 PolarHBondContact N-O 3.28Å; F145-V184 CarbonylContact C-O 3.49Å; F145-V184 WeakPolarHBondContact CA-O 3.5Å; F145-V184 HydrophobicContact CB-CB 3.86Å; F145-V184 HydrophobicContact CB-CG1 4.48Å; F145-V184 VanDerWaalsContact CB-O 3.26Å; F145-V184 WeakPolarHBondContact CB-O 3.37Å; F145-V186 HydrophobicContact CD2-CG2 3.72Å; F145-V186 HydrophobicContact CE2-CG2 4.26Å
146A98.9Very high98.3Very high1 Ų139.3 Ų39.31%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-133.9155-178.200000111.2V107 V109 I183 V184 V186V107-A146 CarbonylContact O-C 3.51Å; V107-A146 WeakPolarHBondContact O-CA 3.18Å; V109-A146 HydrophobicContact CG1-CB 3.81Å; V109-A146 HydrophobicContact CG2-CB 3.96Å; A146-I183 HydrophobicContact CB-CG2 3.42Å; A146-I183 VanDerWaalsContact CB-CG2 3.42Å; A146-V184 PolarHBondContact N-O 3Å; A146-V186 WeakPolarHBondContact O-CB 3.49Å; A146-V186 PolarHBondContact O-N 3.48Å
147K98.9Very high98.1Very high9 Ų941.2 Ų41.24%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-122.2135179-162.8-147.976.7163.10110.6D34 I78 V107 K108 V109 V186 E188D34-K147 WeakPolarHBondContact OD2-CD 3.35Å; D34-K147 WeakPolarHBondContact OD2-CE 3.26Å; D34-K147 IonicContact OD2-NZ 3.26Å; D34-K147 PolarHBondContact OD2-NZ 3.27Å; I78-K147 HydrophobicContact CD1-CB 4.08Å; I78-K147 HydrophobicContact CD1-CD 3.74Å; I78-K147 HydrophobicContact CD1-CG 3.95Å; I78-K147 HydrophobicContact CG2-CB 3.86Å; I78-K147 HydrophobicContact CG2-CD 4.36Å; V107-K147 PolarHBondContact O-N 3.45Å; K108-K147 WeakPolarHBondContact CA-O 3.44Å; V109-K147 WeakPolarHBondContact CG2-O 3.17Å; V109-K147 PolarHBondContact N-O 3.07Å; K147-V186 HydrophobicContact CB-CB 4.45Å; K147-V186 HydrophobicContact CG-CB 4.26Å; K147-V186 HydrophobicContact CG-CG1 4.26Å; K147-E188 WeakPolarHBondContact CD-OE2 3.4Å; K147-E188 WeakPolarHBondContact CE-OE2 3.2Å; K147-E188 IonicContact NZ-OE2 3.32Å; K147-E188 PolarHBondContact NZ-OE2 3.02Å
148W98.8Very high98Very high4 Ų437.5 Ų37.52%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-132.2120.6173.5-175.9-70.2000110.3V109 D110 T125 Q126 G127 L128 L131 V170 L171 C174 V186 E188V109-W148 HydrophobicContact CG2-CE3 4.03Å; D110-W148 HydrophobicContact CB-CB 4.45Å; D110-W148 HydrophobicContact CB-CD2 3.46Å; D110-W148 VanDerWaalsContact CB-CD2 3.46Å; D110-W148 HydrophobicContact CB-CE3 3.62Å; D110-W148 HydrophobicContact CB-CG 3.86Å; D110-W148 HydrophobicContact CB-CH2 4.41Å; D110-W148 HydrophobicContact CB-CZ2 4.27Å; D110-W148 HydrophobicContact CB-CZ3 4.1Å; T125-W148 HydrophobicContact CG2-CD2 4.4Å; T125-W148 VanDerWaalsContact CG2-CE2 3.5Å; T125-W148 HydrophobicContact CG2-CZ2 3.68Å; T125-W148 VanDerWaalsContact CG2-NE1 3.3Å; T125-W148 WeakPolarHBondContact O-CZ2 3.44Å; Q126-W148 VanDerWaalsContact C-CH2 3.42Å; Q126-W148 WeakPolarHBondContact O-CH2 3.34Å; G127-W148 VanDerWaalsContact C-CH2 3.47Å; L128-W148 HydrophobicContact CD2-CH2 3.81Å; L128-W148 HydrophobicContact CD2-CZ2 4.46Å; L128-W148 HydrophobicContact CD2-CZ3 4.06Å; L128-W148 HydrophobicContact CG-CH2 4Å; L131-W148 HydrophobicContact CD2-CZ3 4.12Å; W148-V170 HydrophobicContact CH2-CG2 4.46Å; W148-V170 HydrophobicContact CZ2-CG2 3.72Å; W148-L171 HydrophobicContact CB-CD2 4.42Å; W148-L171 HydrophobicContact CG-CD2 4.3Å; W148-C174 HydrophobicContact CB-CB 4.45Å; W148-C174 HydrophobicContact CD2-CB 3.9Å; W148-C174 HydrophobicContact CE3-CB 3.78Å; W148-C174 HydrophobicContact CG-CB 4.21Å; W148-C174 HydrophobicContact CZ3-CB 4.31Å; W148-V186 PolarHBondContact N-O 3.22Å; W148-E188 WeakPolarHBondContact O-CB 3.33Å; W148-E188 PolarHBondContact O-N 3.18Å
149R98.8Very high98Very high70 Ų7038 Ų3826%0.26420%0.196SC..EExtended strand (participates in β ladder)trans-100.2120.7-177-175.4174.8174.8-93.1-2.8112.7D110 T125 V151 E188 E190D110-R149 PolarHBondContact OD2-N 3.29Å; D110-R149 VanDerWaalsContact OD2-N 3.12Å; T125-R149 WeakPolarHBondContact CB-O 3.31Å; T125-R149 VanDerWaalsContact CG2-O 3.24Å; T125-R149 WeakPolarHBondContact CG2-O 3.42Å; T125-R149 PolarHBondContact OG1-O 3.42Å; R149-V151 HydrophobicContact CG-CG2 4.33Å; R149-E188 HydrophobicContact CB-CG 4.33Å; R149-E188 WeakPolarHBondContact CB-OE2 3.38Å; R149-E188 HydrophobicContact CG-CG 4.08Å; R149-E190 IonicContact CZ-OE2 2.68Å; R149-E190 IonicContact NE-OE2 3.72Å; R149-E190 PolarHBondContact NE-OE2 3.03Å; R149-E190 IonicContact NH2-OE1 2.98Å; R149-E190 IonicContact NH2-OE2 3.5Å; R149-E190 PolarHBondContact NH2-OE2 3.46Å
150C98.8Very high97.9Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-102.9153.6163.5-78.60000110.4T125 N167 L171 E188 E190T125-C150 WeakPolarHBondContact OG1-CA 3.29Å; C150-N167 HydrophobicContact CB-CB 3.96Å; C150-N167 WeakPolarHBondContact CB-OD1 3.44Å; C150-N167 PolarHBondContact SG-OD1 3.33Å; C150-L171 HydrophobicContact CB-CD1 4.07Å; C150-L171 HydrophobicContact CB-CD2 4.46Å; C150-L171 HydrophobicContact CB-CG 4.27Å; C150-E188 PolarHBondContact N-O 3.24Å; C150-E190 PolarHBondContact O-N 3.42Å
151V98.5Very high97.9Very high10 Ų1037.6 Ų37.66%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-132125.3-175-1740000110.3V113 T123 R149 E190 L192V113-V151 HydrophobicContact CG1-CB 4.16Å; V113-V151 HydrophobicContact CG1-CG2 3.67Å; T123-V151 PolarHBondContact OG1-O 3.21Å; R149-V151 HydrophobicContact CG-CG2 4.33Å; V151-E190 CarbonylContact C-O 3.58Å; V151-E190 WeakPolarHBondContact CA-O 3.48Å; V151-L192 HydrophobicContact CG1-CD1 3.6Å; V151-L192 HydrophobicContact CG1-CD2 4.03Å; V151-L192 HydrophobicContact CG1-CG 3.64Å
152L98.8Very high97.9Very high5 Ų539.7 Ų39.73%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-122.7155.4175.6-63.6131.2000109.1P159 A163 I164 E190 I191 L192 V209L152-P159 HydrophobicContact CB-CB 4.4Å; L152-P159 HydrophobicContact CD2-CB 3.77Å; L152-A163 HydrophobicContact CD2-CB 4.26Å; L152-I164 HydrophobicContact CD2-CG1 4.21Å; L152-E190 PolarHBondContact N-O 3.42Å; L152-I191 HydrophobicContact CB-CG1 4.16Å; L152-I191 HydrophobicContact CD1-CG1 4.31Å; L152-L192 PolarHBondContact O-N 3.07Å; L152-V209 HydrophobicContact CD1-CG1 3.69Å; L152-V209 HydrophobicContact CD1-CG2 4.08Å; L152-V209 HydrophobicContact CD2-CG2 4.45Å
153K97.9Very high98Very high80 Ų8039.5 Ų39.535%0.34821%0.206SC..  trans-125.5148.8-179.5-71174.3-175.8168.70110G121 N158 P159 L192G121-K153 PolarHBondContact O-NZ 3Å; K153-N158 HydrophobicContact CB-CB 4.42Å; K153-N158 CarbonylContact O-C 3.24Å; K153-N158 VanDerWaalsContact O-C 3.24Å; K153-N158 VanDerWaalsContact O-CB 3.25Å; K153-N158 WeakPolarHBondContact O-CB 3.38Å; K153-P159 VanDerWaalsContact O-CD 3.27Å; K153-P159 WeakPolarHBondContact O-CD 3.38Å; K153-P159 VanDerWaalsContact O-N 3.11Å; K153-L192 HydrophobicContact CG-CD1 3.96Å
154I98.5Very high98Very high12 Ų1240.9 Ų40.96%0.06221%0.213CC..  trans-101.4125.4169.4-61.5175.5000108.1I191 H197 R201 C202 V205I154-I191 HydrophobicContact CD1-CG2 3.66Å; I154-I191 HydrophobicContact CG1-CG2 3.62Å; I154-H197 HydrophobicContact CG2-CB 3.84Å; I154-R201 HydrophobicContact CG2-CG 3.85Å; I154-C202 HydrophobicContact CD1-CB 4.22Å; I154-V205 HydrophobicContact CD1-CB 4.05Å; I154-V205 HydrophobicContact CD1-CG1 4.29Å; I154-V205 HydrophobicContact CD1-CG2 4.22Å; I154-V205 HydrophobicContact CG1-CB 4.21Å; I154-V205 HydrophobicContact CG1-CG1 4.04Å; I154-V205 HydrophobicContact CG1-CG2 4.14Å
155S96.3Very high98Very high45 Ų4543.5 Ų43.532%0.31523%0.23SC..SBendtrans-152.6-169.3167.968.40000108.9S157 N158 R201S155-S157 PolarHBondContact O-N 2.85Å; S155-S157 PolarHBondContact OG-N 2.95Å; S155-N158 PolarHBondContact N-O 2.79Å; S155-N158 VanDerWaalsContact O-O 3.08Å; S155-N158 VanDerWaalsContact OG-CB 3.29Å; S155-N158 WeakPolarHBondContact OG-CB 3.46Å; S155-N158 PolarHBondContact OG-N 3.41Å; S155-N158 VanDerWaalsContact OG-N 3.14Å; S155-N158 PolarHBondContact OG-ND2 3.02Å; S155-R201 PolarHBondContact O-NH2 2.96Å
156D93.4Very high98Very high173 Ų17346.5 Ų46.593%0.92524%0.244SC*.SBendtrans-59.2-32.1174.7-61.8-22.6000112.8
157S93.4Very high98Very high71 Ų7146.5 Ų46.550%0.49724%0.244SC..SBendtrans-115-10.5-176.156.10000114.5S155S155-S157 PolarHBondContact O-N 2.85Å; S155-S157 PolarHBondContact OG-N 2.95Å
158N97.1Very high98Very high8 Ų846.3 Ų46.34%0.04324%0.243CC..  trans-114152.2-177.2-61.6-28.1000112.2C120 E122 K153 S155C120-N158 PolarHBondContact O-ND2 2.85Å; E122-N158 VanDerWaalsContact CG-OD1 3.29Å; E122-N158 WeakPolarHBondContact CG-OD1 3.37Å; E122-N158 PolarHBondContact OE1-OD1 2.88Å; K153-N158 HydrophobicContact CB-CB 4.42Å; K153-N158 CarbonylContact O-C 3.24Å; K153-N158 VanDerWaalsContact O-C 3.24Å; K153-N158 VanDerWaalsContact O-CB 3.25Å; K153-N158 WeakPolarHBondContact O-CB 3.38Å; S155-N158 PolarHBondContact N-O 2.79Å; S155-N158 VanDerWaalsContact O-O 3.08Å; S155-N158 VanDerWaalsContact OG-CB 3.29Å; S155-N158 WeakPolarHBondContact OG-CB 3.46Å; S155-N158 PolarHBondContact OG-N 3.41Å; S155-N158 VanDerWaalsContact OG-N 3.14Å; S155-N158 PolarHBondContact OG-ND2 3.02Å
159P98.3Very high98Very high19 Ų1949.2 Ų49.212%0.12326%0.259CS..SBendcis-79.2137.3-4.830-31.3000111.5E122 L152 K153 I164 V205 V209E122-P159 VanDerWaalsContact OE1-CA 3.25Å; E122-P159 WeakPolarHBondContact OE1-CA 3.49Å; L152-P159 HydrophobicContact CB-CB 4.4Å; L152-P159 HydrophobicContact CD2-CB 3.77Å; K153-P159 VanDerWaalsContact O-CD 3.27Å; K153-P159 WeakPolarHBondContact O-CD 3.38Å; K153-P159 VanDerWaalsContact O-N 3.11Å; P159-I164 HydrophobicContact CB-CD1 4.39Å; P159-I164 HydrophobicContact CB-CG1 4Å; P159-I164 HydrophobicContact CG-CD1 4.08Å; P159-I164 HydrophobicContact CG-CG1 4.12Å; P159-V205 HydrophobicContact CG-CG1 3.49Å; P159-V205 VanDerWaalsContact CG-CG1 3.49Å; P159-V209 HydrophobicContact CG-CG2 4.46Å
160S98.6Very high98Very high31 Ų3146.2 Ų46.222%0.21725%0.249CC..  trans-71.9161176.776.60000111.4E122 L162 A163 I164E122-S160 PolarHBondContact OE1-N 3.35Å; E122-S160 WeakPolarHBondContact OE2-CB 3.31Å; E122-S160 PolarHBondContact OE2-OG 2.88Å; S160-L162 PolarHBondContact O-N 3.23Å; S160-L162 PolarHBondContact OG-N 2.91Å; S160-A163 PolarHBondContact O-N 2.95Å; S160-A163 PolarHBondContact OG-N 3.34Å; S160-A163 VanDerWaalsContact OG-N 3.15Å; S160-I164 WeakPolarHBondContact O-CG1 3.47Å; S160-I164 PolarHBondContact O-N 3.06Å
161K98.5Very high98Very high176 Ų17646.2 Ų46.277%0.76525%0.249SC*.Hα-helixtrans-56.8-36.3172.6-176178.2178-177.50112T165K161-T165 VanDerWaalsContact O-CB 3.31Å; K161-T165 WeakPolarHBondContact O-CB 3.29Å; K161-T165 PolarHBondContact O-N 3.1Å; K161-T165 PolarHBondContact O-OG1 2.95Å
162L98.8Very high98Very high92 Ų9245.8 Ų45.848%0.48225%0.246SC..Hα-helixtrans-63.1-52177.7175.458.5000110.4T119 S160 I164 T165 E166T119-L162 HydrophobicContact CG2-CD2 3.84Å; S160-L162 PolarHBondContact O-N 3.23Å; S160-L162 PolarHBondContact OG-N 2.91Å; L162-I164 PolarHBondContact O-N 3.4Å; L162-T165 PolarHBondContact O-N 3.47Å; L162-E166 VanDerWaalsContact O-CB 3.26Å; L162-E166 WeakPolarHBondContact O-CB 3.3Å; L162-E166 PolarHBondContact O-N 3.49Å
163A98.8Very high98Very high1 Ų150.7 Ų50.71%0.00826%0.264CS..Hα-helixtrans-62-41.9-179.400000112.6L116 E122 L152 S160 N167L116-A163 HydrophobicContact CD1-CB 4.08Å; E122-A163 HydrophobicContact CB-CB 4.05Å; E122-A163 VanDerWaalsContact CD-CB 3.45Å; E122-A163 HydrophobicContact CG-CB 4.35Å; E122-A163 WeakPolarHBondContact OE1-CB 3.36Å; L152-A163 HydrophobicContact CD2-CB 4.26Å; S160-A163 PolarHBondContact O-N 2.95Å; S160-A163 PolarHBondContact OG-N 3.34Å; S160-A163 VanDerWaalsContact OG-N 3.15Å; A163-N167 WeakPolarHBondContact O-CB 3.5Å; A163-N167 PolarHBondContact O-N 3.05Å; A163-N167 PolarHBondContact O-ND2 3.14Å
164I98.9Very high98.1Very high29 Ų2947 Ų4715%0.14925%0.249CC..Hα-helixtrans-60.9-50175.7-63.6174.1000110.7L152 P159 S160 L162 A168 V209 A212L152-I164 HydrophobicContact CD2-CG1 4.21Å; P159-I164 HydrophobicContact CB-CD1 4.39Å; P159-I164 HydrophobicContact CB-CG1 4Å; P159-I164 HydrophobicContact CG-CD1 4.08Å; P159-I164 HydrophobicContact CG-CG1 4.12Å; S160-I164 WeakPolarHBondContact O-CG1 3.47Å; S160-I164 PolarHBondContact O-N 3.06Å; L162-I164 PolarHBondContact O-N 3.4Å; I164-A168 VanDerWaalsContact O-CB 3.24Å; I164-A168 WeakPolarHBondContact O-CB 3.47Å; I164-A168 PolarHBondContact O-N 3.38Å; I164-V209 HydrophobicContact CD1-CG2 4.41Å; I164-V209 HydrophobicContact CG1-CG2 4.15Å; I164-A212 HydrophobicContact CG2-CB 3.36Å
165T98.9Very high98.1Very high78 Ų7846.6 Ų46.648%0.47925%0.247SC..Hα-helixtrans-63.7-47.3-175.7-56.20000111.3K161 L162 A168 N169K161-T165 VanDerWaalsContact O-CB 3.31Å; K161-T165 WeakPolarHBondContact O-CB 3.29Å; K161-T165 PolarHBondContact O-N 3.1Å; K161-T165 PolarHBondContact O-OG1 2.95Å; L162-T165 PolarHBondContact O-N 3.47Å; T165-A168 PolarHBondContact O-N 3.46Å; T165-N169 WeakPolarHBondContact O-CB 3.35Å; T165-N169 PolarHBondContact O-N 3.01Å
166E98.9Very high98.2Very high62 Ų6245.8 Ų45.829%0.2924%0.241SC..Hα-helixtrans-67.2-45.5-176.2173.453-153.400111.7L116 T124 L162 A168 N169 V170L116-E166 HydrophobicContact CD2-CG 4.06Å; T124-E166 HydrophobicContact CG2-CG 4.16Å; T124-E166 WeakPolarHBondContact OG1-CG 3.35Å; T124-E166 PolarHBondContact OG1-OE1 3.01Å; T124-E166 VanDerWaalsContact OG1-OE1 3.1Å; L162-E166 VanDerWaalsContact O-CB 3.26Å; L162-E166 WeakPolarHBondContact O-CB 3.3Å; L162-E166 PolarHBondContact O-N 3.49Å; E166-A168 PolarHBondContact O-N 3.13Å; E166-N169 PolarHBondContact O-N 3.09Å; E166-V170 PolarHBondContact O-N 3.35Å
167N98.9Very high98.5Very high2 Ų238.8 Ų38.81%0.01120%0.203CC..Hα-helixtrans-66.9-37.7177.4-76.4-84.3000112.3T123 C150 A163 V170 L171T123-N167 PolarHBondContact O-ND2 2.95Å; C150-N167 HydrophobicContact CB-CB 3.96Å; C150-N167 WeakPolarHBondContact CB-OD1 3.44Å; C150-N167 PolarHBondContact SG-OD1 3.33Å; A163-N167 WeakPolarHBondContact O-CB 3.5Å; A163-N167 PolarHBondContact O-N 3.05Å; A163-N167 PolarHBondContact O-ND2 3.14Å; N167-V170 WeakPolarHBondContact O-CG1 3.3Å; N167-L171 WeakPolarHBondContact O-CB 3.35Å; N167-L171 WeakPolarHBondContact O-CD1 3.49Å; N167-L171 VanDerWaalsContact O-CG 3.25Å; N167-L171 WeakPolarHBondContact O-CG 3.36Å; N167-L171 PolarHBondContact O-N 3.31Å; N167-L171 VanDerWaalsContact O-N 3.11Å
168A98.9Very high98.7Very high4 Ų435.4 Ų35.43%0.03318%0.179CC..Hα-helixtrans-62.3-44173.800000111.5I164 T165 E166 A172 A212 V213 A216I164-A168 VanDerWaalsContact O-CB 3.24Å; I164-A168 WeakPolarHBondContact O-CB 3.47Å; I164-A168 PolarHBondContact O-N 3.38Å; T165-A168 PolarHBondContact O-N 3.46Å; E166-A168 PolarHBondContact O-N 3.13Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.29Å; A168-A172 VanDerWaalsContact O-N 3.11Å; A168-A212 HydrophobicContact CB-CB 4.23Å; A168-V213 HydrophobicContact CB-CG2 4.23Å; A168-A216 HydrophobicContact CB-CB 3.93Å; A168-A216 WeakPolarHBondContact O-CB 3.44Å
169N98.9Very high98.8Very high65 Ų6535.2 Ų35.235%0.34818%0.178SC..Hα-helixtrans-64.9-45.5179.6-174.863.5000112.3T165 E166 L171 A172 R173 H220T165-N169 WeakPolarHBondContact O-CB 3.35Å; T165-N169 PolarHBondContact O-N 3.01Å; E166-N169 PolarHBondContact O-N 3.09Å; N169-L171 PolarHBondContact O-N 2.86Å; N169-A172 PolarHBondContact O-N 2.9Å; N169-R173 WeakPolarHBondContact O-CG 3.35Å; N169-R173 PolarHBondContact O-N 3.23Å; N169-H220 PolarHBondContact OD1-CE1 3.24Å; N169-H220 PolarHBondContact OD1-NE2 3.49Å
170V98.9Very high98.9Very high7 Ų738.5 Ų38.54%0.04219%0.192CC..Hα-helixtrans-67.9-35.7-179.878.80000112.4L128 W148 E166 N167 A172 R173 C174L128-V170 HydrophobicContact CD1-CG2 3.86Å; L128-V170 HydrophobicContact CD2-CG2 4.36Å; L128-V170 HydrophobicContact CG-CG2 4.06Å; W148-V170 HydrophobicContact CH2-CG2 4.46Å; W148-V170 HydrophobicContact CZ2-CG2 3.72Å; E166-V170 PolarHBondContact O-N 3.35Å; N167-V170 WeakPolarHBondContact O-CG1 3.3Å; V170-A172 VanDerWaalsContact C-N 3.33Å; V170-A172 PolarHBondContact O-N 3.02Å; V170-R173 PolarHBondContact O-N 2.78Å; V170-C174 WeakPolarHBondContact O-CB 3.46Å; V170-C174 PolarHBondContact O-N 2.68Å
171L98.9Very high98.9Very high1 Ų139 Ų391%0.00519%0.192CC..Hα-helixtrans-61.4-41.9172.4-77.3167.4000111.5W148 C150 N167 N169 C174 S175 I187 P189 V213 M217W148-L171 HydrophobicContact CB-CD2 4.42Å; W148-L171 HydrophobicContact CG-CD2 4.3Å; C150-L171 HydrophobicContact CB-CD1 4.07Å; C150-L171 HydrophobicContact CB-CD2 4.46Å; C150-L171 HydrophobicContact CB-CG 4.27Å; N167-L171 WeakPolarHBondContact O-CB 3.35Å; N167-L171 WeakPolarHBondContact O-CD1 3.49Å; N167-L171 VanDerWaalsContact O-CG 3.25Å; N167-L171 WeakPolarHBondContact O-CG 3.36Å; N167-L171 PolarHBondContact O-N 3.31Å; N167-L171 VanDerWaalsContact O-N 3.11Å; N169-L171 PolarHBondContact O-N 2.86Å; L171-C174 PolarHBondContact O-N 3.26Å; L171-S175 WeakPolarHBondContact O-CB 3.47Å; L171-S175 PolarHBondContact O-N 3.39Å; L171-S175 PolarHBondContact O-OG 3.2Å; L171-I187 HydrophobicContact CB-CG2 4.31Å; L171-I187 HydrophobicContact CD1-CG2 4.09Å; L171-I187 HydrophobicContact CD2-CG2 4.1Å; L171-I187 HydrophobicContact CG-CG2 4.41Å; L171-P189 HydrophobicContact CD1-CB 3.85Å; L171-V213 HydrophobicContact CD1-CG2 4.23Å; L171-M217 HydrophobicContact CB-CE 3.69Å
172A98.9Very high98.9Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-67.7-41.8178.700000112.1A168 N169 V170 S175 S176 A216 M217 H220A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.29Å; A168-A172 VanDerWaalsContact O-N 3.11Å; N169-A172 PolarHBondContact O-N 2.9Å; V170-A172 VanDerWaalsContact C-N 3.33Å; V170-A172 PolarHBondContact O-N 3.02Å; A172-S175 PolarHBondContact O-N 3.19Å; A172-S176 WeakPolarHBondContact O-CB 3.19Å; A172-S176 PolarHBondContact O-N 3Å; A172-A216 HydrophobicContact CB-CB 3.89Å; A172-A216 WeakPolarHBondContact CB-O 3.31Å; A172-M217 HydrophobicContact CB-CE 4.13Å; A172-M217 HydrophobicContact CB-SD 4.05Å; A172-H220 HydrophobicContact CB-CB 3.9Å
173R98.9Very high98.9Very high109 Ų10926.6 Ų26.641%0.41114%0.137SC..Hα-helixtrans-58.5-48.9172.5-72.2-66.6-60.3158.6-1.5112.1L128 N169 V170 S175 S176 I177 H220L128-R173 HydrophobicContact CD1-CB 3.71Å; L128-R173 HydrophobicContact CD1-CG 4.22Å; L128-R173 HydrophobicContact CD2-CB 4.05Å; N169-R173 WeakPolarHBondContact O-CG 3.35Å; N169-R173 PolarHBondContact O-N 3.23Å; V170-R173 PolarHBondContact O-N 2.78Å; R173-S175 VanDerWaalsContact C-N 3.34Å; R173-S175 PolarHBondContact O-N 3.47Å; R173-S176 PolarHBondContact O-N 2.84Å; R173-I177 WeakPolarHBondContact O-CG1 3.47Å; R173-I177 PolarHBondContact O-N 2.98Å; R173-I177 VanDerWaalsContact O-N 3.15Å; R173-H220 WeakPolarHBondContact CD-CE1 3.09Å; R173-H220 WeakPolarHBondContact CD-ND1 3.38Å
174C98.8Very high98.9Very high3 Ų326.6 Ų26.62%0.0214%0.136CC..Hα-helixtrans-59.1-46.61761780000111.1L128 L131 W148 V170 L171 S176 I177 C178L128-C174 HydrophobicContact CD2-CB 4.07Å; L131-C174 HydrophobicContact CD2-CB 4.25Å; W148-C174 HydrophobicContact CB-CB 4.45Å; W148-C174 HydrophobicContact CD2-CB 3.9Å; W148-C174 HydrophobicContact CE3-CB 3.78Å; W148-C174 HydrophobicContact CG-CB 4.21Å; W148-C174 HydrophobicContact CZ3-CB 4.31Å; V170-C174 WeakPolarHBondContact O-CB 3.46Å; V170-C174 PolarHBondContact O-N 2.68Å; L171-C174 PolarHBondContact O-N 3.26Å; C174-S176 PolarHBondContact O-N 3.44Å; C174-I177 PolarHBondContact O-N 2.72Å; C174-C178 PolarHBondContact O-N 3.32Å; C174-C178 PolarHBondContact O-SG 2.77Å
175S98.9Very high98.9Very high3 Ų325.4 Ų25.42%0.02113%0.13CC..Hα-helixtrans-62.2-43.7-177.1-60.60000112.2L171 A172 R173 C178 Q179L171-S175 WeakPolarHBondContact O-CB 3.47Å; L171-S175 PolarHBondContact O-N 3.39Å; L171-S175 PolarHBondContact O-OG 3.2Å; A172-S175 PolarHBondContact O-N 3.19Å; R173-S175 VanDerWaalsContact C-N 3.34Å; R173-S175 PolarHBondContact O-N 3.47Å; S175-C178 PolarHBondContact O-N 2.98Å; S175-Q179 WeakPolarHBondContact O-CG 3.49Å; S175-Q179 PolarHBondContact O-N 2.92Å
176S98.9Very high98.9Very high27 Ų2721.8 Ų21.819%0.18911%0.108CC..Hα-helixtrans-58.4-48.5174.6-175.30000111.5A172 R173 C174 C178 Q179 Q180A172-S176 WeakPolarHBondContact O-CB 3.19Å; A172-S176 PolarHBondContact O-N 3Å; R173-S176 PolarHBondContact O-N 2.84Å; C174-S176 PolarHBondContact O-N 3.44Å; S176-C178 PolarHBondContact O-N 2.92Å; S176-Q179 PolarHBondContact O-N 2.61Å; S176-Q180 WeakPolarHBondContact O-CG 3.4Å; S176-Q180 PolarHBondContact O-N 3.02Å; S176-Q180 VanDerWaalsContact O-N 3.1Å
177I98.9Very high98.9Very high26 Ų2618.9 Ų18.913%0.13310%0.095CC..Hα-helixtrans-63.3-42.2178.9-66.1165.3000111.7L128 L131 A132 R173 C174 Q180 N181L128-I177 HydrophobicContact CD2-CD1 4.29Å; L131-I177 HydrophobicContact CB-CD1 4.45Å; L131-I177 HydrophobicContact CB-CG2 4.09Å; L131-I177 HydrophobicContact CD2-CB 4.16Å; L131-I177 HydrophobicContact CD2-CD1 4.13Å; L131-I177 HydrophobicContact CD2-CG2 4.02Å; L131-I177 HydrophobicContact CG-CB 4.45Å; L131-I177 HydrophobicContact CG-CG2 3.76Å; A132-I177 HydrophobicContact CB-CG2 3.94Å; R173-I177 WeakPolarHBondContact O-CG1 3.47Å; R173-I177 PolarHBondContact O-N 2.98Å; R173-I177 VanDerWaalsContact O-N 3.15Å; C174-I177 PolarHBondContact O-N 2.72Å; I177-Q180 PolarHBondContact O-N 2.91Å; I177-N181 PolarHBondContact O-N 3.42Å; I177-N181 PolarHBondContact O-ND2 3.38Å
178C98.9Very high98.9Very high0 Ų019.1 Ų19.10%010%0.096CC..Hα-helixtrans-59.6-47.9176.4-69.70000111.4C174 S175 S176 Q180 N181 G182 I183 P185C174-C178 PolarHBondContact O-N 3.32Å; C174-C178 PolarHBondContact O-SG 2.77Å; S175-C178 PolarHBondContact O-N 2.98Å; S176-C178 PolarHBondContact O-N 2.92Å; C178-Q180 PolarHBondContact O-N 3.32Å; C178-N181 CarbonylContact O-C 3.56Å; C178-N181 PolarHBondContact O-N 3.19Å; C178-G182 PolarHBondContact O-N 2.87Å; C178-I183 CarbonylContact C-O 3.54Å; C178-I183 HydrophobicContact CB-CB 4.14Å; C178-I183 HydrophobicContact CB-CG2 4.05Å; C178-I183 WeakPolarHBondContact CB-O 3.46Å; C178-I183 WeakPolarHBondContact O-CB 3.46Å; C178-I183 PolarHBondContact O-N 3.32Å; C178-P185 HydrophobicContact CB-CB 4.1Å; C178-P185 HydrophobicContact CB-CG 4.49Å
179Q98.9Very high98.9Very high4 Ų419 Ų192%0.0199%0.094CC..Hα-helixtrans-64.8-36.8-177.8-71.2-173.6-22.500112.9L8 L16 S175 S176 N181 G182 I183 P185 Y223 G226L8-Q179 HydrophobicContact CD1-CB 4.2Å; L8-Q179 HydrophobicContact CD2-CB 4.29Å; L16-Q179 HydrophobicContact CD1-CB 3.88Å; L16-Q179 HydrophobicContact CD1-CG 3.89Å; L16-Q179 HydrophobicContact CD2-CG 4.47Å; S175-Q179 WeakPolarHBondContact O-CG 3.49Å; S175-Q179 PolarHBondContact O-N 2.92Å; S176-Q179 PolarHBondContact O-N 2.61Å; Q179-N181 PolarHBondContact O-N 2.8Å; Q179-N181 VanDerWaalsContact O-N 3.16Å; Q179-G182 PolarHBondContact O-N 3.05Å; Q179-G182 VanDerWaalsContact O-N 3.11Å; Q179-I183 PolarHBondContact N-O 3.42Å; Q179-P185 HydrophobicContact CG-CG 4.13Å; Q179-Y223 PolarHBondContact NE2-O 2.92Å; Q179-G226 PolarHBondContact NE2-O 3.22Å
180Q98.8Very high98.9Very high89 Ų8916.7 Ų16.742%0.4168%0.082SC..Hα-helixtrans-58.8-25.5173.1-71.4-55.8-57.800113.3A7 S176 I177 C178A7-Q180 PolarHBondContact O-NE2 2.99Å; S176-Q180 WeakPolarHBondContact O-CG 3.4Å; S176-Q180 PolarHBondContact O-N 3.02Å; S176-Q180 VanDerWaalsContact O-N 3.1Å; I177-Q180 PolarHBondContact O-N 2.91Å; C178-Q180 PolarHBondContact O-N 3.32Å
181N98.8Very high98.9Very high41 Ų4116.6 Ų16.622%0.2198%0.081CC..THydrogen-bonded Turntrans-103.816.1-178.9-69.3-81.8000112.9A132 C135 I177 C178 Q179 I183A132-N181 PolarHBondContact O-OD1 2.89Å; C135-N181 HydrophobicContact CB-CB 3.66Å; I177-N181 PolarHBondContact O-N 3.42Å; I177-N181 PolarHBondContact O-ND2 3.38Å; C178-N181 CarbonylContact O-C 3.56Å; C178-N181 PolarHBondContact O-N 3.19Å; Q179-N181 PolarHBondContact O-N 2.8Å; Q179-N181 VanDerWaalsContact O-N 3.16Å; N181-I183 VanDerWaalsContact C-N 3.27Å; N181-I183 PolarHBondContact O-N 3.24Å
182G98.7Very high98.8Very high7 Ų717.9 Ų17.97%0.0729%0.088CC..THydrogen-bonded Turntrans66.527.1178.900000113.6K139 C178 Q179K139-G182 WeakPolarHBondContact CE-O 3.38Å; K139-G182 PolarHBondContact NZ-O 3.04Å; C178-G182 PolarHBondContact O-N 2.87Å; Q179-G182 PolarHBondContact O-N 3.05Å; Q179-G182 VanDerWaalsContact O-N 3.11Å
183I98.9Very high98.7Very high1 Ų118.7 Ų18.71%0.0059%0.093CC..  trans-111.3125.4179-66-68.8000109C135 K139 A143 V144 A146 C178 Q179 N181 P185C135-I183 HydrophobicContact CB-CG1 4.46Å; K139-I183 HydrophobicContact CB-CD1 4Å; K139-I183 HydrophobicContact CB-CG1 4.38Å; K139-I183 HydrophobicContact CD-CD1 3.73Å; K139-I183 HydrophobicContact CD-CG1 4.39Å; K139-I183 HydrophobicContact CG-CD1 4.44Å; A143-I183 WeakPolarHBondContact O-CD1 3.29Å; V144-I183 WeakPolarHBondContact O-CA 3.48Å; A146-I183 HydrophobicContact CB-CG2 3.42Å; A146-I183 VanDerWaalsContact CB-CG2 3.42Å; C178-I183 CarbonylContact C-O 3.54Å; C178-I183 HydrophobicContact CB-CB 4.14Å; C178-I183 HydrophobicContact CB-CG2 4.05Å; C178-I183 WeakPolarHBondContact CB-O 3.46Å; C178-I183 WeakPolarHBondContact O-CB 3.46Å; C178-I183 PolarHBondContact O-N 3.32Å; Q179-I183 PolarHBondContact N-O 3.42Å; N181-I183 VanDerWaalsContact C-N 3.27Å; N181-I183 PolarHBondContact O-N 3.24Å; I183-P185 WeakPolarHBondContact O-CD 3.49Å
184V98.9Very high98.6Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-71.2120.5174.4174.20000110L16 T19 A20 V144 F145 A146 L228L16-V184 HydrophobicContact CB-CG2 4.34Å; L16-V184 HydrophobicContact CD2-CG2 3.89Å; L16-V184 VanDerWaalsContact O-CG2 3.24Å; L16-V184 WeakPolarHBondContact O-CG2 3.49Å; T19-V184 HydrophobicContact CG2-CB 4.44Å; T19-V184 HydrophobicContact CG2-CG2 3.63Å; A20-V184 HydrophobicContact CB-CG1 4.06Å; A20-V184 HydrophobicContact CB-CG2 4.42Å; V144-V184 PolarHBondContact O-N 3.33Å; F145-V184 CarbonylContact C-O 3.49Å; F145-V184 WeakPolarHBondContact CA-O 3.5Å; F145-V184 HydrophobicContact CB-CB 3.86Å; F145-V184 HydrophobicContact CB-CG1 4.48Å; F145-V184 VanDerWaalsContact CB-O 3.26Å; F145-V184 WeakPolarHBondContact CB-O 3.37Å; A146-V184 PolarHBondContact N-O 3Å; V184-L228 HydrophobicContact CG1-CG 4.45Å
185P98.9Very high98.5Very high4 Ų419.2 Ų19.23%0.02611%0.111CC..EExtended strand (participates in β ladder)trans-80.2129.7174.631.1-33.2000112C178 Q179 I183 G226 L228C178-P185 HydrophobicContact CB-CB 4.1Å; C178-P185 HydrophobicContact CB-CG 4.49Å; Q179-P185 HydrophobicContact CG-CG 4.13Å; I183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-G226 WeakPolarHBondContact CD-O 3.39Å; P185-L228 PolarHBondContact O-N 3.06Å
186V98.9Very high98.5Very high2 Ų224.8 Ų24.81%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-93.6106.7164.2-178.90000107.7F145 A146 K147 W148 L228 K230F145-V186 HydrophobicContact CD2-CG2 3.72Å; F145-V186 HydrophobicContact CE2-CG2 4.26Å; A146-V186 WeakPolarHBondContact O-CB 3.49Å; A146-V186 PolarHBondContact O-N 3.48Å; K147-V186 HydrophobicContact CB-CB 4.45Å; K147-V186 HydrophobicContact CG-CB 4.26Å; K147-V186 HydrophobicContact CG-CG1 4.26Å; W148-V186 PolarHBondContact N-O 3.22Å; V186-L228 WeakPolarHBondContact CA-O 3.36Å; V186-L228 HydrophobicContact CG2-CB 4.22Å; V186-L228 HydrophobicContact CG2-CD1 4.29Å; V186-K230 HydrophobicContact CG1-CB 3.58Å; V186-K230 HydrophobicContact CG1-CD 4.11Å; V186-K230 HydrophobicContact CG1-CG 4.49Å
187I98.9Very high98.5Very high1 Ų124.2 Ų24.21%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-85.4109-174-58162.5000108.1L171 P189 V213 M217 L228 L229 K230L171-I187 HydrophobicContact CB-CG2 4.31Å; L171-I187 HydrophobicContact CD1-CG2 4.09Å; L171-I187 HydrophobicContact CD2-CG2 4.1Å; L171-I187 HydrophobicContact CG-CG2 4.41Å; I187-P189 WeakPolarHBondContact O-CD 3.38Å; I187-V213 HydrophobicContact CG2-CG1 3.92Å; I187-M217 HydrophobicContact CD1-CE 3.75Å; I187-M217 HydrophobicContact CD1-CG 4.29Å; I187-M217 HydrophobicContact CD1-SD 3.79Å; I187-M217 HydrophobicContact CG1-CE 3.99Å; I187-M217 HydrophobicContact CG2-CE 3.66Å; I187-L228 PolarHBondContact N-O 3.48Å; I187-L229 HydrophobicContact CB-CD1 4.4Å; I187-L229 HydrophobicContact CG2-CD1 4.31Å; I187-K230 PolarHBondContact O-N 3.14Å
188E98.9Very high98.5Very high7 Ų725.9 Ų25.93%0.03314%0.144CC..EExtended strand (participates in β ladder)trans-114.784.6-175.1-178.5176.1-151.100111.9K147 W148 R149 C150 E190 K230 L271K147-E188 WeakPolarHBondContact CD-OE2 3.4Å; K147-E188 WeakPolarHBondContact CE-OE2 3.2Å; K147-E188 IonicContact NZ-OE2 3.32Å; K147-E188 PolarHBondContact NZ-OE2 3.02Å; W148-E188 WeakPolarHBondContact O-CB 3.33Å; W148-E188 PolarHBondContact O-N 3.18Å; R149-E188 HydrophobicContact CB-CG 4.33Å; R149-E188 WeakPolarHBondContact CB-OE2 3.38Å; R149-E188 HydrophobicContact CG-CG 4.08Å; C150-E188 PolarHBondContact N-O 3.24Å; E188-E190 PolarHBondContact O-N 3.34Å; E188-K230 WeakPolarHBondContact CA-O 3.24Å; E188-K230 HydrophobicContact CB-CB 4.01Å; E188-K230 HydrophobicContact CB-CD 4.3Å; E188-K230 HydrophobicContact CB-CG 4.17Å; E188-K230 HydrophobicContact CG-CB 4.28Å; E188-K230 HydrophobicContact CG-CD 4.04Å; E188-K230 HydrophobicContact CG-CG 3.9Å; E188-K230 WeakPolarHBondContact OE1-CD 3.27Å; E188-K230 WeakPolarHBondContact OE1-CE 3.2Å; E188-K230 IonicContact OE1-NZ 2.68Å; E188-L271 HydrophobicContact CG-CD2 4.11Å
189P98.7Very high98.4Very high1 Ų126 Ų261%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-87.375.6170.535.1-31.3000109.8L171 I187 I191 V209 L210 V213 L229L171-P189 HydrophobicContact CD1-CB 3.85Å; I187-P189 WeakPolarHBondContact O-CD 3.38Å; P189-I191 PolarHBondContact O-N 2.86Å; P189-V209 HydrophobicContact CB-CG1 4.05Å; P189-L210 HydrophobicContact CG-CD2 3.94Å; P189-V213 HydrophobicContact CB-CG2 4Å; P189-V213 HydrophobicContact CG-CG2 4.21Å; P189-L229 HydrophobicContact CG-CD1 4.23Å
190E98.7Very high98.4Very high18 Ų1832 Ų328%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-72.1119.3-176.9-177.9175.8-179.900111.3R149 C150 V151 L152 E188 L192 L271R149-E190 IonicContact CZ-OE2 2.68Å; R149-E190 IonicContact NE-OE2 3.72Å; R149-E190 PolarHBondContact NE-OE2 3.03Å; R149-E190 IonicContact NH2-OE1 2.98Å; R149-E190 IonicContact NH2-OE2 3.5Å; R149-E190 PolarHBondContact NH2-OE2 3.46Å; C150-E190 PolarHBondContact O-N 3.42Å; V151-E190 CarbonylContact C-O 3.58Å; V151-E190 WeakPolarHBondContact CA-O 3.48Å; L152-E190 PolarHBondContact N-O 3.42Å; E188-E190 PolarHBondContact O-N 3.34Å; E190-L192 HydrophobicContact CG-CD2 4.19Å; E190-L271 HydrophobicContact CB-CD2 3.66Å; E190-L271 HydrophobicContact CG-CD1 4.04Å; E190-L271 HydrophobicContact CG-CD2 3.61Å
191I98.8Very high98.4Very high5 Ų531.9 Ų31.93%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-91.7120.1164.5-57.3157.3000107.6L152 I154 P189 V205 T206 V209 N232L152-I191 HydrophobicContact CB-CG1 4.16Å; L152-I191 HydrophobicContact CD1-CG1 4.31Å; I154-I191 HydrophobicContact CD1-CG2 3.66Å; I154-I191 HydrophobicContact CG1-CG2 3.62Å; P189-I191 PolarHBondContact O-N 2.86Å; I191-V205 HydrophobicContact CD1-CG1 4.03Å; I191-V205 HydrophobicContact CG1-CG1 4.5Å; I191-V205 HydrophobicContact CG2-CG1 4.28Å; I191-T206 VanDerWaalsContact CD1-CA 3.5Å; I191-V209 HydrophobicContact CD1-CB 4.06Å; I191-V209 HydrophobicContact CD1-CG1 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.96Å; I191-V209 HydrophobicContact CG1-CG2 4.26Å; I191-N232 WeakPolarHBondContact CB-OD1 3.48Å; I191-N232 PolarHBondContact N-OD1 3.31Å
192L97.9Very high98.4Very high28 Ų2830.1 Ų30.115%0.14716%0.157CC..PPolyproline II helixtrans-69.6141.9-176.7-67.1-177.3000111.6V151 L152 K153 E190 D194V151-L192 HydrophobicContact CG1-CD1 3.6Å; V151-L192 HydrophobicContact CG1-CD2 4.03Å; V151-L192 HydrophobicContact CG1-CG 3.64Å; L152-L192 PolarHBondContact O-N 3.07Å; K153-L192 HydrophobicContact CG-CD1 3.96Å; E190-L192 HydrophobicContact CG-CD2 4.19Å; L192-D194 WeakPolarHBondContact CB-OD2 3.4Å; L192-D194 PolarHBondContact O-N 3.19Å
193P96.9Very high98.4Very high17 Ų1730 Ų3011%0.1115%0.154CC..  trans-80.22.8175.835.7-38.7000113.2G195 G237 H238P193-G195 PolarHBondContact O-N 3.37Å; P193-G237 CarbonylContact O-C 3.47Å; P193-G237 WeakPolarHBondContact O-CA 3.44Å; P193-H238 WeakPolarHBondContact CG-CE1 3.32Å; P193-H238 WeakPolarHBondContact CG-NE2 3.43Å; P193-H238 PolarHBondContact O-N 3.39Å
194D97.3Very high98.4Very high93 Ų9335.7 Ų35.750%0.49718%0.177SC..  trans-60.6133.9176.3-62.2-109.9000111.3L192 H197L192-D194 WeakPolarHBondContact CB-OD2 3.4Å; L192-D194 PolarHBondContact O-N 3.19Å; D194-H197 PolarHBondContact O-CE1 2.93Å; D194-H197 VanDerWaalsContact O-CE1 3.32Å
195G96.8Very high98.4Very high30 Ų3035.9 Ų35.931%0.30918%0.178SC..SBendtrans117.9-178.9179.300000113.8P193 G237 H238 S239P193-G195 PolarHBondContact O-N 3.37Å; G195-G237 CarbonylContact O-C 3.23Å; G195-G237 VanDerWaalsContact O-C 3.23Å; G195-G237 WeakPolarHBondContact O-CA 3.42Å; G195-H238 PolarHBondContact O-N 3.42Å; G195-S239 WeakPolarHBondContact O-CB 3.24Å; G195-S239 PolarHBondContact O-N 3.08Å
196D97.8Very high98.4Very high119 Ų11935.7 Ų35.764%0.63618%0.177SC*.SBendtrans-106.15.5-177.663.7-15.2000113.7
197H98.5Very high98.4Very high16 Ų1637.1 Ų37.17%0.07418%0.183CC..  trans-58146.6-179.759.8-94.6000112.6I154 D194 R201 G237I154-H197 HydrophobicContact CG2-CB 3.84Å; D194-H197 PolarHBondContact O-CE1 2.93Å; D194-H197 VanDerWaalsContact O-CE1 3.32Å; H197-R201 HydrophobicContact CB-CB 4.12Å; H197-R201 HydrophobicContact CB-CG 3.83Å; H197-G237 WeakPolarHBondContact NE2-CA 3.42Å; H197-G237 PolarHBondContact NE2-N 3.13Å; H197-G237 PolarHBondContact O-N 2.64Å
198D98.4Very high98.4Very high60 Ų6042.1 Ų42.132%0.32121%0.205SC..  trans-81174.2-179.280.3-10.1000112.9K200 R201 C202D198-K200 VanDerWaalsContact C-N 3.29Å; D198-K200 PolarHBondContact O-N 2.95Å; D198-K200 PolarHBondContact OD1-N 3.24Å; D198-R201 PolarHBondContact O-N 3.48Å; D198-R201 WeakPolarHBondContact OD1-CB 3.25Å; D198-R201 PolarHBondContact OD1-N 3.49Å; D198-C202 PolarHBondContact O-N 3.11Å
199L98.6Very high98.4Very high3 Ų341.9 Ų41.92%0.01620%0.204CC..Hα-helixtrans-60.4-39.3-179.3-175.967.2000112.1C202 Q203 V234 Y244 E248 V249 A252 Y363L199-C202 PolarHBondContact O-N 2.95Å; L199-Q203 PolarHBondContact O-N 3.25Å; L199-V234 HydrophobicContact CD1-CG1 3.92Å; L199-V234 WeakPolarHBondContact CD1-O 3.45Å; L199-Y244 HydrophobicContact CB-CD1 3.92Å; L199-Y244 HydrophobicContact CB-CD2 4.09Å; L199-Y244 HydrophobicContact CB-CE1 3.64Å; L199-Y244 HydrophobicContact CB-CE2 3.83Å; L199-Y244 HydrophobicContact CB-CG 4.12Å; L199-Y244 HydrophobicContact CD2-CD1 3.6Å; L199-Y244 HydrophobicContact CD2-CE1 4.01Å; L199-Y244 HydrophobicContact CD2-CG 4.01Å; L199-Y244 HydrophobicContact CG-CD1 4.39Å; L199-Y244 HydrophobicContact CG-CE1 4.49Å; L199-E248 HydrophobicContact CD2-CB 4.01Å; L199-V249 HydrophobicContact CD1-CG2 4.39Å; L199-A252 HydrophobicContact CD1-CB 4.1Å; L199-A252 HydrophobicContact CD2-CB 4.01Å; L199-A252 HydrophobicContact CG-CB 3.98Å; L199-Y363 HydrophobicContact CD2-CE1 4.32Å
200K98.4Very high98.4Very high130 Ų13041.9 Ų41.957%0.56520%0.204SC*.Hα-helixtrans-67.2-39.7-178.4-68.3-178.2177.4-179.50111.6D198 Q203 Y204D198-K200 VanDerWaalsContact C-N 3.29Å; D198-K200 PolarHBondContact O-N 2.95Å; D198-K200 PolarHBondContact OD1-N 3.24Å; K200-Q203 WeakPolarHBondContact O-CB 3.46Å; K200-Q203 PolarHBondContact O-N 3.11Å; K200-Y204 WeakPolarHBondContact O-CB 3.32Å; K200-Y204 PolarHBondContact O-N 3.02Å
201R98.5Very high98.4Very high87 Ų8743.4 Ų43.433%0.32822%0.22SC..Hα-helixtrans-62.7-44.6174.9178.858.5175.5165.30.4111I154 S155 H197 D198 Q203 Y204 V205I154-R201 HydrophobicContact CG2-CG 3.85Å; S155-R201 PolarHBondContact O-NH2 2.96Å; H197-R201 HydrophobicContact CB-CB 4.12Å; H197-R201 HydrophobicContact CB-CG 3.83Å; D198-R201 PolarHBondContact O-N 3.48Å; D198-R201 WeakPolarHBondContact OD1-CB 3.25Å; D198-R201 PolarHBondContact OD1-N 3.49Å; R201-Q203 VanDerWaalsContact C-N 3.33Å; R201-Q203 PolarHBondContact O-N 3.28Å; R201-Y204 PolarHBondContact O-N 3.44Å; R201-V205 WeakPolarHBondContact O-CG2 3.28Å; R201-V205 PolarHBondContact O-N 2.94Å
202C98.8Very high98.4Very high4 Ų444.5 Ų44.53%0.02723%0.23CC..Hα-helixtrans-60.7-43.1174.6-174.60000111.7I154 D198 L199 V205 T206 V234 T235I154-C202 HydrophobicContact CD1-CB 4.22Å; D198-C202 PolarHBondContact O-N 3.11Å; L199-C202 PolarHBondContact O-N 2.95Å; C202-V205 PolarHBondContact O-N 3.28Å; C202-T206 VanDerWaalsContact O-CB 3.32Å; C202-T206 WeakPolarHBondContact O-CB 3.34Å; C202-T206 PolarHBondContact O-N 2.9Å; C202-T206 PolarHBondContact O-OG1 2.82Å; C202-V234 HydrophobicContact CB-CG1 4.17Å; C202-T235 WeakPolarHBondContact CB-O 3.39Å; C202-T235 PolarHBondContact SG-O 3.45Å
203Q98.9Very high98.5Very high3 Ų343.3 Ų43.31%0.01422%0.223CC..Hα-helixtrans-60.6-50.2177.1-163-174.5-35.900111.6L199 K200 R201 V205 T206 E207 V234 A252 A256 Y363L199-Q203 PolarHBondContact O-N 3.25Å; K200-Q203 WeakPolarHBondContact O-CB 3.46Å; K200-Q203 PolarHBondContact O-N 3.11Å; R201-Q203 VanDerWaalsContact C-N 3.33Å; R201-Q203 PolarHBondContact O-N 3.28Å; Q203-V205 VanDerWaalsContact C-N 3.34Å; Q203-V205 PolarHBondContact O-N 3.17Å; Q203-T206 PolarHBondContact O-N 2.86Å; Q203-E207 PolarHBondContact NE2-OE1 3.44Å; Q203-E207 WeakPolarHBondContact O-CG 3.4Å; Q203-E207 PolarHBondContact O-N 3.37Å; Q203-V234 HydrophobicContact CB-CG1 3.65Å; Q203-V234 HydrophobicContact CG-CG1 4.14Å; Q203-A252 HydrophobicContact CG-CB 4.44Å; Q203-A256 HydrophobicContact CG-CB 4.02Å; Q203-Y363 PolarHBondContact NE2-OXT 3.3Å; Q203-Y363 PolarHBondContact OE1-OXT 3.5Å
204Y98.9Very high98.6Very high121 Ų12143.2 Ų43.248%0.47522%0.221SC..Hα-helixtrans-56.1-48.5178.6175.1-92.4000111.8K200 R201 E207 K208K200-Y204 WeakPolarHBondContact O-CB 3.32Å; K200-Y204 PolarHBondContact O-N 3.02Å; R201-Y204 PolarHBondContact O-N 3.44Å; Y204-E207 PolarHBondContact O-N 3.21Å; Y204-K208 HydrophobicContact CD1-CG 4.39Å; Y204-K208 HydrophobicContact CE1-CG 3.94Å; Y204-K208 VanDerWaalsContact CE2-CE 3.44Å; Y204-K208 HydrophobicContact CE2-CG 4.38Å; Y204-K208 VanDerWaalsContact CZ-CE 3.49Å; Y204-K208 WeakPolarHBondContact O-CG 3.5Å; Y204-K208 PolarHBondContact O-N 3.03Å; Y204-K208 WeakPolarHBondContact OH-CE 3.29Å
205V98.9Very high98.7Very high4 Ų444.3 Ų44.32%0.02422%0.221CC..Hα-helixtrans-65.8-41.7-179.7175.10000110.9I154 P159 I191 R201 C202 Q203 E207 K208 V209I154-V205 HydrophobicContact CD1-CB 4.05Å; I154-V205 HydrophobicContact CD1-CG1 4.29Å; I154-V205 HydrophobicContact CD1-CG2 4.22Å; I154-V205 HydrophobicContact CG1-CB 4.21Å; I154-V205 HydrophobicContact CG1-CG1 4.04Å; I154-V205 HydrophobicContact CG1-CG2 4.14Å; P159-V205 HydrophobicContact CG-CG1 3.49Å; P159-V205 VanDerWaalsContact CG-CG1 3.49Å; I191-V205 HydrophobicContact CD1-CG1 4.03Å; I191-V205 HydrophobicContact CG1-CG1 4.5Å; I191-V205 HydrophobicContact CG2-CG1 4.28Å; R201-V205 WeakPolarHBondContact O-CG2 3.28Å; R201-V205 PolarHBondContact O-N 2.94Å; C202-V205 PolarHBondContact O-N 3.28Å; Q203-V205 VanDerWaalsContact C-N 3.34Å; Q203-V205 PolarHBondContact O-N 3.17Å; V205-E207 VanDerWaalsContact C-N 3.33Å; V205-E207 PolarHBondContact O-N 3.06Å; V205-K208 PolarHBondContact O-N 3.27Å; V205-V209 HydrophobicContact CG1-CG2 4.15Å; V205-V209 WeakPolarHBondContact O-CB 3.39Å; V205-V209 VanDerWaalsContact O-CG2 3.32Å; V205-V209 WeakPolarHBondContact O-CG2 3.31Å; V205-V209 PolarHBondContact O-N 2.81Å
206T98.9Very high98.8Very high1 Ų143.4 Ų43.41%0.00621%0.211CC..Hα-helixtrans-57.8-45.6175.6-59.60000111.2I191 C202 Q203 K208 V209 L210 N232 V234 A256 M257I191-T206 VanDerWaalsContact CD1-CA 3.5Å; C202-T206 VanDerWaalsContact O-CB 3.32Å; C202-T206 WeakPolarHBondContact O-CB 3.34Å; C202-T206 PolarHBondContact O-N 2.9Å; C202-T206 PolarHBondContact O-OG1 2.82Å; Q203-T206 PolarHBondContact O-N 2.86Å; T206-K208 PolarHBondContact O-N 2.79Å; T206-V209 PolarHBondContact O-N 3.29Å; T206-L210 HydrophobicContact CG2-CD1 3.78Å; T206-L210 HydrophobicContact CG2-CG 4.23Å; T206-L210 WeakPolarHBondContact O-CB 3.18Å; T206-L210 VanDerWaalsContact O-CG 3.31Å; T206-L210 WeakPolarHBondContact O-CG 3.34Å; T206-L210 PolarHBondContact O-N 3.12Å; T206-N232 PolarHBondContact OG1-ND2 2.95Å; T206-V234 HydrophobicContact CG2-CG2 4.01Å; T206-A256 HydrophobicContact CG2-CB 4.17Å; T206-M257 HydrophobicContact CG2-CE 4.12Å
207E98.9Very high98.8Very high31 Ų3137.7 Ų37.715%0.14518%0.18CC..Hα-helixtrans-61.7-44177-71.8177.3-163.400112.2Q203 Y204 V205 A211 A256 R259 T260Q203-E207 PolarHBondContact NE2-OE1 3.44Å; Q203-E207 WeakPolarHBondContact O-CG 3.4Å; Q203-E207 PolarHBondContact O-N 3.37Å; Y204-E207 PolarHBondContact O-N 3.21Å; V205-E207 VanDerWaalsContact C-N 3.33Å; V205-E207 PolarHBondContact O-N 3.06Å; E207-A211 VanDerWaalsContact O-CB 3.28Å; E207-A211 WeakPolarHBondContact O-CB 3.36Å; E207-A211 PolarHBondContact O-N 2.97Å; E207-A256 HydrophobicContact CG-CB 3.88Å; E207-R259 VanDerWaalsContact CD-CD 3.47Å; E207-R259 WeakPolarHBondContact OE1-CD 3.47Å; E207-R259 IonicContact OE1-CZ 3.6Å; E207-R259 IonicContact OE1-NE 3.7Å; E207-R259 IonicContact OE1-NH1 2.64Å; E207-R259 PolarHBondContact OE1-NH1 3.35Å; E207-R259 IonicContact OE2-NH1 3.05Å; E207-T260 HydrophobicContact CB-CG2 4.13Å; E207-T260 HydrophobicContact CG-CG2 4.37Å; E207-T260 WeakPolarHBondContact O-CG2 3.17Å
208K98.9Very high98.8Very high106 Ų10640.7 Ų40.746%0.46120%0.203SC..Hα-helixtrans-66.6-41.2178.9-63.7-50.7178.8-170.30112.7Y204 V205 T206 A212Y204-K208 HydrophobicContact CD1-CG 4.39Å; Y204-K208 HydrophobicContact CE1-CG 3.94Å; Y204-K208 VanDerWaalsContact CE2-CE 3.44Å; Y204-K208 HydrophobicContact CE2-CG 4.38Å; Y204-K208 VanDerWaalsContact CZ-CE 3.49Å; Y204-K208 WeakPolarHBondContact O-CG 3.5Å; Y204-K208 PolarHBondContact O-N 3.03Å; Y204-K208 WeakPolarHBondContact OH-CE 3.29Å; V205-K208 PolarHBondContact O-N 3.27Å; T206-K208 PolarHBondContact O-N 2.79Å; K208-A212 PolarHBondContact O-N 2.75Å
209V98.9Very high98.8Very high2 Ų242 Ų421%0.01221%0.21CC..Hα-helixtrans-65.3-50177.8168.60000110.4L152 P159 I164 P189 I191 V205 T206 A211 A212 V213L152-V209 HydrophobicContact CD1-CG1 3.69Å; L152-V209 HydrophobicContact CD1-CG2 4.08Å; L152-V209 HydrophobicContact CD2-CG2 4.45Å; P159-V209 HydrophobicContact CG-CG2 4.46Å; I164-V209 HydrophobicContact CD1-CG2 4.41Å; I164-V209 HydrophobicContact CG1-CG2 4.15Å; P189-V209 HydrophobicContact CB-CG1 4.05Å; I191-V209 HydrophobicContact CD1-CB 4.06Å; I191-V209 HydrophobicContact CD1-CG1 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.96Å; I191-V209 HydrophobicContact CG1-CG2 4.26Å; V205-V209 HydrophobicContact CG1-CG2 4.15Å; V205-V209 WeakPolarHBondContact O-CB 3.39Å; V205-V209 VanDerWaalsContact O-CG2 3.32Å; V205-V209 WeakPolarHBondContact O-CG2 3.31Å; V205-V209 PolarHBondContact O-N 2.81Å; T206-V209 PolarHBondContact O-N 3.29Å; V209-A211 PolarHBondContact O-N 3.38Å; V209-A212 WeakPolarHBondContact O-CB 3Å; V209-A212 PolarHBondContact O-N 3.44Å; V209-V213 HydrophobicContact CG1-CG2 4.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.14Å; V209-V213 PolarHBondContact O-N 3.45Å
210L98.9Very high98.8Very high2 Ų243.7 Ų43.71%0.0122%0.218CC..Hα-helixtrans-66.9-36.1-177-68.3-179.2000112.5P189 T206 A212 V213 Y214 L229 M257 T260 V261P189-L210 HydrophobicContact CG-CD2 3.94Å; T206-L210 HydrophobicContact CG2-CD1 3.78Å; T206-L210 HydrophobicContact CG2-CG 4.23Å; T206-L210 WeakPolarHBondContact O-CB 3.18Å; T206-L210 VanDerWaalsContact O-CG 3.31Å; T206-L210 WeakPolarHBondContact O-CG 3.34Å; T206-L210 PolarHBondContact O-N 3.12Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 2.92Å; L210-V213 PolarHBondContact O-N 3.21Å; L210-Y214 WeakPolarHBondContact O-CD2 3.47Å; L210-Y214 PolarHBondContact O-N 2.63Å; L210-L229 HydrophobicContact CD1-CD2 4.47Å; L210-L229 HydrophobicContact CD2-CD1 4.06Å; L210-L229 HydrophobicContact CD2-CD2 4.07Å; L210-M257 HydrophobicContact CD1-CE 3.72Å; L210-M257 HydrophobicContact CD1-SD 3.5Å; L210-M257 VanDerWaalsContact CD1-SD 3.5Å; L210-T260 HydrophobicContact CB-CG2 4.2Å; L210-T260 VanDerWaalsContact CB-OG1 3.29Å; L210-T260 WeakPolarHBondContact CB-OG1 3.47Å; L210-T260 WeakPolarHBondContact CD1-OG1 3.22Å; L210-V261 HydrophobicContact CD1-CG2 4.45Å
211A98.9Very high98.8Very high50 Ų5043.7 Ų43.741%0.41322%0.22SC..Hα-helixtrans-59.3-43.9172.400000111.8E207 V209 K215 T260E207-A211 VanDerWaalsContact O-CB 3.28Å; E207-A211 WeakPolarHBondContact O-CB 3.36Å; E207-A211 PolarHBondContact O-N 2.97Å; V209-A211 PolarHBondContact O-N 3.38Å; A211-K215 WeakPolarHBondContact O-CB 3.37Å; A211-K215 PolarHBondContact O-N 3.46Å; A211-T260 HydrophobicContact CB-CG2 4.35Å
212A98.9Very high98.8Very high28 Ų2840.1 Ų40.123%0.23121%0.207CC..Hα-helixtrans-66-41.6176.100000112.2I164 A168 K208 V209 L210 K215 A216I164-A212 HydrophobicContact CG2-CB 3.36Å; A168-A212 HydrophobicContact CB-CB 4.23Å; K208-A212 PolarHBondContact O-N 2.75Å; V209-A212 WeakPolarHBondContact O-CB 3Å; V209-A212 PolarHBondContact O-N 3.44Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 2.92Å; A212-K215 PolarHBondContact O-N 3.07Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.9Å
213V98.9Very high98.8Very high2 Ų242 Ų421%0.01221%0.214CC..Hα-helixtrans-58.2-53.7176.4168.60000110.6A168 L171 I187 P189 V209 L210 K215 A216 M217A168-V213 HydrophobicContact CB-CG2 4.23Å; L171-V213 HydrophobicContact CD1-CG2 4.23Å; I187-V213 HydrophobicContact CG2-CG1 3.92Å; P189-V213 HydrophobicContact CB-CG2 4Å; P189-V213 HydrophobicContact CG-CG2 4.21Å; V209-V213 HydrophobicContact CG1-CG2 4.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.14Å; V209-V213 PolarHBondContact O-N 3.45Å; L210-V213 PolarHBondContact O-N 3.21Å; V213-K215 VanDerWaalsContact C-N 3.33Å; V213-K215 PolarHBondContact O-N 3.09Å; V213-A216 WeakPolarHBondContact O-CB 3.16Å; V213-A216 PolarHBondContact O-N 3.05Å; V213-A216 VanDerWaalsContact O-N 3.13Å; V213-M217 HydrophobicContact CG1-CE 4Å; V213-M217 HydrophobicContact CG1-CG 4.4Å; V213-M217 VanDerWaalsContact O-CG 3.32Å; V213-M217 WeakPolarHBondContact O-CG 3.05Å; V213-M217 PolarHBondContact O-N 2.64Å
214Y98.9Very high98.9Very high15 Ų1543.2 Ų43.26%0.05922%0.221CC..Hα-helixtrans-70-29.4-177.7-78-70.6000113.4L210 M217 S218 L224 L229 T260 V261 P262 V265L210-Y214 WeakPolarHBondContact O-CD2 3.47Å; L210-Y214 PolarHBondContact O-N 2.63Å; Y214-M217 PolarHBondContact O-N 3.27Å; Y214-S218 PolarHBondContact O-N 2.7Å; Y214-L224 HydrophobicContact CD1-CD1 4.31Å; Y214-L224 HydrophobicContact CD1-CD2 4.13Å; Y214-L224 HydrophobicContact CE1-CD2 4.15Å; Y214-L229 HydrophobicContact CE2-CD2 4.32Å; Y214-T260 WeakPolarHBondContact CD2-O 3.25Å; Y214-V261 HydrophobicContact CE2-CB 4.11Å; Y214-V261 HydrophobicContact CE2-CG1 4.05Å; Y214-V261 HydrophobicContact CE2-CG2 3.81Å; Y214-V261 WeakPolarHBondContact OH-CG1 3.47Å; Y214-P262 VanDerWaalsContact CD1-CD 3.43Å; Y214-P262 HydrophobicContact CD1-CG 3.97Å; Y214-P262 HydrophobicContact CE1-CG 4.5Å; Y214-P262 HydrophobicContact CG-CG 4.2Å; Y214-V265 HydrophobicContact CE1-CG2 3.62Å
215K98.9Very high98.9Very high116 Ų11640.3 Ų40.350%0.50421%0.212SC..Hα-helixtrans-62.1-45.5168.6-178.957.1170.172.40111.4A211 A212 V213 S218 D219A211-K215 WeakPolarHBondContact O-CB 3.37Å; A211-K215 PolarHBondContact O-N 3.46Å; A212-K215 PolarHBondContact O-N 3.07Å; V213-K215 VanDerWaalsContact C-N 3.33Å; V213-K215 PolarHBondContact O-N 3.09Å; K215-S218 WeakPolarHBondContact O-CB 3.42Å; K215-S218 PolarHBondContact O-N 3.34Å; K215-D219 IonicContact NZ-OD1 3.87Å; K215-D219 PolarHBondContact NZ-OD1 3.43Å; K215-D219 IonicContact NZ-OD2 3.32Å; K215-D219 PolarHBondContact NZ-OD2 3.2Å; K215-D219 VanDerWaalsContact O-CG 3.26Å; K215-D219 PolarHBondContact O-N 2.83Å
216A98.9Very high98.9Very high11 Ų1140.1 Ų40.19%0.09121%0.21CC..Hα-helixtrans-64.1-40.8176.100000112A168 A172 A212 V213 S218 D219 H220A168-A216 HydrophobicContact CB-CB 3.93Å; A168-A216 WeakPolarHBondContact O-CB 3.44Å; A172-A216 HydrophobicContact CB-CB 3.89Å; A172-A216 WeakPolarHBondContact CB-O 3.31Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.9Å; V213-A216 WeakPolarHBondContact O-CB 3.16Å; V213-A216 PolarHBondContact O-N 3.05Å; V213-A216 VanDerWaalsContact O-N 3.13Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 2.8Å; A216-D219 PolarHBondContact O-N 2.9Å; A216-D219 VanDerWaalsContact O-N 3.17Å; A216-H220 PolarHBondContact O-CD2 2.68Å; A216-H220 PolarHBondContact O-N 2.92Å
217M98.8Very high98.9Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-57.7-44174.1-65.4-57.6153.500111.7L171 A172 I187 V213 Y214 H220 H221 V222 L224L171-M217 HydrophobicContact CB-CE 3.69Å; A172-M217 HydrophobicContact CB-CE 4.13Å; A172-M217 HydrophobicContact CB-SD 4.05Å; I187-M217 HydrophobicContact CD1-CE 3.75Å; I187-M217 HydrophobicContact CD1-CG 4.29Å; I187-M217 HydrophobicContact CD1-SD 3.79Å; I187-M217 HydrophobicContact CG1-CE 3.99Å; I187-M217 HydrophobicContact CG2-CE 3.66Å; V213-M217 HydrophobicContact CG1-CE 4Å; V213-M217 HydrophobicContact CG1-CG 4.4Å; V213-M217 VanDerWaalsContact O-CG 3.32Å; V213-M217 WeakPolarHBondContact O-CG 3.05Å; V213-M217 PolarHBondContact O-N 2.64Å; Y214-M217 PolarHBondContact O-N 3.27Å; M217-H220 PolarHBondContact O-N 3.45Å; M217-H221 PolarHBondContact O-N 2.86Å; M217-V222 HydrophobicContact CB-CB 4.09Å; M217-V222 HydrophobicContact CB-CG2 4.45Å; M217-V222 WeakPolarHBondContact O-CB 3.28Å; M217-V222 PolarHBondContact O-N 2.64Å; M217-V222 HydrophobicContact SD-CB 4.06Å; M217-V222 HydrophobicContact SD-CG1 4.01Å; M217-V222 HydrophobicContact SD-CG2 3.78Å; M217-L224 HydrophobicContact CB-CD2 4.01Å
218S98.8Very high98.9Very high79 Ų7938.6 Ų38.655%0.55220%0.203SC*.Hα-helixtrans-61.8-44.4175-177.60000112.1Y214 K215 A216 H220 H221Y214-S218 PolarHBondContact O-N 2.7Å; K215-S218 WeakPolarHBondContact O-CB 3.42Å; K215-S218 PolarHBondContact O-N 3.34Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 2.8Å; S218-H220 VanDerWaalsContact C-N 3.29Å; S218-H220 PolarHBondContact O-N 3.3Å; S218-H221 PolarHBondContact O-N 3.34Å
219D98.5Very high98.9Very high86 Ų8633.6 Ų33.646%0.4618%0.181SC..Hα-helixtrans-66.7-30.5-178-70.2-20000113K215 A216 H221K215-D219 IonicContact NZ-OD1 3.87Å; K215-D219 PolarHBondContact NZ-OD1 3.43Å; K215-D219 IonicContact NZ-OD2 3.32Å; K215-D219 PolarHBondContact NZ-OD2 3.2Å; K215-D219 VanDerWaalsContact O-CG 3.26Å; K215-D219 PolarHBondContact O-N 2.83Å; A216-D219 PolarHBondContact O-N 2.9Å; A216-D219 VanDerWaalsContact O-N 3.17Å; D219-H221 VanDerWaalsContact C-N 3.35Å
220H98.8Very high98.9Very high40 Ų4033.8 Ų33.819%0.18518%0.182CC..THydrogen-bonded Turntrans-95.212.8177.4-71.3-104.6000113.4N169 A172 R173 A216 M217 S218 V222N169-H220 PolarHBondContact OD1-CE1 3.24Å; N169-H220 PolarHBondContact OD1-NE2 3.49Å; A172-H220 HydrophobicContact CB-CB 3.9Å; R173-H220 WeakPolarHBondContact CD-CE1 3.09Å; R173-H220 WeakPolarHBondContact CD-ND1 3.38Å; A216-H220 PolarHBondContact O-CD2 2.68Å; A216-H220 PolarHBondContact O-N 2.92Å; M217-H220 PolarHBondContact O-N 3.45Å; S218-H220 VanDerWaalsContact C-N 3.29Å; S218-H220 PolarHBondContact O-N 3.3Å; H220-V222 HydrophobicContact CB-CG2 4.31Å; H220-V222 PolarHBondContact O-N 2.68Å
221H98.4Very high98.9Very high130 Ų13033.7 Ų33.760%0.60218%0.182SC*.THydrogen-bonded Turntrans59.231.8175.2-44.4-56.1000114.1A7 M217 S218 D219 Y223A7-H221 HydrophobicContact CB-CB 4.44Å; M217-H221 PolarHBondContact O-N 2.86Å; S218-H221 PolarHBondContact O-N 3.34Å; D219-H221 VanDerWaalsContact C-N 3.35Å; H221-Y223 PolarHBondContact O-N 3.38Å
222V98.9Very high98.8Very high12 Ų1231.8 Ų31.87%0.07317%0.165CC..  trans-69.7129.4178.5177.50000109.6M217 H220 L224M217-V222 HydrophobicContact CB-CB 4.09Å; M217-V222 HydrophobicContact CB-CG2 4.45Å; M217-V222 WeakPolarHBondContact O-CB 3.28Å; M217-V222 PolarHBondContact O-N 2.64Å; M217-V222 HydrophobicContact SD-CB 4.06Å; M217-V222 HydrophobicContact SD-CG1 4.01Å; M217-V222 HydrophobicContact SD-CG2 3.78Å; H220-V222 HydrophobicContact CB-CG2 4.31Å; H220-V222 PolarHBondContact O-N 2.68Å; V222-L224 PolarHBondContact O-N 2.97Å
223Y98.9Very high98.8Very high42 Ų4230.6 Ų30.617%0.16515%0.154CC..  trans-80.8106.3177177.2-118.9000110L8 K13 H17 Q179 H221 E225 G226L8-Y223 HydrophobicContact CD1-CD1 4.38Å; L8-Y223 HydrophobicContact CD1-CG 4.31Å; K13-Y223 HydrophobicContact CB-CD1 4.21Å; K13-Y223 HydrophobicContact CB-CE1 3.67Å; K13-Y223 HydrophobicContact CB-CE2 4.39Å; K13-Y223 HydrophobicContact CD-CD2 4.2Å; K13-Y223 HydrophobicContact CD-CE2 3.93Å; K13-Y223 HydrophobicContact CG-CD1 4Å; K13-Y223 HydrophobicContact CG-CD2 4.21Å; K13-Y223 HydrophobicContact CG-CE1 3.9Å; K13-Y223 HydrophobicContact CG-CE2 4.1Å; K13-Y223 HydrophobicContact CG-CG 4.15Å; K13-Y223 WeakPolarHBondContact O-CE1 3.45Å; H17-Y223 HydrophobicContact CB-CE1 4.3Å; Q179-Y223 PolarHBondContact NE2-O 2.92Å; H221-Y223 PolarHBondContact O-N 3.38Å; Y223-E225 HydrophobicContact CD1-CB 4.45Å; Y223-E225 VanDerWaalsContact CD2-OE2 3.23Å; Y223-E225 WeakPolarHBondContact CD2-OE2 3.4Å; Y223-E225 HydrophobicContact CE1-CB 3.76Å; Y223-E225 HydrophobicContact CE2-CB 3.97Å; Y223-E225 HydrophobicContact CE2-CG 4.09Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.49Å; Y223-E225 VanDerWaalsContact CZ-CB 3.49Å; Y223-E225 PolarHBondContact O-N 3.42Å; Y223-G226 PolarHBondContact O-N 3.5Å; Y223-G226 VanDerWaalsContact O-N 3.15Å
224L98.9Very high98.8Very high29 Ų2930.5 Ų30.515%0.15215%0.154CC..G310 helixtrans-68.9-34.5-166.6-62-175.4000113.3Y214 M217 V222 G226 S227 P262 A264 V265 P266Y214-L224 HydrophobicContact CD1-CD1 4.31Å; Y214-L224 HydrophobicContact CD1-CD2 4.13Å; Y214-L224 HydrophobicContact CE1-CD2 4.15Å; M217-L224 HydrophobicContact CB-CD2 4.01Å; V222-L224 PolarHBondContact O-N 2.97Å; L224-G226 PolarHBondContact O-N 2.85Å; L224-S227 PolarHBondContact O-N 2.88Å; L224-S227 PolarHBondContact O-OG 3.2Å; L224-P262 HydrophobicContact CD1-CB 3.83Å; L224-P262 HydrophobicContact CD1-CG 3.74Å; L224-A264 HydrophobicContact CB-CB 4.09Å; L224-A264 HydrophobicContact CD1-CB 4.49Å; L224-V265 HydrophobicContact CB-CG2 4.17Å; L224-V265 HydrophobicContact CD1-CG2 4.49Å; L224-P266 WeakPolarHBondContact O-CD 3.35Å
225E98.9Very high98.8Very high61 Ų6130.7 Ų30.729%0.28516%0.156SC..G310 helixtrans-61.9-24.7176.2-59.585.3151.300111.6H17 Y223 A264 P266H17-E225 WeakPolarHBondContact CA-O 3.42Å; H17-E225 HydrophobicContact CB-CB 4.44Å; H17-E225 PolarHBondContact CD2-O 3.29Å; Y223-E225 HydrophobicContact CD1-CB 4.45Å; Y223-E225 VanDerWaalsContact CD2-OE2 3.23Å; Y223-E225 WeakPolarHBondContact CD2-OE2 3.4Å; Y223-E225 HydrophobicContact CE1-CB 3.76Å; Y223-E225 HydrophobicContact CE2-CB 3.97Å; Y223-E225 HydrophobicContact CE2-CG 4.09Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.49Å; Y223-E225 VanDerWaalsContact CZ-CB 3.49Å; Y223-E225 PolarHBondContact O-N 3.42Å; E225-A264 WeakPolarHBondContact CA-O 3.5Å; E225-A264 HydrophobicContact CG-CB 4.3Å; E225-A264 WeakPolarHBondContact CG-O 3.11Å; E225-A264 PolarHBondContact N-O 3.24Å; E225-P266 WeakPolarHBondContact O-CG 3.33Å
226G98.9Very high98.8Very high0 Ų026.5 Ų26.50%014%0.141CC..G310 helixtrans-9930.5174.700000113.8Q179 P185 Y223 L224Q179-G226 PolarHBondContact NE2-O 3.22Å; P185-G226 WeakPolarHBondContact CD-O 3.39Å; Y223-G226 PolarHBondContact O-N 3.5Å; Y223-G226 VanDerWaalsContact O-N 3.15Å; L224-G226 PolarHBondContact O-N 2.85Å
227S98.9Very high98.7Very high0 Ų026.2 Ų26.20%014%0.139CC..  trans-137.8169.3-179.9750000111.8L224 P266L224-S227 PolarHBondContact O-N 2.88Å; L224-S227 PolarHBondContact O-OG 3.2Å; S227-P266 WeakPolarHBondContact O-CD 3.31Å; S227-P266 WeakPolarHBondContact O-CG 3.46Å
228L98.9Very high98.6Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-135.2147169.1-68.4171.5000109.7A20 I23 V24 I30 V184 P185 V186 I187 P266A20-L228 HydrophobicContact CB-CD2 4.5Å; A20-L228 HydrophobicContact CB-CG 4.48Å; I23-L228 HydrophobicContact CB-CD1 3.99Å; I23-L228 HydrophobicContact CD1-CD1 3.9Å; I23-L228 HydrophobicContact CG2-CD1 3.68Å; V24-L228 HydrophobicContact CG1-CD1 4.16Å; V24-L228 HydrophobicContact CG1-CD2 3.62Å; V24-L228 HydrophobicContact CG2-CD2 4.36Å; I30-L228 HydrophobicContact CD1-CD1 4.41Å; V184-L228 HydrophobicContact CG1-CG 4.45Å; P185-L228 PolarHBondContact O-N 3.06Å; V186-L228 WeakPolarHBondContact CA-O 3.36Å; V186-L228 HydrophobicContact CG2-CB 4.22Å; V186-L228 HydrophobicContact CG2-CD1 4.29Å; I187-L228 PolarHBondContact N-O 3.48Å; L228-P266 HydrophobicContact CD2-CG 3.98Å
229L98.9Very high98.5Very high0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-98.1135.6172.7-174.869.8000110I187 P189 L210 Y214 P231 M257 V261 G267 I268 C269I187-L229 HydrophobicContact CB-CD1 4.4Å; I187-L229 HydrophobicContact CG2-CD1 4.31Å; P189-L229 HydrophobicContact CG-CD1 4.23Å; L210-L229 HydrophobicContact CD1-CD2 4.47Å; L210-L229 HydrophobicContact CD2-CD1 4.06Å; L210-L229 HydrophobicContact CD2-CD2 4.07Å; Y214-L229 HydrophobicContact CE2-CD2 4.32Å; L229-P231 HydrophobicContact CD2-CB 4.14Å; L229-P231 HydrophobicContact CD2-CG 3.85Å; L229-P231 HydrophobicContact CG-CB 4.24Å; L229-P231 HydrophobicContact CG-CG 4.02Å; L229-M257 HydrophobicContact CD2-SD 4.04Å; L229-V261 HydrophobicContact CD2-CG2 3.89Å; L229-G267 PolarHBondContact N-O 3.11Å; L229-I268 HydrophobicContact CB-CG1 4.42Å; L229-I268 HydrophobicContact CD2-CD1 4.45Å; L229-I268 HydrophobicContact CD2-CG1 4.45Å; L229-I268 HydrophobicContact CD2-CG2 4.36Å; L229-I268 CarbonylContact O-C 3.54Å; L229-I268 WeakPolarHBondContact O-CA 3.26Å; L229-C269 PolarHBondContact O-N 3.46Å
230K98.9Very high98.4Very high6 Ų628 Ų283%0.02615%0.146CC..  trans-121.679.7170.7177.2169.3-175.81750109.7V186 I187 E188 C269 L271 S301V186-K230 HydrophobicContact CG1-CB 3.58Å; V186-K230 HydrophobicContact CG1-CD 4.11Å; V186-K230 HydrophobicContact CG1-CG 4.49Å; I187-K230 PolarHBondContact O-N 3.14Å; E188-K230 WeakPolarHBondContact CA-O 3.24Å; E188-K230 HydrophobicContact CB-CB 4.01Å; E188-K230 HydrophobicContact CB-CD 4.3Å; E188-K230 HydrophobicContact CB-CG 4.17Å; E188-K230 HydrophobicContact CG-CB 4.28Å; E188-K230 HydrophobicContact CG-CD 4.04Å; E188-K230 HydrophobicContact CG-CG 3.9Å; E188-K230 WeakPolarHBondContact OE1-CD 3.27Å; E188-K230 WeakPolarHBondContact OE1-CE 3.2Å; E188-K230 IonicContact OE1-NZ 2.68Å; K230-C269 WeakPolarHBondContact CA-O 3.46Å; K230-C269 VanDerWaalsContact CG-O 3.29Å; K230-C269 WeakPolarHBondContact CG-O 3.31Å; K230-L271 HydrophobicContact CG-CB 4.14Å; K230-L271 HydrophobicContact CG-CD2 4.43Å; K230-S301 VanDerWaalsContact CE-O 3.28Å; K230-S301 WeakPolarHBondContact CE-O 3.23Å; K230-S301 WeakPolarHBondContact CE-OG 3.13Å; K230-S301 PolarHBondContact NZ-O 3.01Å; K230-S301 PolarHBondContact NZ-OG 3.2Å
231P98.8Very high98.3Very high1 Ų131.3 Ų31.31%0.00617%0.171CC..PPolyproline II helixtrans-90.4165.9179.937.1-28.8000110.3L229 M257 I268 F270 L271L229-P231 HydrophobicContact CD2-CB 4.14Å; L229-P231 HydrophobicContact CD2-CG 3.85Å; L229-P231 HydrophobicContact CG-CB 4.24Å; L229-P231 HydrophobicContact CG-CG 4.02Å; P231-M257 HydrophobicContact CB-CE 3.79Å; P231-M257 HydrophobicContact CG-CE 3.63Å; P231-M257 HydrophobicContact CG-SD 4.08Å; P231-I268 VanDerWaalsContact CD-CG2 3.47Å; P231-I268 HydrophobicContact CG-CG2 3.48Å; P231-I268 VanDerWaalsContact CG-CG2 3.48Å; P231-F270 HydrophobicContact CG-CD1 3.93Å; P231-F270 HydrophobicContact CG-CE1 3.92Å; P231-L271 WeakPolarHBondContact O-CG 3.36Å; P231-L271 PolarHBondContact O-N 3.15Å; P231-L271 VanDerWaalsContact O-N 3.09Å
232N98.8Very high98.3Very high10 Ų1028.5 Ų28.55%0.05316%0.163CC..PPolyproline II helixtrans-63.1151.7157.554.4-79.2000110.4I191 T206 L271I191-N232 WeakPolarHBondContact CB-OD1 3.48Å; I191-N232 PolarHBondContact N-OD1 3.31Å; T206-N232 PolarHBondContact OG1-ND2 2.95Å; N232-L271 HydrophobicContact CB-CD1 4.17Å
233M98.8Very high98Very high3 Ų336.1 Ų36.12%0.01520%0.195CC..PPolyproline II helixtrans-66.8154.4157.9-64.2177.1-178.800108.7T235 F270 Q275 H283 L284 I287 F302M233-T235 HydrophobicContact CB-CG2 4.03Å; M233-T235 PolarHBondContact O-N 3.06Å; M233-F270 HydrophobicContact CB-CD1 4.46Å; M233-F270 HydrophobicContact CE-CB 3.88Å; M233-F270 HydrophobicContact CE-CG 4.14Å; M233-F270 HydrophobicContact CG-CB 4.19Å; M233-F270 HydrophobicContact CG-CD1 3.61Å; M233-F270 HydrophobicContact CG-CE1 4.19Å; M233-F270 HydrophobicContact CG-CG 3.98Å; M233-Q275 PolarHBondContact SD-NE2 3.07Å; M233-H283 HydrophobicContact CE-CB 4.31Å; M233-H283 HydrophobicContact SD-CB 3.58Å; M233-H283 VanDerWaalsContact SD-CB 3.58Å; M233-L284 HydrophobicContact CE-CB 3.98Å; M233-L284 HydrophobicContact CE-CD1 4.5Å; M233-I287 HydrophobicContact CE-CD1 4Å; M233-I287 HydrophobicContact CG-CD1 3.87Å; M233-I287 HydrophobicContact SD-CD1 3.91Å; M233-F302 HydrophobicContact CE-CE1 4.49Å; M233-F302 HydrophobicContact CE-CZ 4.11Å
234V98.8Very high97.9Very high0 Ų036.8 Ų36.80%020%0.197CC..  trans-83.4101.2172.6178.80000107.7L199 C202 Q203 T206 V249 A252 S253 A256L199-V234 HydrophobicContact CD1-CG1 3.92Å; L199-V234 WeakPolarHBondContact CD1-O 3.45Å; C202-V234 HydrophobicContact CB-CG1 4.17Å; Q203-V234 HydrophobicContact CB-CG1 3.65Å; Q203-V234 HydrophobicContact CG-CG1 4.14Å; T206-V234 HydrophobicContact CG2-CG2 4.01Å; V234-V249 WeakPolarHBondContact O-CG1 3.43Å; V234-A252 HydrophobicContact CB-CB 4.1Å; V234-A252 HydrophobicContact CG1-CB 3.67Å; V234-S253 PolarHBondContact N-OG 3.49Å; V234-A256 HydrophobicContact CG2-CB 3.97Å
235T98.5Very high97.8Very high19 Ų1937.2 Ų37.212%0.11720%0.203CC..  trans-124.7157.2-178.960.30000110.1C202 M233 V249C202-T235 WeakPolarHBondContact CB-O 3.39Å; C202-T235 PolarHBondContact SG-O 3.45Å; M233-T235 HydrophobicContact CB-CG2 4.03Å; M233-T235 PolarHBondContact O-N 3.06Å; T235-V249 HydrophobicContact CG2-CG1 3.99Å; T235-V249 HydrophobicContact CG2-CG2 4.48Å
236P98.1Very high97.6Very high28 Ų2835.4 Ų35.418%0.18220%0.197CC..  trans-59.6160.5164.732.2-40.5000110.9C240 Y244P236-C240 HydrophobicContact CB-CB 3.76Å; P236-Y244 HydrophobicContact CB-CD2 3.79Å; P236-Y244 HydrophobicContact CB-CE2 3.83Å; P236-Y244 HydrophobicContact CG-CD2 3.74Å; P236-Y244 HydrophobicContact CG-CE2 4.32Å
237G97.6Very high97.6Very high4 Ų437 Ų374%0.04120%0.204CC..  trans-62.7151.6170.300000111.4P193 G195 H197 S239 C240P193-G237 CarbonylContact O-C 3.47Å; P193-G237 WeakPolarHBondContact O-CA 3.44Å; G195-G237 CarbonylContact O-C 3.23Å; G195-G237 VanDerWaalsContact O-C 3.23Å; G195-G237 WeakPolarHBondContact O-CA 3.42Å; H197-G237 WeakPolarHBondContact NE2-CA 3.42Å; H197-G237 PolarHBondContact NE2-N 3.13Å; H197-G237 PolarHBondContact O-N 2.64Å; G237-S239 PolarHBondContact O-N 2.81Å; G237-S239 VanDerWaalsContact O-N 3.11Å; G237-C240 WeakPolarHBondContact O-CB 3.4Å; G237-C240 PolarHBondContact O-N 3.47Å
238H95.9Very high97.5Very high111 Ų11140.1 Ų40.151%0.51422%0.219SC..THydrogen-bonded Turntrans-56.3-30.4-177.9-73.5167.9000113.6P193 G195P193-H238 WeakPolarHBondContact CG-CE1 3.32Å; P193-H238 WeakPolarHBondContact CG-NE2 3.43Å; P193-H238 PolarHBondContact O-N 3.39Å; G195-H238 PolarHBondContact O-N 3.42Å
239S96.6Very high97.5Very high87 Ų8740.2 Ų40.261%0.60822%0.219SC*.THydrogen-bonded Turntrans-98.17.5179.5-58.30000113.1G195 G237G195-S239 WeakPolarHBondContact O-CB 3.24Å; G195-S239 PolarHBondContact O-N 3.08Å; G237-S239 PolarHBondContact O-N 2.81Å; G237-S239 VanDerWaalsContact O-N 3.11Å
240C97.6Very high97.5Very high5 Ų540.2 Ų40.23%0.03422%0.219CC..  trans-64.3127.6179.4-1700000110.3P236 G237 T242P236-C240 HydrophobicContact CB-CB 3.76Å; G237-C240 WeakPolarHBondContact O-CB 3.4Å; G237-C240 PolarHBondContact O-N 3.47Å; C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.39Å
241P96.6Very high97.4Very high110 Ų11040.1 Ų40.171%0.71422%0.219SC*.SBendtrans-71-28.9178.728.2-34.3000112
242T97Very high97.4Very high71 Ų7140 Ų4044%0.43622%0.219SC..SBendtrans-76.1130.6179-54.10000110.6C240 Y244C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.39Å; T242-Y244 HydrophobicContact CG2-CD2 4.3Å; T242-Y244 HydrophobicContact CG2-CE1 4.12Å; T242-Y244 HydrophobicContact CG2-CE2 3.63Å
243K93.8Very high97.4Very high172 Ų17239.6 Ų39.675%0.74822%0.216SC*.  trans-96.2141.6173.4-57.4-53.2-179.8-166.30109.6
244Y95.9Very high97.4Very high55 Ų5539.6 Ų39.622%0.21622%0.216CC..  trans-123.9146.3-179.8-64.4-87.8000109.1L199 P236 T242 E248L199-Y244 HydrophobicContact CB-CD1 3.92Å; L199-Y244 HydrophobicContact CB-CD2 4.09Å; L199-Y244 HydrophobicContact CB-CE1 3.64Å; L199-Y244 HydrophobicContact CB-CE2 3.83Å; L199-Y244 HydrophobicContact CB-CG 4.12Å; L199-Y244 HydrophobicContact CD2-CD1 3.6Å; L199-Y244 HydrophobicContact CD2-CE1 4.01Å; L199-Y244 HydrophobicContact CD2-CG 4.01Å; L199-Y244 HydrophobicContact CG-CD1 4.39Å; L199-Y244 HydrophobicContact CG-CE1 4.49Å; P236-Y244 HydrophobicContact CB-CD2 3.79Å; P236-Y244 HydrophobicContact CB-CE2 3.83Å; P236-Y244 HydrophobicContact CG-CD2 3.74Å; P236-Y244 HydrophobicContact CG-CE2 4.32Å; T242-Y244 HydrophobicContact CG2-CD2 4.3Å; T242-Y244 HydrophobicContact CG2-CE1 4.12Å; T242-Y244 HydrophobicContact CG2-CE2 3.63Å; Y244-E248 VanDerWaalsContact CA-OE2 3.23Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.22Å; Y244-E248 HydrophobicContact CD1-CB 4.43Å
245S96.5Very high97.5Very high39 Ų3940.1 Ų40.127%0.27322%0.219SC..  trans-75.9160.9175.993.90000111.5E247 E248 V249S245-E247 WeakPolarHBondContact CB-OE2 3.48Å; S245-E247 PolarHBondContact O-N 3.09Å; S245-E247 PolarHBondContact OG-N 2.79Å; S245-E247 VanDerWaalsContact OG-N 3.17Å; S245-E247 PolarHBondContact OG-OE2 2.9Å; S245-E248 PolarHBondContact N-OE2 2.72Å; S245-E248 PolarHBondContact O-N 2.86Å; S245-E248 VanDerWaalsContact O-N 3.14Å; S245-E248 PolarHBondContact OG-N 3.27Å; S245-V249 PolarHBondContact O-N 2.77Å; S245-V249 VanDerWaalsContact O-N 3.11Å
246P96.8Very high97.5Very high23 Ų2339.2 Ų39.215%0.14921%0.214CC..Hα-helixtrans-53.9-35170.4-2937.9000113.9A250 V282 A286 Y349P246-A250 WeakPolarHBondContact O-CB 3.26Å; P246-A250 PolarHBondContact O-N 3.35Å; P246-V282 HydrophobicContact CB-CG1 3.84Å; P246-V282 HydrophobicContact CG-CG1 3.57Å; P246-A286 HydrophobicContact CB-CB 3.84Å; P246-A286 WeakPolarHBondContact O-CB 3.18Å; P246-Y349 HydrophobicContact CG-CE1 4.46Å
247E97.1Very high97.5Very high34 Ų3438 Ų3816%0.15921%0.206CC..Hα-helixtrans-68-38.1178-65.266.4-145.500111.9S245 A250 M251 R355 F357S245-E247 WeakPolarHBondContact CB-OE2 3.48Å; S245-E247 PolarHBondContact O-N 3.09Å; S245-E247 PolarHBondContact OG-N 2.79Å; S245-E247 VanDerWaalsContact OG-N 3.17Å; S245-E247 PolarHBondContact OG-OE2 2.9Å; E247-A250 PolarHBondContact O-N 3.3Å; E247-M251 WeakPolarHBondContact O-CB 3.31Å; E247-M251 PolarHBondContact O-N 3.46Å; E247-R355 HydrophobicContact CG-CB 4.07Å; E247-F357 HydrophobicContact CB-CD1 3.71Å; E247-F357 HydrophobicContact CB-CE1 3.88Å; E247-F357 HydrophobicContact CB-CG 4.14Å; E247-F357 HydrophobicContact CB-CZ 4.45Å; E247-F357 HydrophobicContact CG-CD1 4.12Å; E247-F357 HydrophobicContact CG-CD2 4.37Å; E247-F357 HydrophobicContact CG-CE1 3.95Å; E247-F357 HydrophobicContact CG-CE2 4.23Å; E247-F357 HydrophobicContact CG-CG 4.33Å; E247-F357 HydrophobicContact CG-CZ 4.01Å
248E97.9Very high97.6Very high64 Ų6443.2 Ų43.230%0.29922%0.224SC..Hα-helixtrans-68.1-43.7175.4-62.5-178.298.900111.3L199 Y244 S245 A250 M251 A252 Y363L199-E248 HydrophobicContact CD2-CB 4.01Å; Y244-E248 VanDerWaalsContact CA-OE2 3.23Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.22Å; Y244-E248 HydrophobicContact CD1-CB 4.43Å; S245-E248 PolarHBondContact N-OE2 2.72Å; S245-E248 PolarHBondContact O-N 2.86Å; S245-E248 VanDerWaalsContact O-N 3.14Å; S245-E248 PolarHBondContact OG-N 3.27Å; E248-A250 VanDerWaalsContact C-N 3.28Å; E248-A250 PolarHBondContact O-N 2.89Å; E248-M251 PolarHBondContact O-N 3.32Å; E248-A252 WeakPolarHBondContact O-CB 3.4Å; E248-A252 PolarHBondContact O-N 3.34Å; E248-Y363 WeakPolarHBondContact CG-OH 3.46Å
249V98.3Very high97.7Very high3 Ų344 Ų442%0.01822%0.223CC..Hα-helixtrans-57.9-43.3172.5166.70000110.6L199 V234 T235 S245 S253 H283L199-V249 HydrophobicContact CD1-CG2 4.39Å; V234-V249 WeakPolarHBondContact O-CG1 3.43Å; T235-V249 HydrophobicContact CG2-CG1 3.99Å; T235-V249 HydrophobicContact CG2-CG2 4.48Å; S245-V249 PolarHBondContact O-N 2.77Å; S245-V249 VanDerWaalsContact O-N 3.11Å; V249-S253 WeakPolarHBondContact O-CB 3.35Å; V249-S253 PolarHBondContact O-N 3.29Å; V249-S253 PolarHBondContact O-OG 2.85Å; V249-H283 HydrophobicContact CG1-CB 4.29Å
250A98.6Very high97.8Very high0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-65.9-45.6177.900000112.8P246 E247 E248 S253 V254 A286 I287 C290 F357P246-A250 WeakPolarHBondContact O-CB 3.26Å; P246-A250 PolarHBondContact O-N 3.35Å; E247-A250 PolarHBondContact O-N 3.3Å; E248-A250 VanDerWaalsContact C-N 3.28Å; E248-A250 PolarHBondContact O-N 2.89Å; A250-S253 PolarHBondContact O-N 3.27Å; A250-V254 WeakPolarHBondContact O-CB 3.44Å; A250-V254 VanDerWaalsContact O-CG2 3.31Å; A250-V254 WeakPolarHBondContact O-CG2 3.47Å; A250-V254 PolarHBondContact O-N 3.08Å; A250-A286 HydrophobicContact CB-CB 3.77Å; A250-A286 WeakPolarHBondContact CB-O 3.29Å; A250-I287 HydrophobicContact CB-CB 4.48Å; A250-I287 HydrophobicContact CB-CG1 3.98Å; A250-C290 HydrophobicContact CB-CB 4.44Å; A250-F357 HydrophobicContact CB-CE1 3.93Å
251M98.6Very high97.9Very high3 Ų341.1 Ų41.12%0.01520%0.201CC..Hα-helixtrans-62.2-47.4178-176.957.668.800111E247 E248 T255 P291 L292 F357 C360 Y363E247-M251 WeakPolarHBondContact O-CB 3.31Å; E247-M251 PolarHBondContact O-N 3.46Å; E248-M251 PolarHBondContact O-N 3.32Å; M251-T255 WeakPolarHBondContact O-CB 3.36Å; M251-T255 PolarHBondContact O-N 3.22Å; M251-T255 PolarHBondContact O-OG1 3.26Å; M251-P291 HydrophobicContact CE-CG 4.49Å; M251-L292 HydrophobicContact CE-CG 4.37Å; M251-L292 HydrophobicContact SD-CD1 3.57Å; M251-L292 VanDerWaalsContact SD-CD1 3.57Å; M251-L292 HydrophobicContact SD-CG 4.05Å; M251-F357 HydrophobicContact CE-CB 3.7Å; M251-F357 HydrophobicContact CE-CD1 4.35Å; M251-F357 HydrophobicContact CE-CG 4.4Å; M251-C360 HydrophobicContact CE-CB 4.26Å; M251-C360 HydrophobicContact SD-CB 3.75Å; M251-Y363 HydrophobicContact CB-CD1 4.48Å; M251-Y363 HydrophobicContact CB-CD2 4.45Å; M251-Y363 HydrophobicContact CB-CE1 4.22Å; M251-Y363 HydrophobicContact CB-CE2 4.19Å; M251-Y363 HydrophobicContact CG-CD1 4.14Å; M251-Y363 HydrophobicContact CG-CD2 3.44Å; M251-Y363 VanDerWaalsContact CG-CD2 3.44Å; M251-Y363 HydrophobicContact CG-CE1 4.19Å; M251-Y363 HydrophobicContact CG-CE2 3.51Å; M251-Y363 HydrophobicContact CG-CG 3.78Å
252A98.8Very high98Very high0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-62.4-44.5177.500000111.7L199 Q203 V234 E248 A256 Y363L199-A252 HydrophobicContact CD1-CB 4.1Å; L199-A252 HydrophobicContact CD2-CB 4.01Å; L199-A252 HydrophobicContact CG-CB 3.98Å; Q203-A252 HydrophobicContact CG-CB 4.44Å; V234-A252 HydrophobicContact CB-CB 4.1Å; V234-A252 HydrophobicContact CG1-CB 3.67Å; E248-A252 WeakPolarHBondContact O-CB 3.4Å; E248-A252 PolarHBondContact O-N 3.34Å; A252-A256 WeakPolarHBondContact O-CB 3.24Å; A252-A256 PolarHBondContact O-N 2.85Å; A252-Y363 HydrophobicContact CB-CD1 3.88Å; A252-Y363 HydrophobicContact CB-CE1 4.21Å
253S98.8Very high98.1Very high0 Ų038.9 Ų38.90%019%0.188CC..Hα-helixtrans-63.1-51.6178.9-630000111.9V234 V249 A250 T255 A256 M257V234-S253 PolarHBondContact N-OG 3.49Å; V249-S253 WeakPolarHBondContact O-CB 3.35Å; V249-S253 PolarHBondContact O-N 3.29Å; V249-S253 PolarHBondContact O-OG 2.85Å; A250-S253 PolarHBondContact O-N 3.27Å; S253-T255 VanDerWaalsContact C-N 3.33Å; S253-T255 PolarHBondContact O-N 3.48Å; S253-A256 PolarHBondContact O-N 3.38Å; S253-M257 VanDerWaalsContact O-CG 3.31Å; S253-M257 WeakPolarHBondContact O-CG 3.47Å; S253-M257 PolarHBondContact O-N 2.79Å
254V98.8Very high98.3Very high4 Ų432.5 Ų32.52%0.02417%0.167CC..Hα-helixtrans-66.6-36.8-178.6174.10000111.1A250 M257 R258 I287 C290 L292 K294 L298A250-V254 WeakPolarHBondContact O-CB 3.44Å; A250-V254 VanDerWaalsContact O-CG2 3.31Å; A250-V254 WeakPolarHBondContact O-CG2 3.47Å; A250-V254 PolarHBondContact O-N 3.08Å; V254-M257 PolarHBondContact O-N 2.8Å; V254-R258 HydrophobicContact CG1-CG 4.23Å; V254-R258 WeakPolarHBondContact O-CB 3.3Å; V254-R258 WeakPolarHBondContact O-CG 3.44Å; V254-R258 PolarHBondContact O-N 3.2Å; V254-I287 HydrophobicContact CG2-CG2 4Å; V254-C290 HydrophobicContact CB-CB 4.44Å; V254-C290 HydrophobicContact CG2-CB 3.92Å; V254-L292 HydrophobicContact CG1-CB 3.9Å; V254-L292 HydrophobicContact CG1-CD1 4.22Å; V254-K294 HydrophobicContact CG1-CG 3.96Å; V254-K294 HydrophobicContact CG2-CD 4.41Å; V254-L298 HydrophobicContact CG2-CD1 4.2Å
255T98.9Very high98.5Very high10 Ų1030 Ų306%0.06116%0.157CC..Hα-helixtrans-63.3-47.7175.6-62.70000111.6M251 S253 M257 R258 R259M251-T255 WeakPolarHBondContact O-CB 3.36Å; M251-T255 PolarHBondContact O-N 3.22Å; M251-T255 PolarHBondContact O-OG1 3.26Å; S253-T255 VanDerWaalsContact C-N 3.33Å; S253-T255 PolarHBondContact O-N 3.48Å; T255-M257 PolarHBondContact O-N 2.93Å; T255-R258 PolarHBondContact O-N 3.12Å; T255-R259 VanDerWaalsContact CG2-CZ 3.48Å; T255-R259 WeakPolarHBondContact O-CG 3.32Å; T255-R259 PolarHBondContact O-N 3.14Å
256A98.9Very high98.6Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-57.8-48.2176.500000111.4Q203 T206 E207 V234 A252 S253 R258 R259 T260Q203-A256 HydrophobicContact CG-CB 4.02Å; T206-A256 HydrophobicContact CG2-CB 4.17Å; E207-A256 HydrophobicContact CG-CB 3.88Å; V234-A256 HydrophobicContact CG2-CB 3.97Å; A252-A256 WeakPolarHBondContact O-CB 3.24Å; A252-A256 PolarHBondContact O-N 2.85Å; S253-A256 PolarHBondContact O-N 3.38Å; A256-R258 PolarHBondContact O-N 3.04Å; A256-R259 PolarHBondContact O-N 3.04Å; A256-T260 PolarHBondContact O-N 2.95Å; A256-T260 PolarHBondContact O-OG1 3.1Å
257M98.8Very high98.7Very high2 Ų227.6 Ų27.61%0.0114%0.141CC..Hα-helixtrans-62.4-43.2178.8-60.5-56.5147.200112T206 L210 L229 P231 S253 V254 T255 R259 T260 V261 I268 F270 W296T206-M257 HydrophobicContact CG2-CE 4.12Å; L210-M257 HydrophobicContact CD1-CE 3.72Å; L210-M257 HydrophobicContact CD1-SD 3.5Å; L210-M257 VanDerWaalsContact CD1-SD 3.5Å; L229-M257 HydrophobicContact CD2-SD 4.04Å; P231-M257 HydrophobicContact CB-CE 3.79Å; P231-M257 HydrophobicContact CG-CE 3.63Å; P231-M257 HydrophobicContact CG-SD 4.08Å; S253-M257 VanDerWaalsContact O-CG 3.31Å; S253-M257 WeakPolarHBondContact O-CG 3.47Å; S253-M257 PolarHBondContact O-N 2.79Å; V254-M257 PolarHBondContact O-N 2.8Å; T255-M257 PolarHBondContact O-N 2.93Å; M257-R259 PolarHBondContact O-N 2.89Å; M257-T260 PolarHBondContact O-N 2.89Å; M257-V261 HydrophobicContact CB-CG2 4.03Å; M257-V261 WeakPolarHBondContact O-CB 3.46Å; M257-V261 WeakPolarHBondContact O-CG2 3.28Å; M257-V261 PolarHBondContact O-N 2.71Å; M257-V261 HydrophobicContact SD-CG2 3.82Å; M257-I268 HydrophobicContact CB-CD1 3.99Å; M257-I268 HydrophobicContact CG-CD1 3.87Å; M257-I268 HydrophobicContact SD-CD1 4.01Å; M257-F270 HydrophobicContact CE-CE1 4.15Å; M257-W296 HydrophobicContact CB-CZ3 4.13Å
258R98.8Very high98.7Very high115 Ų11526 Ų2643%0.43413%0.134SC..Hα-helixtrans-61-30.5177.3-77.1171.457.768.95.8113.5V254 T255 A256 A293 W296V254-R258 HydrophobicContact CG1-CG 4.23Å; V254-R258 WeakPolarHBondContact O-CB 3.3Å; V254-R258 WeakPolarHBondContact O-CG 3.44Å; V254-R258 PolarHBondContact O-N 3.2Å; T255-R258 PolarHBondContact O-N 3.12Å; A256-R258 PolarHBondContact O-N 3.04Å; R258-A293 WeakPolarHBondContact CD-O 3.43Å; R258-A293 PolarHBondContact NH1-O 2.93Å; R258-W296 HydrophobicContact CG-CZ3 4.28Å
259R98.8Very high98.8Very high128 Ų12823 Ų2348%0.48312%0.12SC..Hα-helixtrans-79.4-18.7179.6-75.5172.5172.8164.74.1113.5E207 T255 A256 M257 Y363E207-R259 VanDerWaalsContact CD-CD 3.47Å; E207-R259 WeakPolarHBondContact OE1-CD 3.47Å; E207-R259 IonicContact OE1-CZ 3.6Å; E207-R259 IonicContact OE1-NE 3.7Å; E207-R259 IonicContact OE1-NH1 2.64Å; E207-R259 PolarHBondContact OE1-NH1 3.35Å; E207-R259 IonicContact OE2-NH1 3.05Å; T255-R259 VanDerWaalsContact CG2-CZ 3.48Å; T255-R259 WeakPolarHBondContact O-CG 3.32Å; T255-R259 PolarHBondContact O-N 3.14Å; A256-R259 PolarHBondContact O-N 3.04Å; M257-R259 PolarHBondContact O-N 2.89Å; R259-Y363 PolarHBondContact NH1-O 2.68Å; R259-Y363 PolarHBondContact NH1-OXT 2.74Å; R259-Y363 PolarHBondContact NH2-O 3.41Å
260T98.9Very high98.8Very high22 Ų2222.9 Ų22.914%0.13512%0.119CC..Hα-helixtrans-133.7-27-167.360.60000116.2E207 L210 A211 Y214 A256 M257E207-T260 HydrophobicContact CB-CG2 4.13Å; E207-T260 HydrophobicContact CG-CG2 4.37Å; E207-T260 WeakPolarHBondContact O-CG2 3.17Å; L210-T260 HydrophobicContact CB-CG2 4.2Å; L210-T260 VanDerWaalsContact CB-OG1 3.29Å; L210-T260 WeakPolarHBondContact CB-OG1 3.47Å; L210-T260 WeakPolarHBondContact CD1-OG1 3.22Å; A211-T260 HydrophobicContact CB-CG2 4.35Å; Y214-T260 WeakPolarHBondContact CD2-O 3.25Å; A256-T260 PolarHBondContact O-N 2.95Å; A256-T260 PolarHBondContact O-OG1 3.1Å; M257-T260 PolarHBondContact O-N 2.89Å
261V98.9Very high98.8Very high8 Ų823.3 Ų23.35%0.04812%0.121CC..SBendtrans-88.2128.4-176.5-175.40000108.6L210 Y214 L229 M257 V265 I268 W296L210-V261 HydrophobicContact CD1-CG2 4.45Å; Y214-V261 HydrophobicContact CE2-CB 4.11Å; Y214-V261 HydrophobicContact CE2-CG1 4.05Å; Y214-V261 HydrophobicContact CE2-CG2 3.81Å; Y214-V261 WeakPolarHBondContact OH-CG1 3.47Å; L229-V261 HydrophobicContact CD2-CG2 3.89Å; M257-V261 HydrophobicContact CB-CG2 4.03Å; M257-V261 WeakPolarHBondContact O-CB 3.46Å; M257-V261 WeakPolarHBondContact O-CG2 3.28Å; M257-V261 PolarHBondContact O-N 2.71Å; M257-V261 HydrophobicContact SD-CG2 3.82Å; V261-V265 HydrophobicContact CG1-CB 4.1Å; V261-V265 HydrophobicContact CG1-CG2 3.93Å; V261-I268 HydrophobicContact CG1-CD1 4.31Å; V261-I268 HydrophobicContact CG2-CD1 4.16Å; V261-W296 HydrophobicContact CB-CH2 3.88Å; V261-W296 HydrophobicContact CB-CZ2 3.68Å; V261-W296 HydrophobicContact CB-CZ3 4.4Å; V261-W296 HydrophobicContact CG1-CD2 4.14Å; V261-W296 HydrophobicContact CG1-CH2 4.4Å; V261-W296 HydrophobicContact CG1-CZ2 3.77Å; V261-W296 WeakPolarHBondContact O-CH2 3.49Å; V261-W296 WeakPolarHBondContact O-CZ2 3.31Å
262P98.9Very high98.7Very high40 Ų4023.4 Ų23.426%0.2612%0.122SC..  trans-71141.5172.2-23.736.5000112.2Y214 L224 A264 V265 W296Y214-P262 VanDerWaalsContact CD1-CD 3.43Å; Y214-P262 HydrophobicContact CD1-CG 3.97Å; Y214-P262 HydrophobicContact CE1-CG 4.5Å; Y214-P262 HydrophobicContact CG-CG 4.2Å; L224-P262 HydrophobicContact CD1-CB 3.83Å; L224-P262 HydrophobicContact CD1-CG 3.74Å; P262-A264 PolarHBondContact O-N 3.01Å; P262-V265 PolarHBondContact O-N 3.02Å; P262-V265 VanDerWaalsContact O-N 3.13Å; P262-W296 PolarHBondContact O-NE1 3.36Å
263P98.8Very high98.5Very high94 Ų9424 Ų2461%0.6113%0.128SC*.THydrogen-bonded Turntrans-57.6-16.3176.7-27.436000115.7V265 P295P263-V265 VanDerWaalsContact C-N 3.27Å; P263-V265 PolarHBondContact O-N 3.27Å; P263-P295 HydrophobicContact CB-CB 4.11Å; P263-P295 HydrophobicContact CB-CG 4.17Å; P263-P295 HydrophobicContact CG-CG 4.25Å
264A98.9Very high98Very high38 Ų3825.3 Ų25.331%0.31414%0.142SC..THydrogen-bonded Turntrans-69.8-21.4177.400000113.6L224 E225 P262L224-A264 HydrophobicContact CB-CB 4.09Å; L224-A264 HydrophobicContact CD1-CB 4.49Å; E225-A264 WeakPolarHBondContact CA-O 3.5Å; E225-A264 HydrophobicContact CG-CB 4.3Å; E225-A264 WeakPolarHBondContact CG-O 3.11Å; E225-A264 PolarHBondContact N-O 3.24Å; P262-A264 PolarHBondContact O-N 3.01Å
265V98.9Very high97.9Very high2 Ų226.1 Ų26.11%0.01215%0.145CC..  trans-61.7139.5171179.70000107.9Y214 L224 V261 P262 P263Y214-V265 HydrophobicContact CE1-CG2 3.62Å; L224-V265 HydrophobicContact CB-CG2 4.17Å; L224-V265 HydrophobicContact CD1-CG2 4.49Å; V261-V265 HydrophobicContact CG1-CB 4.1Å; V261-V265 HydrophobicContact CG1-CG2 3.93Å; P262-V265 PolarHBondContact O-N 3.02Å; P262-V265 VanDerWaalsContact O-N 3.13Å; P263-V265 VanDerWaalsContact C-N 3.27Å; P263-V265 PolarHBondContact O-N 3.27Å
266P98.8Very high97.8Very high13 Ų1328.6 Ų28.68%0.08416%0.163CC..  trans-84-32.8-18027.2-31.6000112.6A20 L21 L224 E225 S227 L228 V297A20-P266 HydrophobicContact CB-CG 3.66Å; L21-P266 HydrophobicContact CD2-CB 3.91Å; L224-P266 WeakPolarHBondContact O-CD 3.35Å; E225-P266 WeakPolarHBondContact O-CG 3.33Å; S227-P266 WeakPolarHBondContact O-CD 3.31Å; S227-P266 WeakPolarHBondContact O-CG 3.46Å; L228-P266 HydrophobicContact CD2-CG 3.98Å; P266-V297 PolarHBondContact O-N 3.11Å; P266-V297 VanDerWaalsContact O-N 3.15Å
267G98.8Very high97.7Very high0 Ų029.6 Ų29.60%017%0.168CC..EExtended strand (participates in β ladder)trans-159.1153.1-175.800000115.4L229 V297L229-G267 PolarHBondContact N-O 3.11Å; G267-V297 CarbonylContact C-O 3.49Å; G267-V297 VanDerWaalsContact CA-O 3.3Å; G267-V297 WeakPolarHBondContact CA-O 3.5Å
268I98.9Very high97.7Very high0 Ų031.5 Ų31.50%018%0.177CC..EExtended strand (participates in β ladder)trans-116113.1174.4-54.9-177.4000107.5L229 P231 M257 V261 F270 W296 V297 L298 T299L229-I268 HydrophobicContact CB-CG1 4.42Å; L229-I268 HydrophobicContact CD2-CD1 4.45Å; L229-I268 HydrophobicContact CD2-CG1 4.45Å; L229-I268 HydrophobicContact CD2-CG2 4.36Å; L229-I268 CarbonylContact O-C 3.54Å; L229-I268 WeakPolarHBondContact O-CA 3.26Å; P231-I268 VanDerWaalsContact CD-CG2 3.47Å; P231-I268 HydrophobicContact CG-CG2 3.48Å; P231-I268 VanDerWaalsContact CG-CG2 3.48Å; M257-I268 HydrophobicContact CB-CD1 3.99Å; M257-I268 HydrophobicContact CG-CD1 3.87Å; M257-I268 HydrophobicContact SD-CD1 4.01Å; V261-I268 HydrophobicContact CG1-CD1 4.31Å; V261-I268 HydrophobicContact CG2-CD1 4.16Å; I268-F270 HydrophobicContact CG2-CD1 4.48Å; I268-F270 HydrophobicContact CG2-CD2 4.36Å; I268-F270 HydrophobicContact CG2-CE1 4.17Å; I268-F270 HydrophobicContact CG2-CE2 4.01Å; I268-F270 HydrophobicContact CG2-CZ 3.91Å; I268-W296 HydrophobicContact CD1-CB 4.38Å; I268-W296 HydrophobicContact CD1-CD2 4.03Å; I268-W296 HydrophobicContact CD1-CE3 3.88Å; I268-W296 HydrophobicContact CD1-CG 4.2Å; I268-W296 HydrophobicContact CG1-CB 4.17Å; I268-W296 HydrophobicContact CG1-CG 4.27Å; I268-V297 PolarHBondContact N-O 3.49Å; I268-L298 HydrophobicContact CB-CD2 3.74Å; I268-L298 HydrophobicContact CD1-CD2 3.77Å; I268-L298 HydrophobicContact CG1-CD2 4.01Å; I268-L298 HydrophobicContact CG2-CD2 4.47Å; I268-T299 PolarHBondContact O-N 2.65Å
269C98.8Very high97.6Very high0 Ų029.3 Ų29.30%017%0.171CC..EExtended strand (participates in β ladder)trans-106.884.8-177-52.30000109.4V24 I30 L229 K230 T299 S301V24-C269 VanDerWaalsContact CG1-SG 3.5Å; I30-C269 HydrophobicContact CD1-CB 4.07Å; L229-C269 PolarHBondContact O-N 3.46Å; K230-C269 WeakPolarHBondContact CA-O 3.46Å; K230-C269 VanDerWaalsContact CG-O 3.29Å; K230-C269 WeakPolarHBondContact CG-O 3.31Å; C269-T299 CarbonylContact C-O 3.56Å; C269-T299 WeakPolarHBondContact CA-O 3.35Å; C269-T299 HydrophobicContact CB-CG2 4.22Å; C269-S301 WeakPolarHBondContact O-CB 3.33Å
270F98.9Very high97.5Very high1 Ų123.2 Ų23.20%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-54.2138.4-173.3-70.1-80.3000113.1P231 M233 M257 I268 L284 I287 L298 T299 S301 F302P231-F270 HydrophobicContact CG-CD1 3.93Å; P231-F270 HydrophobicContact CG-CE1 3.92Å; M233-F270 HydrophobicContact CB-CD1 4.46Å; M233-F270 HydrophobicContact CE-CB 3.88Å; M233-F270 HydrophobicContact CE-CG 4.14Å; M233-F270 HydrophobicContact CG-CB 4.19Å; M233-F270 HydrophobicContact CG-CD1 3.61Å; M233-F270 HydrophobicContact CG-CE1 4.19Å; M233-F270 HydrophobicContact CG-CG 3.98Å; M257-F270 HydrophobicContact CE-CE1 4.15Å; I268-F270 HydrophobicContact CG2-CD1 4.48Å; I268-F270 HydrophobicContact CG2-CD2 4.36Å; I268-F270 HydrophobicContact CG2-CE1 4.17Å; I268-F270 HydrophobicContact CG2-CE2 4.01Å; I268-F270 HydrophobicContact CG2-CZ 3.91Å; F270-L284 HydrophobicContact CD2-CD1 4.08Å; F270-I287 HydrophobicContact CE1-CD1 4.46Å; F270-I287 HydrophobicContact CE2-CD1 4.16Å; F270-I287 HydrophobicContact CE2-CG2 3.95Å; F270-I287 HydrophobicContact CZ-CD1 4.13Å; F270-I287 HydrophobicContact CZ-CG2 4.31Å; F270-L298 HydrophobicContact CE2-CB 4.26Å; F270-L298 HydrophobicContact CE2-CD2 4.22Å; F270-T299 WeakPolarHBondContact CD2-O 3.46Å; F270-T299 PolarHBondContact N-O 2.93Å; F270-S301 CarbonylContact O-C 3.5Å; F270-S301 PolarHBondContact O-N 3.23Å; F270-F302 HydrophobicContact CB-CE1 4.42Å; F270-F302 VanDerWaalsContact O-CD1 3.23Å; F270-F302 WeakPolarHBondContact O-CD1 3.37Å; F270-F302 WeakPolarHBondContact O-CE1 3.32Å
271L98.6Very high97.5Very high9 Ų922.1 Ų22.15%0.04714%0.142CC..  trans-77.1145.9162.463.291.1000109.8E188 E190 K230 P231 N232 G273E188-L271 HydrophobicContact CG-CD2 4.11Å; E190-L271 HydrophobicContact CB-CD2 3.66Å; E190-L271 HydrophobicContact CG-CD1 4.04Å; E190-L271 HydrophobicContact CG-CD2 3.61Å; K230-L271 HydrophobicContact CG-CB 4.14Å; K230-L271 HydrophobicContact CG-CD2 4.43Å; P231-L271 WeakPolarHBondContact O-CG 3.36Å; P231-L271 PolarHBondContact O-N 3.15Å; P231-L271 VanDerWaalsContact O-N 3.09Å; N232-L271 HydrophobicContact CB-CD1 4.17Å; L271-G273 VanDerWaalsContact C-N 3.29Å; L271-G273 VanDerWaalsContact CD1-N 3.28Å
272S97.1Very high97.5Very high6 Ų622.3 Ų22.34%0.04214%0.143CC..  trans-77.8-16.7177.564.90000112.9G274 Q275 A305S272-G274 PolarHBondContact O-N 3.07Å; S272-Q275 VanDerWaalsContact O-CB 3.26Å; S272-Q275 WeakPolarHBondContact O-CB 3.19Å; S272-Q275 VanDerWaalsContact O-CG 3.29Å; S272-Q275 WeakPolarHBondContact O-CG 3.49Å; S272-Q275 PolarHBondContact O-N 2.91Å; S272-Q275 VanDerWaalsContact O-N 3.11Å; S272-Q275 PolarHBondContact O-NE2 3.1Å; S272-A305 VanDerWaalsContact CB-CB 3.47Å
273G92.7Very high97.4Very high12 Ų1221.1 Ų21.112%0.12413%0.134CC..THydrogen-bonded Turntrans55.6-134.5-176.500000110.3L271 R304L271-G273 VanDerWaalsContact C-N 3.29Å; L271-G273 VanDerWaalsContact CD1-N 3.28Å; G273-R304 PolarHBondContact O-NE 3.37Å; G273-R304 PolarHBondContact O-NH2 2.98Å
274G90.1Very high97.4Very high28 Ų2816.7 Ų16.729%0.28911%0.105SC..THydrogen-bonded Turntrans-80.3-4.7177.100000116.4S272S272-G274 PolarHBondContact O-N 3.07Å
275Q95.9Very high97.4Very high20 Ų2015.1 Ų15.19%0.0939%0.091CC..  trans-62.3150.6-173-62.917467.100112.2M233 S272 E279 A280 H283M233-Q275 PolarHBondContact SD-NE2 3.07Å; S272-Q275 VanDerWaalsContact O-CB 3.26Å; S272-Q275 WeakPolarHBondContact O-CB 3.19Å; S272-Q275 VanDerWaalsContact O-CG 3.29Å; S272-Q275 WeakPolarHBondContact O-CG 3.49Å; S272-Q275 PolarHBondContact O-N 2.91Å; S272-Q275 VanDerWaalsContact O-N 3.11Å; S272-Q275 PolarHBondContact O-NE2 3.1Å; Q275-E279 WeakPolarHBondContact CA-OE2 3.37Å; Q275-E279 HydrophobicContact CB-CB 4.29Å; Q275-E279 HydrophobicContact CB-CG 4.2Å; Q275-E279 HydrophobicContact CG-CG 4.22Å; Q275-A280 HydrophobicContact CB-CB 4.15Å; Q275-H283 PolarHBondContact OE1-ND1 2.9Å
276S96.6Very high97.4Very high62 Ų6215 Ų1543%0.4349%0.091SC..  trans-64165167.672.70000111.2E278 E279 A280S276-E278 VanDerWaalsContact C-N 3.26Å; S276-E278 PolarHBondContact O-N 3.13Å; S276-E279 PolarHBondContact N-OE2 3.42Å; S276-E279 WeakPolarHBondContact OG-CB 3.5Å; S276-E279 PolarHBondContact OG-N 3.07Å; S276-E279 VanDerWaalsContact OG-N 3.13Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.01Å; S276-A280 VanDerWaalsContact O-N 3.11Å
277E97.8Very high97.4Very high21 Ų2114.4 Ų14.410%0.0989%0.087CC..Hα-helixtrans-56.5-44.5176.4-70.5173.4128.100111.1S281 A308 S309 R312 R331E277-S281 PolarHBondContact O-N 2.83Å; E277-S281 PolarHBondContact O-OG 2.96Å; E277-A308 HydrophobicContact CG-CB 4.07Å; E277-A308 PolarHBondContact OE1-N 2.91Å; E277-S309 WeakPolarHBondContact OE1-CB 3.24Å; E277-S309 PolarHBondContact OE1-N 3.07Å; E277-S309 WeakPolarHBondContact OE2-CB 3.47Å; E277-S309 PolarHBondContact OE2-N 3.48Å; E277-S309 PolarHBondContact OE2-OG 3.23Å; E277-R312 IonicContact OE2-NH2 3.95Å; E277-R312 PolarHBondContact OE2-NH2 2.92Å; E277-R331 VanDerWaalsContact C-NH2 3.28Å; E277-R331 PolarHBondContact O-NH2 3.29Å
278E97.1Very high97.4Very high43 Ų4316 Ų1620%0.20110%0.095CC..Hα-helixtrans-70.9-48.3-177.6-172.861.1-171.300112.8S276 A280 S281 V282 R331 Y343 G346 Y349S276-E278 VanDerWaalsContact C-N 3.26Å; S276-E278 PolarHBondContact O-N 3.13Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 2.71Å; E278-S281 PolarHBondContact O-N 3.36Å; E278-S281 VanDerWaalsContact O-N 3.08Å; E278-V282 HydrophobicContact CG-CG2 4.38Å; E278-V282 WeakPolarHBondContact O-CG2 3.32Å; E278-V282 PolarHBondContact O-N 3.43Å; E278-R331 IonicContact OE2-CZ 3.86Å; E278-R331 IonicContact OE2-NH1 2.63Å; E278-R331 PolarHBondContact OE2-NH1 3.36Å; E278-R331 IonicContact OE2-NH2 3.21Å; E278-R331 PolarHBondContact OE2-NH2 3.3Å; E278-Y343 VanDerWaalsContact CD-OH 3.29Å; E278-Y343 PolarHBondContact OE1-OH 2.96Å; E278-Y343 PolarHBondContact OE2-OH 3.46Å; E278-Y343 VanDerWaalsContact OE2-OH 3.1Å; E278-G346 PolarHBondContact OE1-N 3.17Å; E278-Y349 HydrophobicContact CG-CE2 3.99Å
279E96.7Very high97.3Very high68 Ų6819 Ų1932%0.31811%0.111SC..Hα-helixtrans-56.9-43.9178.6-177.1-175.6-172.300111.8Q275 S276 S281 V282 H283Q275-E279 WeakPolarHBondContact CA-OE2 3.37Å; Q275-E279 HydrophobicContact CB-CB 4.29Å; Q275-E279 HydrophobicContact CB-CG 4.2Å; Q275-E279 HydrophobicContact CG-CG 4.22Å; S276-E279 PolarHBondContact N-OE2 3.42Å; S276-E279 WeakPolarHBondContact OG-CB 3.5Å; S276-E279 PolarHBondContact OG-N 3.07Å; S276-E279 VanDerWaalsContact OG-N 3.13Å; E279-S281 VanDerWaalsContact C-N 3.28Å; E279-S281 PolarHBondContact O-N 2.8Å; E279-V282 PolarHBondContact O-N 2.91Å; E279-H283 VanDerWaalsContact CG-CE1 3.43Å; E279-H283 WeakPolarHBondContact CG-CE1 3.37Å; E279-H283 WeakPolarHBondContact O-CB 3.4Å; E279-H283 PolarHBondContact O-N 3.35Å; E279-H283 IonicContact OE1-CE1 2.7Å; E279-H283 PolarHBondContact OE1-CE1 3.39Å
280A98.3Very high97.2Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-60.1-38.1177.600000112.5Q275 S276 E278 L284 F302 A305Q275-A280 HydrophobicContact CB-CB 4.15Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.01Å; S276-A280 VanDerWaalsContact O-N 3.11Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 2.71Å; A280-L284 VanDerWaalsContact O-CB 3.26Å; A280-L284 WeakPolarHBondContact O-CB 3.48Å; A280-L284 PolarHBondContact O-N 3.3Å; A280-F302 HydrophobicContact CB-CD2 4.45Å; A280-F302 HydrophobicContact CB-CE2 3.74Å; A280-F302 HydrophobicContact CB-CZ 3.86Å; A280-A305 HydrophobicContact CB-CB 3.72Å
281S98.4Very high97.1Very high0 Ų023.4 Ų23.40%014%0.14CC..Hα-helixtrans-75.1-40177.7-59.30000112.4E277 E278 E279 L284 N285 R331 N335 A338E277-S281 PolarHBondContact O-N 2.83Å; E277-S281 PolarHBondContact O-OG 2.96Å; E278-S281 PolarHBondContact O-N 3.36Å; E278-S281 VanDerWaalsContact O-N 3.08Å; E279-S281 VanDerWaalsContact C-N 3.28Å; E279-S281 PolarHBondContact O-N 2.8Å; S281-L284 PolarHBondContact O-N 3.05Å; S281-N285 WeakPolarHBondContact O-CB 3.5Å; S281-N285 PolarHBondContact O-N 2.98Å; S281-R331 VanDerWaalsContact CB-NH2 3.35Å; S281-R331 PolarHBondContact OG-NH2 3.37Å; S281-N335 VanDerWaalsContact OG-CG 3.26Å; S281-N335 PolarHBondContact OG-ND2 3.3Å; S281-N335 PolarHBondContact OG-OD1 3.03Å; S281-A338 WeakPolarHBondContact O-CB 3.39Å
282V97.9Very high97.1Very high12 Ų1224.6 Ų24.67%0.07315%0.147CC..Hα-helixtrans-62.7-47.3175.61690000110.7P246 E278 E279 N285 A286 Y343 Y349P246-V282 HydrophobicContact CB-CG1 3.84Å; P246-V282 HydrophobicContact CG-CG1 3.57Å; E278-V282 HydrophobicContact CG-CG2 4.38Å; E278-V282 WeakPolarHBondContact O-CG2 3.32Å; E278-V282 PolarHBondContact O-N 3.43Å; E279-V282 PolarHBondContact O-N 2.91Å; V282-N285 WeakPolarHBondContact O-CB 3.46Å; V282-N285 PolarHBondContact O-N 3.45Å; V282-A286 WeakPolarHBondContact O-CB 3.49Å; V282-A286 PolarHBondContact O-N 3.4Å; V282-Y343 HydrophobicContact CG2-CE1 4.17Å; V282-Y349 HydrophobicContact CB-CE1 4.48Å; V282-Y349 HydrophobicContact CG1-CD1 3.9Å; V282-Y349 HydrophobicContact CG1-CE1 3.81Å; V282-Y349 HydrophobicContact CG1-CG 4.48Å; V282-Y349 HydrophobicContact CG2-CD1 4.21Å; V282-Y349 HydrophobicContact CG2-CD2 3.83Å; V282-Y349 HydrophobicContact CG2-CE1 4.23Å; V282-Y349 HydrophobicContact CG2-CE2 3.84Å; V282-Y349 HydrophobicContact CG2-CG 4.02Å
283H98.3Very high97.1Very high15 Ų1527.6 Ų27.67%0.06917%0.171CC..Hα-helixtrans-64.2-44.4176.8-70.9161.6000112.4M233 V249 Q275 E279 N285 A286 I287M233-H283 HydrophobicContact CE-CB 4.31Å; M233-H283 HydrophobicContact SD-CB 3.58Å; M233-H283 VanDerWaalsContact SD-CB 3.58Å; V249-H283 HydrophobicContact CG1-CB 4.29Å; Q275-H283 PolarHBondContact OE1-ND1 2.9Å; E279-H283 VanDerWaalsContact CG-CE1 3.43Å; E279-H283 WeakPolarHBondContact CG-CE1 3.37Å; E279-H283 WeakPolarHBondContact O-CB 3.4Å; E279-H283 PolarHBondContact O-N 3.35Å; E279-H283 IonicContact OE1-CE1 2.7Å; E279-H283 PolarHBondContact OE1-CE1 3.39Å; H283-N285 VanDerWaalsContact C-N 3.25Å; H283-N285 PolarHBondContact O-N 2.7Å; H283-A286 PolarHBondContact O-N 3.22Å; H283-I287 WeakPolarHBondContact O-CB 3.26Å; H283-I287 VanDerWaalsContact O-CG1 3.27Å; H283-I287 WeakPolarHBondContact O-CG1 3.39Å; H283-I287 PolarHBondContact O-N 2.65Å
284L98.8Very high97.4Very high0 Ų030.1 Ų30.10%018%0.179CC..Hα-helixtrans-60.2-38.8176.4-179.762.6000112.1M233 F270 A280 S281 I287 N288 F300 F302 A338 C339M233-L284 HydrophobicContact CE-CB 3.98Å; M233-L284 HydrophobicContact CE-CD1 4.5Å; F270-L284 HydrophobicContact CD2-CD1 4.08Å; A280-L284 VanDerWaalsContact O-CB 3.26Å; A280-L284 WeakPolarHBondContact O-CB 3.48Å; A280-L284 PolarHBondContact O-N 3.3Å; S281-L284 PolarHBondContact O-N 3.05Å; L284-I287 PolarHBondContact O-N 2.83Å; L284-N288 PolarHBondContact O-N 2.68Å; L284-N288 VanDerWaalsContact O-N 3.1Å; L284-N288 PolarHBondContact O-ND2 2.99Å; L284-F300 HydrophobicContact CD2-CB 3.89Å; L284-F300 HydrophobicContact CD2-CD1 3.85Å; L284-F300 HydrophobicContact CD2-CG 4.32Å; L284-F302 HydrophobicContact CD2-CZ 4.45Å; L284-A338 HydrophobicContact CB-CB 4.22Å; L284-A338 HydrophobicContact CD2-CB 4.08Å; L284-A338 HydrophobicContact CG-CB 4.19Å; L284-C339 HydrophobicContact CD2-CB 4.1Å
285N98.6Very high97.8Very high5 Ų532.1 Ų32.13%0.02719%0.187CC..Hα-helixtrans-67.8-42.2176.6-173.766.5000112.4S281 V282 H283 I287 N288 N289 A338 G341 K342 Y343 R355S281-N285 WeakPolarHBondContact O-CB 3.5Å; S281-N285 PolarHBondContact O-N 2.98Å; V282-N285 WeakPolarHBondContact O-CB 3.46Å; V282-N285 PolarHBondContact O-N 3.45Å; H283-N285 VanDerWaalsContact C-N 3.25Å; H283-N285 PolarHBondContact O-N 2.7Å; N285-I287 VanDerWaalsContact C-N 3.35Å; N285-N288 PolarHBondContact O-N 3.37Å; N285-N289 WeakPolarHBondContact O-CB 3.45Å; N285-N289 PolarHBondContact O-N 3.18Å; N285-N289 PolarHBondContact O-ND2 2.97Å; N285-A338 WeakPolarHBondContact CA-O 3.29Å; N285-A338 HydrophobicContact CB-CB 3.9Å; N285-G341 WeakPolarHBondContact OD1-CA 3.49Å; N285-G341 PolarHBondContact OD1-O 2.79Å; N285-K342 PolarHBondContact OD1-N 2.95Å; N285-Y343 HydrophobicContact CB-CD1 4.48Å; N285-Y343 PolarHBondContact ND2-O 2.66Å; N285-Y343 WeakPolarHBondContact OD1-CB 3.35Å; N285-Y343 PolarHBondContact OD1-N 3.37Å; N285-Y343 PolarHBondContact OD1-O 2.8Å; N285-R355 PolarHBondContact ND2-NH1 2.89Å; N285-R355 PolarHBondContact ND2-NH2 3.47Å
286A98.1Very high97.9Very high1 Ų132.1 Ų32.11%0.00819%0.186CC..Hα-helixtrans-63.5-41.1174.100000111.4P246 A250 V282 H283 N288 N289 C290P246-A286 HydrophobicContact CB-CB 3.84Å; P246-A286 WeakPolarHBondContact O-CB 3.18Å; A250-A286 HydrophobicContact CB-CB 3.77Å; A250-A286 WeakPolarHBondContact CB-O 3.29Å; V282-A286 WeakPolarHBondContact O-CB 3.49Å; V282-A286 PolarHBondContact O-N 3.4Å; H283-A286 PolarHBondContact O-N 3.22Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 3.28Å; A286-N289 CarbonylContact O-C 3.4Å; A286-N289 PolarHBondContact O-N 3.1Å; A286-N289 VanDerWaalsContact O-N 3.14Å; A286-C290 PolarHBondContact O-N 3.29Å
287I98.6Very high98Very high0 Ų031.7 Ų31.70%018%0.181CC..Hα-helixtrans-56.3-45.8174.7-76.8166.4000111.2M233 A250 V254 F270 H283 L284 N285 N289 C290 L298M233-I287 HydrophobicContact CE-CD1 4Å; M233-I287 HydrophobicContact CG-CD1 3.87Å; M233-I287 HydrophobicContact SD-CD1 3.91Å; A250-I287 HydrophobicContact CB-CB 4.48Å; A250-I287 HydrophobicContact CB-CG1 3.98Å; V254-I287 HydrophobicContact CG2-CG2 4Å; F270-I287 HydrophobicContact CE1-CD1 4.46Å; F270-I287 HydrophobicContact CE2-CD1 4.16Å; F270-I287 HydrophobicContact CE2-CG2 3.95Å; F270-I287 HydrophobicContact CZ-CD1 4.13Å; F270-I287 HydrophobicContact CZ-CG2 4.31Å; H283-I287 WeakPolarHBondContact O-CB 3.26Å; H283-I287 VanDerWaalsContact O-CG1 3.27Å; H283-I287 WeakPolarHBondContact O-CG1 3.39Å; H283-I287 PolarHBondContact O-N 2.65Å; L284-I287 PolarHBondContact O-N 2.83Å; N285-I287 VanDerWaalsContact C-N 3.35Å; I287-N289 VanDerWaalsContact C-N 3.34Å; I287-C290 VanDerWaalsContact O-CB 3.3Å; I287-C290 WeakPolarHBondContact O-CB 3.47Å; I287-C290 PolarHBondContact O-N 3.41Å; I287-L298 HydrophobicContact CG2-CB 4.19Å; I287-L298 HydrophobicContact CG2-CD1 3.38Å; I287-L298 HydrophobicContact CG2-CG 4.39Å
288N98.4Very high98.1Very high32 Ų3231 Ų3117%0.17118%0.178CC..Hα-helixtrans-71.1-29.3178.8-83.5-74.2000113.3L284 N285 A286 K294 L298 A338 C339L284-N288 PolarHBondContact O-N 2.68Å; L284-N288 VanDerWaalsContact O-N 3.1Å; L284-N288 PolarHBondContact O-ND2 2.99Å; N285-N288 PolarHBondContact O-N 3.37Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 3.28Å; N288-K294 WeakPolarHBondContact O-CE 3.43Å; N288-L298 PolarHBondContact ND2-O 3.22Å; N288-L298 PolarHBondContact OD1-O 3.33Å; N288-A338 PolarHBondContact ND2-O 3.46Å; N288-C339 VanDerWaalsContact CG-O 3.27Å; N288-C339 WeakPolarHBondContact ND2-CA 3.25Å; N288-C339 PolarHBondContact ND2-O 3.47Å; N288-C339 PolarHBondContact OD1-O 2.82Å
289N97.6Very high98.2Very high63 Ų6329 Ų2934%0.33717%0.168SC..Hα-helixtrans-83.6-7.6175-78.1-69.4000114.4N285 A286 I287 G341 R355 F357N285-N289 WeakPolarHBondContact O-CB 3.45Å; N285-N289 PolarHBondContact O-N 3.18Å; N285-N289 PolarHBondContact O-ND2 2.97Å; A286-N289 CarbonylContact O-C 3.4Å; A286-N289 PolarHBondContact O-N 3.1Å; A286-N289 VanDerWaalsContact O-N 3.14Å; I287-N289 VanDerWaalsContact C-N 3.34Å; N289-G341 WeakPolarHBondContact ND2-CA 3.15Å; N289-G341 PolarHBondContact ND2-O 3.14Å; N289-G341 PolarHBondContact OD1-O 3.45Å; N289-R355 PolarHBondContact ND2-NH1 3.24Å; N289-F357 HydrophobicContact CB-CZ 4.2Å
290C97.3Very high98.3Very high1 Ų125.7 Ų25.71%0.00715%0.153CC..  trans-57.2129.5177.7177.50000110.4A250 V254 A286 I287 L292 K294 F357A250-C290 HydrophobicContact CB-CB 4.44Å; V254-C290 HydrophobicContact CB-CB 4.44Å; V254-C290 HydrophobicContact CG2-CB 3.92Å; A286-C290 PolarHBondContact O-N 3.29Å; I287-C290 VanDerWaalsContact O-CB 3.3Å; I287-C290 WeakPolarHBondContact O-CB 3.47Å; I287-C290 PolarHBondContact O-N 3.41Å; C290-L292 PolarHBondContact O-N 3.17Å; C290-L292 VanDerWaalsContact O-N 3.07Å; C290-K294 PolarHBondContact O-NZ 3.42Å; C290-F357 HydrophobicContact CB-CD1 4.38Å; C290-F357 HydrophobicContact CB-CE1 3.92Å; C290-F357 HydrophobicContact CB-CZ 4.46Å
291P97.1Very high98.3Very high94 Ų9425.8 Ų25.861%0.6115%0.153SC*.SBendtrans-751.2-170.130-36.8000114.4M251 F357M251-P291 HydrophobicContact CE-CG 4.49Å; P291-F357 HydrophobicContact CG-CB 4.3Å; P291-F357 HydrophobicContact CG-CD2 4.25Å; P291-F357 HydrophobicContact CG-CG 4.28Å
292L97.6Very high98.3Very high34 Ų3425.8 Ų25.818%0.17815%0.153CC..SBendtrans-77.4152.7175.2-59.5-176.3000111.8M251 V254 C290 K294 C360M251-L292 HydrophobicContact CE-CG 4.37Å; M251-L292 HydrophobicContact SD-CD1 3.57Å; M251-L292 VanDerWaalsContact SD-CD1 3.57Å; M251-L292 HydrophobicContact SD-CG 4.05Å; V254-L292 HydrophobicContact CG1-CB 3.9Å; V254-L292 HydrophobicContact CG1-CD1 4.22Å; C290-L292 PolarHBondContact O-N 3.17Å; C290-L292 VanDerWaalsContact O-N 3.07Å; L292-K294 PolarHBondContact O-NZ 2.73Å; L292-C360 HydrophobicContact CD2-CB 4.26Å
293A97.7Very high98.3Very high68 Ų6825.6 Ų25.656%0.56215%0.154SC*.  trans-65.7134.7174.900000111.4R258R258-A293 WeakPolarHBondContact CD-O 3.43Å; R258-A293 PolarHBondContact NH1-O 2.93Å
294K98.2Very high98.1Very high66 Ų6630.4 Ų30.429%0.28717%0.172SC..  trans-128.796.3-176.4-63.6164.4-66.2-71.30108V254 N288 C290 L292 W296 L298V254-K294 HydrophobicContact CG1-CG 3.96Å; V254-K294 HydrophobicContact CG2-CD 4.41Å; N288-K294 WeakPolarHBondContact O-CE 3.43Å; C290-K294 PolarHBondContact O-NZ 3.42Å; L292-K294 PolarHBondContact O-NZ 2.73Å; K294-W296 PolarHBondContact O-N 2.9Å; K294-L298 HydrophobicContact CB-CD1 4.35Å; K294-L298 HydrophobicContact CD-CD1 3.51Å; K294-L298 HydrophobicContact CD-CG 4.44Å; K294-L298 HydrophobicContact CG-CD1 3.93Å
295P98.4Very high98.1Very high70 Ų7030.4 Ų30.446%0.45517%0.172SC..  trans-77.73.3-177.132.2-35.7000113.7P263P263-P295 HydrophobicContact CB-CB 4.11Å; P263-P295 HydrophobicContact CB-CG 4.17Å; P263-P295 HydrophobicContact CG-CG 4.25Å
296W98.8Very high98.1Very high19 Ų1930.2 Ų30.27%0.07217%0.171CC..SBendtrans-115.3155.9178.6-47.2-72.5000110.6M257 R258 V261 P262 I268 K294 L298M257-W296 HydrophobicContact CB-CZ3 4.13Å; R258-W296 HydrophobicContact CG-CZ3 4.28Å; V261-W296 HydrophobicContact CB-CH2 3.88Å; V261-W296 HydrophobicContact CB-CZ2 3.68Å; V261-W296 HydrophobicContact CB-CZ3 4.4Å; V261-W296 HydrophobicContact CG1-CD2 4.14Å; V261-W296 HydrophobicContact CG1-CH2 4.4Å; V261-W296 HydrophobicContact CG1-CZ2 3.77Å; V261-W296 WeakPolarHBondContact O-CH2 3.49Å; V261-W296 WeakPolarHBondContact O-CZ2 3.31Å; P262-W296 PolarHBondContact O-NE1 3.36Å; I268-W296 HydrophobicContact CD1-CB 4.38Å; I268-W296 HydrophobicContact CD1-CD2 4.03Å; I268-W296 HydrophobicContact CD1-CE3 3.88Å; I268-W296 HydrophobicContact CD1-CG 4.2Å; I268-W296 HydrophobicContact CG1-CB 4.17Å; I268-W296 HydrophobicContact CG1-CG 4.27Å; K294-W296 PolarHBondContact O-N 2.9Å; W296-L298 HydrophobicContact CB-CD2 4.36Å; W296-L298 PolarHBondContact O-N 3.29Å
297V98.8Very high98.1Very high54 Ų5430.2 Ų30.233%0.32717%0.17SC..EExtended strand (participates in β ladder)trans-68.2128.9160.1-179.40000109.3V24 P266 G267 I268 T299V24-V297 HydrophobicContact CB-CB 4.14Å; V24-V297 HydrophobicContact CB-CG1 4.03Å; V24-V297 HydrophobicContact CG2-CB 4.1Å; V24-V297 HydrophobicContact CG2-CG1 4.5Å; V24-V297 HydrophobicContact CG2-CG2 4.14Å; P266-V297 PolarHBondContact O-N 3.11Å; P266-V297 VanDerWaalsContact O-N 3.15Å; G267-V297 CarbonylContact C-O 3.49Å; G267-V297 VanDerWaalsContact CA-O 3.3Å; G267-V297 WeakPolarHBondContact CA-O 3.5Å; I268-V297 PolarHBondContact N-O 3.49Å; V297-T299 HydrophobicContact CG1-CG2 4.46Å
298L98.9Very high98Very high6 Ų631.4 Ų31.43%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-107.4104.6174.7-59.6-171.9000109.9V254 I268 F270 I287 N288 K294 W296V254-L298 HydrophobicContact CG2-CD1 4.2Å; I268-L298 HydrophobicContact CB-CD2 3.74Å; I268-L298 HydrophobicContact CD1-CD2 3.77Å; I268-L298 HydrophobicContact CG1-CD2 4.01Å; I268-L298 HydrophobicContact CG2-CD2 4.47Å; F270-L298 HydrophobicContact CE2-CB 4.26Å; F270-L298 HydrophobicContact CE2-CD2 4.22Å; I287-L298 HydrophobicContact CG2-CB 4.19Å; I287-L298 HydrophobicContact CG2-CD1 3.38Å; I287-L298 HydrophobicContact CG2-CG 4.39Å; N288-L298 PolarHBondContact ND2-O 3.22Å; N288-L298 PolarHBondContact OD1-O 3.33Å; K294-L298 HydrophobicContact CB-CD1 4.35Å; K294-L298 HydrophobicContact CD-CD1 3.51Å; K294-L298 HydrophobicContact CD-CG 4.44Å; K294-L298 HydrophobicContact CG-CD1 3.93Å; W296-L298 HydrophobicContact CB-CD2 4.36Å; W296-L298 PolarHBondContact O-N 3.29Å
299T98.9Very high98Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-134.8-169.2-174.7-165.80000111.8V24 K28 G29 I268 C269 F270 V297V24-T299 HydrophobicContact CB-CG2 4.33Å; V24-T299 HydrophobicContact CG1-CG2 3.92Å; K28-T299 WeakPolarHBondContact O-CB 3.47Å; K28-T299 PolarHBondContact O-OG1 3.26Å; G29-T299 WeakPolarHBondContact CA-OG1 3.41Å; I268-T299 PolarHBondContact O-N 2.65Å; C269-T299 CarbonylContact C-O 3.56Å; C269-T299 WeakPolarHBondContact CA-O 3.35Å; C269-T299 HydrophobicContact CB-CG2 4.22Å; F270-T299 WeakPolarHBondContact CD2-O 3.46Å; F270-T299 PolarHBondContact N-O 2.93Å; V297-T299 HydrophobicContact CG1-CG2 4.46Å
300F98.9Very high98.1Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-107.5147.9-175.455.4-83.6000112.8G29 I30 C73 I74 L284 F302 L306 N335 C339G29-F300 CarbonylContact C-O 3.58Å; G29-F300 WeakPolarHBondContact CA-O 3.41Å; I30-F300 PolarHBondContact N-O 3.36Å; C73-F300 WeakPolarHBondContact O-CZ 3.46Å; I74-F300 HydrophobicContact CD1-CE2 3.95Å; I74-F300 HydrophobicContact CD1-CZ 4.3Å; L284-F300 HydrophobicContact CD2-CB 3.89Å; L284-F300 HydrophobicContact CD2-CD1 3.85Å; L284-F300 HydrophobicContact CD2-CG 4.32Å; F300-F302 HydrophobicContact CB-CD1 3.77Å; F300-F302 HydrophobicContact CB-CD2 3.69Å; F300-F302 HydrophobicContact CB-CE1 3.79Å; F300-F302 HydrophobicContact CB-CE2 3.69Å; F300-F302 HydrophobicContact CB-CG 3.74Å; F300-F302 HydrophobicContact CB-CZ 3.74Å; F300-F302 HydrophobicContact CD2-CB 4.45Å; F300-F302 HydrophobicContact CD2-CD2 4.38Å; F300-F302 HydrophobicContact CD2-CG 4.43Å; F300-F302 HydrophobicContact CG-CD2 4.28Å; F300-L306 HydrophobicContact CD2-CD1 4.1Å; F300-L306 HydrophobicContact CE2-CD1 3.96Å; F300-N335 HydrophobicContact CD1-CB 3.76Å; F300-N335 HydrophobicContact CD2-CB 4.33Å; F300-N335 VanDerWaalsContact CE1-C 3.5Å; F300-N335 HydrophobicContact CE1-CB 3.62Å; F300-N335 WeakPolarHBondContact CE1-O 3.49Å; F300-N335 HydrophobicContact CE2-CB 4.2Å; F300-N335 HydrophobicContact CG-CB 4.12Å; F300-N335 HydrophobicContact CZ-CB 3.83Å; F300-C339 HydrophobicContact CD1-CB 4.32Å
301S98.9Very high98.1Very high1 Ų128.3 Ų28.31%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-129.480.9157.3-175.70000109I30 K230 C269 F270I30-S301 CarbonylContact O-C 3.6Å; I30-S301 WeakPolarHBondContact O-CA 3.16Å; K230-S301 VanDerWaalsContact CE-O 3.28Å; K230-S301 WeakPolarHBondContact CE-O 3.23Å; K230-S301 WeakPolarHBondContact CE-OG 3.13Å; K230-S301 PolarHBondContact NZ-O 3.01Å; K230-S301 PolarHBondContact NZ-OG 3.2Å; C269-S301 WeakPolarHBondContact O-CB 3.33Å; F270-S301 CarbonylContact O-C 3.5Å; F270-S301 PolarHBondContact O-N 3.23Å
302F98.8Very high98.1Very high0 Ų029.7 Ų29.70%016%0.159CC..EExtended strand (participates in β ladder)trans-103.4133.6-165.9-73.1-5.3000112.2I30 A32 M233 F270 A280 L284 F300 A305 L306 N335I30-F302 PolarHBondContact O-N 3.35Å; A32-F302 PolarHBondContact N-O 3.43Å; M233-F302 HydrophobicContact CE-CE1 4.49Å; M233-F302 HydrophobicContact CE-CZ 4.11Å; F270-F302 HydrophobicContact CB-CE1 4.42Å; F270-F302 VanDerWaalsContact O-CD1 3.23Å; F270-F302 WeakPolarHBondContact O-CD1 3.37Å; F270-F302 WeakPolarHBondContact O-CE1 3.32Å; A280-F302 HydrophobicContact CB-CD2 4.45Å; A280-F302 HydrophobicContact CB-CE2 3.74Å; A280-F302 HydrophobicContact CB-CZ 3.86Å; L284-F302 HydrophobicContact CD2-CZ 4.45Å; F300-F302 HydrophobicContact CB-CD1 3.77Å; F300-F302 HydrophobicContact CB-CD2 3.69Å; F300-F302 HydrophobicContact CB-CE1 3.79Å; F300-F302 HydrophobicContact CB-CE2 3.69Å; F300-F302 HydrophobicContact CB-CG 3.74Å; F300-F302 HydrophobicContact CB-CZ 3.74Å; F300-F302 HydrophobicContact CD2-CB 4.45Å; F300-F302 HydrophobicContact CD2-CD2 4.38Å; F300-F302 HydrophobicContact CD2-CG 4.43Å; F300-F302 HydrophobicContact CG-CD2 4.28Å; F302-A305 HydrophobicContact CB-CB 4.07Å; F302-A305 HydrophobicContact CD2-CB 3.66Å; F302-A305 HydrophobicContact CE2-CB 4.25Å; F302-A305 HydrophobicContact CG-CB 3.9Å; F302-L306 HydrophobicContact CB-CD1 3.88Å; F302-L306 HydrophobicContact CB-CG 3.78Å; F302-N335 VanDerWaalsContact CE2-OD1 3.31Å; F302-N335 WeakPolarHBondContact CE2-OD1 3.35Å
303G97.3Very high98.2Very high9 Ų929.2 Ų29.29%0.09316%0.159CC..SBendtrans-99-88.1169.200000109.4A32 A305 L306 Q307A32-G303 WeakPolarHBondContact O-CA 3.47Å; G303-A305 VanDerWaalsContact C-N 3.28Å; G303-A305 PolarHBondContact O-N 3.04Å; G303-L306 PolarHBondContact O-N 3.11Å; G303-Q307 WeakPolarHBondContact O-CB 3.38Å; G303-Q307 WeakPolarHBondContact O-CG 3.1Å; G303-Q307 PolarHBondContact O-N 3.14Å; G303-Q307 VanDerWaalsContact O-N 3.15Å
304R95.1Very high98.2Very high116 Ų11626 Ų2644%0.43813%0.133SC..Hα-helixtrans-50.1-44.2178.9-71.7-172.9-73.7-178.7-14.9113.4G273 L306 Q307 A308G273-R304 PolarHBondContact O-NE 3.37Å; G273-R304 PolarHBondContact O-NH2 2.98Å; R304-L306 PolarHBondContact O-N 3.31Å; R304-L306 VanDerWaalsContact O-N 3.11Å; R304-Q307 PolarHBondContact O-N 3.38Å; R304-Q307 VanDerWaalsContact O-N 3.07Å; R304-A308 VanDerWaalsContact O-CB 3.31Å; R304-A308 WeakPolarHBondContact O-CB 3.04Å; R304-A308 PolarHBondContact O-N 3.12Å
305A97.4Very high98.1Very high0 Ų030.2 Ų30.20%015%0.147CC..Hα-helixtrans-68.2-7.2-177.800000115.2S272 A280 F302 G303S272-A305 VanDerWaalsContact CB-CB 3.47Å; A280-A305 HydrophobicContact CB-CB 3.72Å; F302-A305 HydrophobicContact CB-CB 4.07Å; F302-A305 HydrophobicContact CD2-CB 3.66Å; F302-A305 HydrophobicContact CE2-CB 4.25Å; F302-A305 HydrophobicContact CG-CB 3.9Å; G303-A305 VanDerWaalsContact C-N 3.28Å; G303-A305 PolarHBondContact O-N 3.04Å
306L98.5Very high98Very high0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-110.7-16.4169.9-74.6174.5000113.2L31 I74 F300 F302 G303 R304 F328 R331 A332L31-L306 HydrophobicContact CB-CD1 4.3Å; L31-L306 HydrophobicContact CD1-CB 4.07Å; L31-L306 HydrophobicContact CD1-CD1 3.96Å; I74-L306 HydrophobicContact CD1-CD1 4.45Å; F300-L306 HydrophobicContact CD2-CD1 4.1Å; F300-L306 HydrophobicContact CE2-CD1 3.96Å; F302-L306 HydrophobicContact CB-CD1 3.88Å; F302-L306 HydrophobicContact CB-CG 3.78Å; G303-L306 PolarHBondContact O-N 3.11Å; R304-L306 PolarHBondContact O-N 3.31Å; R304-L306 VanDerWaalsContact O-N 3.11Å; L306-F328 HydrophobicContact CB-CD2 4.33Å; L306-F328 HydrophobicContact CB-CE2 4.4Å; L306-R331 HydrophobicContact CD2-CB 3.89Å; L306-A332 HydrophobicContact CD2-CB 4.49Å
307Q98.4Very high97.9Very high1 Ų131.6 Ų31.61%0.00516%0.155CC..Hα-helixtrans-117.1-17.9-165.7-66.9177.142.800113.9L31 A32 E35 F59 L63 G303 R304 S309 A310 L311L31-Q307 HydrophobicContact CD1-CG 4.1Å; A32-Q307 PolarHBondContact O-NE2 3.15Å; E35-Q307 PolarHBondContact OE1-NE2 3.48Å; E35-Q307 PolarHBondContact OE1-OE1 2.88Å; F59-Q307 HydrophobicContact CZ-CB 4.24Å; L63-Q307 HydrophobicContact CD1-CG 3.91Å; L63-Q307 HydrophobicContact CD2-CG 4.26Å; G303-Q307 WeakPolarHBondContact O-CB 3.38Å; G303-Q307 WeakPolarHBondContact O-CG 3.1Å; G303-Q307 PolarHBondContact O-N 3.14Å; G303-Q307 VanDerWaalsContact O-N 3.15Å; R304-Q307 PolarHBondContact O-N 3.38Å; R304-Q307 VanDerWaalsContact O-N 3.07Å; Q307-S309 PolarHBondContact O-N 2.88Å; Q307-A310 PolarHBondContact O-N 3.29Å; Q307-L311 VanDerWaalsContact O-CB 3.32Å; Q307-L311 WeakPolarHBondContact O-CB 3.34Å; Q307-L311 PolarHBondContact O-N 3.25Å
308A97.8Very high97.7Very high25 Ų2535.3 Ų35.321%0.20717%0.167CC..Hα-helixtrans-65.7-44.8-168.200000112.3E277 R304 R312E277-A308 HydrophobicContact CG-CB 4.07Å; E277-A308 PolarHBondContact OE1-N 2.91Å; R304-A308 VanDerWaalsContact O-CB 3.31Å; R304-A308 WeakPolarHBondContact O-CB 3.04Å; R304-A308 PolarHBondContact O-N 3.12Å; A308-R312 WeakPolarHBondContact O-CB 3.4Å; A308-R312 WeakPolarHBondContact O-CG 3.41Å; A308-R312 PolarHBondContact O-N 3.5Å
309S98.2Very high97.6Very high24 Ų2441.8 Ų41.817%0.16820%0.197CC..Hα-helixtrans-67.9-38.3174.7-75.50000112.4E277 Q307 R312 A313E277-S309 WeakPolarHBondContact OE1-CB 3.24Å; E277-S309 PolarHBondContact OE1-N 3.07Å; E277-S309 WeakPolarHBondContact OE2-CB 3.47Å; E277-S309 PolarHBondContact OE2-N 3.48Å; E277-S309 PolarHBondContact OE2-OG 3.23Å; Q307-S309 PolarHBondContact O-N 2.88Å; S309-R312 PolarHBondContact O-N 3.13Å; S309-R312 PolarHBondContact OG-NH2 2.98Å; S309-A313 VanDerWaalsContact O-CB 3.28Å; S309-A313 WeakPolarHBondContact O-CB 3.45Å; S309-A313 PolarHBondContact O-N 2.77Å
310A98.4Very high97.5Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-60.5-47.5175.100000111.5L63 Q307 R312 A313 W314 A324 Q327 F328L63-A310 HydrophobicContact CD2-CB 4.28Å; Q307-A310 PolarHBondContact O-N 3.29Å; A310-R312 PolarHBondContact O-N 2.92Å; A310-A313 PolarHBondContact O-N 2.82Å; A310-W314 WeakPolarHBondContact O-CB 3.24Å; A310-W314 PolarHBondContact O-N 3.36Å; A310-A324 WeakPolarHBondContact CB-O 3.27Å; A310-A324 VanDerWaalsContact O-CB 3.25Å; A310-A324 WeakPolarHBondContact O-CB 3.28Å; A310-Q327 HydrophobicContact CB-CB 4.32Å; A310-F328 HydrophobicContact CB-CB 4.03Å
311L98Very high97.4Very high8 Ų845.9 Ų45.94%0.04222%0.217CC..Hα-helixtrans-62.5-43.6178.4-174.559.1000112.1R43 L44 V47 F59 Q307 A313 W314 R315R43-L311 HydrophobicContact CB-CD2 3.8Å; L44-L311 HydrophobicContact CD2-CD1 4.13Å; V47-L311 HydrophobicContact CG1-CG 4.08Å; V47-L311 HydrophobicContact CG2-CD1 3.89Å; V47-L311 HydrophobicContact CG2-CD2 4.46Å; V47-L311 HydrophobicContact CG2-CG 3.88Å; F59-L311 HydrophobicContact CD1-CD1 4.39Å; F59-L311 HydrophobicContact CD2-CD1 3.89Å; F59-L311 HydrophobicContact CE1-CD1 4.2Å; F59-L311 HydrophobicContact CE2-CB 3.83Å; F59-L311 HydrophobicContact CE2-CD1 3.69Å; F59-L311 HydrophobicContact CE2-CG 4.36Å; F59-L311 HydrophobicContact CG-CD1 4.25Å; F59-L311 HydrophobicContact CZ-CB 3.7Å; F59-L311 HydrophobicContact CZ-CD1 3.86Å; F59-L311 HydrophobicContact CZ-CG 4.27Å; Q307-L311 VanDerWaalsContact O-CB 3.32Å; Q307-L311 WeakPolarHBondContact O-CB 3.34Å; Q307-L311 PolarHBondContact O-N 3.25Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 2.87Å; L311-W314 HydrophobicContact CD1-CE3 3.87Å; L311-W314 HydrophobicContact CD1-CZ3 4.16Å; L311-W314 PolarHBondContact O-N 3.17Å; L311-R315 PolarHBondContact O-N 3.11Å
312R98Very high97.4Very high123 Ų12354.5 Ų54.546%0.46426%0.255SS..Hα-helixtrans-67.1-29.9176.5-76-170.9-59.2-95.7-1.8113.8V47 E277 A308 S309 A310 R315V47-R312 HydrophobicContact CG1-CG 4.15Å; E277-R312 IonicContact OE2-NH2 3.95Å; E277-R312 PolarHBondContact OE2-NH2 2.92Å; A308-R312 WeakPolarHBondContact O-CB 3.4Å; A308-R312 WeakPolarHBondContact O-CG 3.41Å; A308-R312 PolarHBondContact O-N 3.5Å; S309-R312 PolarHBondContact O-N 3.13Å; S309-R312 PolarHBondContact OG-NH2 2.98Å; A310-R312 PolarHBondContact O-N 2.92Å; R312-R315 WeakPolarHBondContact O-CG 3.14Å; R312-R315 PolarHBondContact O-NE 3.37Å
313A98.2Very high97.3Very high23 Ų2358.1 Ų58.119%0.1928%0.277CS..Hα-helixtrans-76.8-39175.600000111.1S309 A310 L311 N320 T323 A324 Q327S309-A313 VanDerWaalsContact O-CB 3.28Å; S309-A313 WeakPolarHBondContact O-CB 3.45Å; S309-A313 PolarHBondContact O-N 2.77Å; A310-A313 PolarHBondContact O-N 2.82Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 2.87Å; A313-N320 WeakPolarHBondContact O-CB 3.37Å; A313-N320 PolarHBondContact O-ND2 2.57Å; A313-T323 HydrophobicContact CB-CG2 4.27Å; A313-A324 HydrophobicContact CB-CB 4.22Å; A313-Q327 HydrophobicContact CB-CG 4Å
314W98.4Very high97.4Very high0 Ų057.7 Ų57.70%027%0.272CS..Hα-helixtrans-67.5-55.4179.2175.847.5000112.6L44 V49 N55 Q58 F59 I62 A310 L311 G316 H317 N320 A324L44-W314 HydrophobicContact CD2-CH2 4.4Å; L44-W314 HydrophobicContact CD2-CZ3 3.75Å; V49-W314 HydrophobicContact CG1-CH2 4.26Å; V49-W314 HydrophobicContact CG1-CZ3 4.4Å; N55-W314 HydrophobicContact CB-CH2 4.27Å; N55-W314 VanDerWaalsContact O-CH2 3.3Å; N55-W314 WeakPolarHBondContact O-CH2 3.49Å; Q58-W314 HydrophobicContact CB-CH2 4.44Å; Q58-W314 HydrophobicContact CB-CZ2 3.9Å; F59-W314 HydrophobicContact CB-CE3 4.08Å; F59-W314 HydrophobicContact CB-CH2 3.91Å; F59-W314 HydrophobicContact CB-CZ3 3.57Å; F59-W314 HydrophobicContact CD2-CD2 4.19Å; F59-W314 AromaticContact CD2-CE3 3.47Å; F59-W314 HydrophobicContact CD2-CE3 3.47Å; F59-W314 VanDerWaalsContact CD2-CE3 3.47Å; F59-W314 AromaticContact CD2-CZ3 3.85Å; F59-W314 HydrophobicContact CD2-CZ3 3.85Å; F59-W314 HydrophobicContact CE2-CE3 4.31Å; F59-W314 HydrophobicContact CG-CE3 4.06Å; F59-W314 AromaticContact CG-CZ3 3.94Å; F59-W314 HydrophobicContact CG-CZ3 3.94Å; I62-W314 HydrophobicContact CD1-CB 4.13Å; I62-W314 HydrophobicContact CD1-CD2 3.63Å; I62-W314 HydrophobicContact CD1-CE3 4.47Å; I62-W314 HydrophobicContact CD1-CG 3.43Å; I62-W314 VanDerWaalsContact CD1-CG 3.43Å; I62-W314 HydrophobicContact CD1-CZ2 4.45Å; A310-W314 WeakPolarHBondContact O-CB 3.24Å; A310-W314 PolarHBondContact O-N 3.36Å; L311-W314 HydrophobicContact CD1-CE3 3.87Å; L311-W314 HydrophobicContact CD1-CZ3 4.16Å; L311-W314 PolarHBondContact O-N 3.17Å; W314-G316 VanDerWaalsContact CE2-CA 3.44Å; W314-G316 PolarHBondContact O-N 3.4Å; W314-G316 VanDerWaalsContact O-N 3.08Å; W314-H317 PolarHBondContact O-N 3.31Å; W314-N320 PolarHBondContact O-ND2 3.05Å; W314-A324 HydrophobicContact CB-CB 3.66Å
315R95.8Very high97.6Very high155 Ų15552.9 Ų52.959%0.58526%0.256SS*.THydrogen-bonded Turntrans51.324.9-176.3-51.5-174.4177.5-172.3-3.8115.2V49 L311 R312 H317V49-R315 WeakPolarHBondContact CG2-O 3.48Å; L311-R315 PolarHBondContact O-N 3.11Å; R312-R315 WeakPolarHBondContact O-CG 3.14Å; R312-R315 PolarHBondContact O-NE 3.37Å; R315-H317 VanDerWaalsContact C-N 3.31Å
316G96.3Very high97.6Very high26 Ų2655.7 Ų55.727%0.26827%0.269SS..THydrogen-bonded Turntrans81.47-178.800000114.7W314W314-G316 VanDerWaalsContact CE2-CA 3.44Å; W314-G316 PolarHBondContact O-N 3.4Å; W314-G316 VanDerWaalsContact O-N 3.08Å
317H96.3Very high97.6Very high93 Ų9358.3 Ų58.343%0.43128%0.282SS..  trans-102.6123.2-176.6-64-60.3000111W314 R315 E319 N320W314-H317 PolarHBondContact O-N 3.31Å; R315-H317 VanDerWaalsContact C-N 3.31Å; H317-E319 VanDerWaalsContact C-N 3.29Å; H317-E319 HydrophobicContact CB-CG 4.32Å; H317-E319 IonicContact CG-OE1 3.44Å; H317-E319 PolarHBondContact O-N 3.4Å; H317-N320 HydrophobicContact CB-CB 4.43Å; H317-N320 WeakPolarHBondContact O-CB 3.35Å; H317-N320 PolarHBondContact O-N 3.48Å
318K94.4Very high97.6Very high131 Ų13158.3 Ų58.357%0.5728%0.282SS*.G310 helixtrans-63-35.3-175.1-171.3170.7-172.5169.10112.5N320 E321K318-N320 PolarHBondContact O-N 3.07Å; K318-N320 VanDerWaalsContact O-N 3.14Å; K318-E321 WeakPolarHBondContact O-CB 3.12Å; K318-E321 VanDerWaalsContact O-CG 3.24Å; K318-E321 WeakPolarHBondContact O-CG 3.42Å; K318-E321 PolarHBondContact O-N 2.81Å
319E97Very high97.7Very high143 Ų14357.1 Ų57.167%0.66827%0.272SS*.G310 helixtrans-61.2-20.1175.462.9-89.6-150.200113.3H317H317-E319 VanDerWaalsContact C-N 3.29Å; H317-E319 HydrophobicContact CB-CG 4.32Å; H317-E319 IonicContact CG-OE1 3.44Å; H317-E319 PolarHBondContact O-N 3.4Å
320N97.8Very high97.7Very high46 Ų4660.5 Ų60.525%0.24628%0.283CS..G310 helixtrans-95.5-0.5-179.1-67.3-27.9000114A313 W314 H317 K318 K322 T323 A324A313-N320 WeakPolarHBondContact O-CB 3.37Å; A313-N320 PolarHBondContact O-ND2 2.57Å; W314-N320 PolarHBondContact O-ND2 3.05Å; H317-N320 HydrophobicContact CB-CB 4.43Å; H317-N320 WeakPolarHBondContact O-CB 3.35Å; H317-N320 PolarHBondContact O-N 3.48Å; K318-N320 PolarHBondContact O-N 3.07Å; K318-N320 VanDerWaalsContact O-N 3.14Å; N320-K322 VanDerWaalsContact C-N 3.34Å; N320-K322 PolarHBondContact O-N 3.4Å; N320-T323 PolarHBondContact O-N 3.08Å; N320-T323 VanDerWaalsContact O-N 3.12Å; N320-A324 WeakPolarHBondContact O-CB 3.2Å; N320-A324 PolarHBondContact O-N 3.02Å
321E97.3Very high97.7Very high40 Ų4061.9 Ų61.919%0.18729%0.289CS..Hα-helixtrans-53.4-49.1-176-74.5-178.4173.300112I62 K318 T323 A324 T325I62-E321 HydrophobicContact CD1-CB 4.45Å; I62-E321 HydrophobicContact CD1-CG 3.84Å; I62-E321 HydrophobicContact CG1-CB 4.14Å; I62-E321 HydrophobicContact CG1-CG 3.78Å; K318-E321 WeakPolarHBondContact O-CB 3.12Å; K318-E321 VanDerWaalsContact O-CG 3.24Å; K318-E321 WeakPolarHBondContact O-CG 3.42Å; K318-E321 PolarHBondContact O-N 2.81Å; E321-T323 VanDerWaalsContact C-N 3.34Å; E321-T323 PolarHBondContact O-N 2.9Å; E321-A324 WeakPolarHBondContact O-CB 3.48Å; E321-A324 PolarHBondContact O-N 3.03Å; E321-T325 WeakPolarHBondContact O-CB 3.36Å; E321-T325 PolarHBondContact O-N 3.43Å; E321-T325 PolarHBondContact O-OG1 3.43Å
322K97.6Very high97.7Very high181 Ų18161.5 Ų61.579%0.78729%0.287SS*.Hα-helixtrans-60.6-42.8179.6-171.5179-179.4-178.60112.3N320 A324 T325 E326N320-K322 VanDerWaalsContact C-N 3.34Å; N320-K322 PolarHBondContact O-N 3.4Å; K322-A324 VanDerWaalsContact C-N 3.35Å; K322-T325 PolarHBondContact O-N 3.04Å; K322-E326 PolarHBondContact O-N 3.25Å
323T98.2Very high97.7Very high76 Ų7659.1 Ų59.147%0.46628%0.281SS..Hα-helixtrans-65-40.8178.1-55.90000111.1A313 N320 E321 E326 Q327A313-T323 HydrophobicContact CB-CG2 4.27Å; N320-T323 PolarHBondContact O-N 3.08Å; N320-T323 VanDerWaalsContact O-N 3.12Å; E321-T323 VanDerWaalsContact C-N 3.34Å; E321-T323 PolarHBondContact O-N 2.9Å; T323-E326 PolarHBondContact O-N 3.39Å; T323-Q327 WeakPolarHBondContact O-CG 3.32Å; T323-Q327 PolarHBondContact O-N 2.8Å
324A98.5Very high97.7Very high0 Ų059.3 Ų59.30%028%0.279CS..Hα-helixtrans-66.1-44.7176.800000112.4I62 A310 A313 W314 N320 E321 K322 E326 Q327 F328I62-A324 HydrophobicContact CG2-CB 3.72Å; A310-A324 WeakPolarHBondContact CB-O 3.27Å; A310-A324 VanDerWaalsContact O-CB 3.25Å; A310-A324 WeakPolarHBondContact O-CB 3.28Å; A313-A324 HydrophobicContact CB-CB 4.22Å; W314-A324 HydrophobicContact CB-CB 3.66Å; N320-A324 WeakPolarHBondContact O-CB 3.2Å; N320-A324 PolarHBondContact O-N 3.02Å; E321-A324 WeakPolarHBondContact O-CB 3.48Å; E321-A324 PolarHBondContact O-N 3.03Å; K322-A324 VanDerWaalsContact C-N 3.35Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.23Å; A324-Q327 PolarHBondContact O-N 3.15Å; A324-F328 PolarHBondContact O-N 3.29Å
325T98.4Very high97.8Very high16 Ų1659.3 Ų59.310%0.09828%0.279CS..Hα-helixtrans-56.9-44.6174.1-61.20000111I62 A66 E321 K322 Q327 F328 V329I62-T325 WeakPolarHBondContact CG2-OG1 3.48Å; I62-T325 PolarHBondContact O-OG1 3.25Å; A66-T325 HydrophobicContact CB-CG2 3.92Å; E321-T325 WeakPolarHBondContact O-CB 3.36Å; E321-T325 PolarHBondContact O-N 3.43Å; E321-T325 PolarHBondContact O-OG1 3.43Å; K322-T325 PolarHBondContact O-N 3.04Å; T325-Q327 VanDerWaalsContact C-N 3.31Å; T325-Q327 PolarHBondContact O-N 2.8Å; T325-F328 WeakPolarHBondContact O-CB 3.27Å; T325-F328 PolarHBondContact O-N 2.82Å; T325-F328 VanDerWaalsContact O-N 3.14Å; T325-V329 WeakPolarHBondContact O-CG2 3.42Å; T325-V329 PolarHBondContact O-N 3.03Å
326E98.5Very high97.9Very high59 Ų5952.5 Ų52.528%0.27626%0.255SS..Hα-helixtrans-59.6-38.9177.5-174.460.9-152.400112.6R69 K322 T323 A324 F328 V329 K330R69-E326 IonicContact CZ-OE1 3.62Å; R69-E326 IonicContact CZ-OE2 2.69Å; R69-E326 IonicContact NH1-OE1 3.34Å; R69-E326 PolarHBondContact NH1-OE1 3.44Å; R69-E326 IonicContact NH1-OE2 3.76Å; R69-E326 PolarHBondContact NH1-OE2 3.43Å; R69-E326 IonicContact NH2-OE1 3.74Å; R69-E326 IonicContact NH2-OE2 3.72Å; R69-E326 PolarHBondContact NH2-OE2 2.91Å; K322-E326 PolarHBondContact O-N 3.25Å; T323-E326 PolarHBondContact O-N 3.39Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.23Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-F328 PolarHBondContact O-N 2.96Å; E326-V329 PolarHBondContact O-N 3.42Å; E326-K330 HydrophobicContact CG-CD 4.41Å; E326-K330 WeakPolarHBondContact O-CG 3.23Å; E326-K330 PolarHBondContact O-N 3.49Å
327Q98.6Very high98Very high55 Ų5554.8 Ų54.826%0.25726%0.261SS..Hα-helixtrans-64.7-38.7176.7-65.2-57-44.400112.3A310 A313 T323 A324 T325 R331A310-Q327 HydrophobicContact CB-CB 4.32Å; A313-Q327 HydrophobicContact CB-CG 4Å; T323-Q327 WeakPolarHBondContact O-CG 3.32Å; T323-Q327 PolarHBondContact O-N 2.8Å; A324-Q327 PolarHBondContact O-N 3.15Å; T325-Q327 VanDerWaalsContact C-N 3.31Å; T325-Q327 PolarHBondContact O-N 2.8Å; Q327-R331 PolarHBondContact O-N 2.88Å
328F98.7Very high98.1Very high1 Ų150.4 Ų50.40%0.00424%0.241CC..Hα-helixtrans-63.8-46.4173.7161.2-116.7000111.3L31 L63 A66 I70 I74 L306 A310 A324 T325 E326 K330 R331 A332L31-F328 HydrophobicContact CD1-CE2 4.03Å; L31-F328 HydrophobicContact CD2-CE2 4Å; L31-F328 HydrophobicContact CD2-CZ 3.87Å; L31-F328 HydrophobicContact CG-CE2 4.46Å; L63-F328 HydrophobicContact CD2-CB 3.87Å; L63-F328 HydrophobicContact CD2-CD1 4.29Å; L63-F328 HydrophobicContact CD2-CD2 4.13Å; L63-F328 HydrophobicContact CD2-CG 3.82Å; L63-F328 VanDerWaalsContact O-CE1 3.25Å; L63-F328 WeakPolarHBondContact O-CE1 3.27Å; A66-F328 HydrophobicContact CB-CD1 3.87Å; A66-F328 HydrophobicContact CB-CE1 3.73Å; I70-F328 HydrophobicContact CD1-CE1 4.25Å; I70-F328 HydrophobicContact CG2-CE1 3.83Å; I70-F328 HydrophobicContact CG2-CZ 4.24Å; I74-F328 HydrophobicContact CG1-CZ 4.47Å; L306-F328 HydrophobicContact CB-CD2 4.33Å; L306-F328 HydrophobicContact CB-CE2 4.4Å; A310-F328 HydrophobicContact CB-CB 4.03Å; A324-F328 PolarHBondContact O-N 3.29Å; T325-F328 WeakPolarHBondContact O-CB 3.27Å; T325-F328 PolarHBondContact O-N 2.82Å; T325-F328 VanDerWaalsContact O-N 3.14Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-F328 PolarHBondContact O-N 2.96Å; F328-K330 VanDerWaalsContact C-N 3.35Å; F328-K330 PolarHBondContact O-N 2.89Å; F328-R331 PolarHBondContact O-N 3.4Å; F328-A332 HydrophobicContact CE2-CB 4.41Å; F328-A332 PolarHBondContact O-N 2.93Å
329V98.7Very high98.3Very high0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-57.8-47.7178.91770000111A66 R69 I70 T325 E326 R331 A332 E333A66-V329 HydrophobicContact CB-CG2 3.76Å; R69-V329 HydrophobicContact CB-CG1 3.73Å; R69-V329 HydrophobicContact CG-CG1 4.5Å; I70-V329 HydrophobicContact CG2-CB 4.49Å; I70-V329 HydrophobicContact CG2-CG1 4.46Å; I70-V329 HydrophobicContact CG2-CG2 3.93Å; T325-V329 WeakPolarHBondContact O-CG2 3.42Å; T325-V329 PolarHBondContact O-N 3.03Å; E326-V329 PolarHBondContact O-N 3.42Å; V329-R331 VanDerWaalsContact C-N 3.32Å; V329-R331 PolarHBondContact O-N 2.76Å; V329-A332 WeakPolarHBondContact O-CA 3.38Å; V329-A332 WeakPolarHBondContact O-CB 3.41Å; V329-A332 PolarHBondContact O-N 3.2Å; V329-E333 HydrophobicContact CG1-CG 4.4Å; V329-E333 PolarHBondContact O-N 3.18Å
330K98.3Very high98.3Very high95 Ų9541.4 Ų41.441%0.41320%0.202SC..Hα-helixtrans-55.1-45.6176.9-74.7173.2174.1178.90112.5E326 F328 A332 E333 V334E326-K330 HydrophobicContact CG-CD 4.41Å; E326-K330 WeakPolarHBondContact O-CG 3.23Å; E326-K330 PolarHBondContact O-N 3.49Å; F328-K330 VanDerWaalsContact C-N 3.35Å; F328-K330 PolarHBondContact O-N 2.89Å; K330-A332 VanDerWaalsContact C-N 3.34Å; K330-E333 PolarHBondContact O-N 3.37Å; K330-V334 WeakPolarHBondContact O-CB 3.25Å; K330-V334 VanDerWaalsContact O-CG2 3.29Å; K330-V334 WeakPolarHBondContact O-CG2 3.36Å; K330-V334 PolarHBondContact O-N 3.49Å
331R98.5Very high98.3Very high29 Ų2939.8 Ų39.811%0.10920%0.197CC..Hα-helixtrans-69.3-32.3177.2-65.2-44.4-55.2-177.53.4112.4E277 E278 S281 L306 Q327 F328 V329 N335E277-R331 VanDerWaalsContact C-NH2 3.28Å; E277-R331 PolarHBondContact O-NH2 3.29Å; E278-R331 IonicContact OE2-CZ 3.86Å; E278-R331 IonicContact OE2-NH1 2.63Å; E278-R331 PolarHBondContact OE2-NH1 3.36Å; E278-R331 IonicContact OE2-NH2 3.21Å; E278-R331 PolarHBondContact OE2-NH2 3.3Å; S281-R331 VanDerWaalsContact CB-NH2 3.35Å; S281-R331 PolarHBondContact OG-NH2 3.37Å; L306-R331 HydrophobicContact CD2-CB 3.89Å; Q327-R331 PolarHBondContact O-N 2.88Å; F328-R331 PolarHBondContact O-N 3.4Å; V329-R331 VanDerWaalsContact C-N 3.32Å; V329-R331 PolarHBondContact O-N 2.76Å; R331-N335 WeakPolarHBondContact O-CB 3.09Å; R331-N335 PolarHBondContact O-N 3.44Å; R331-N335 PolarHBondContact O-ND2 3.4Å
332A98.6Very high98.3Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-64-46174.600000111.4I70 C73 I74 L306 F328 V329 K330 N335 S336I70-A332 HydrophobicContact CG2-CB 4.27Å; C73-A332 HydrophobicContact CB-CB 3.92Å; I74-A332 HydrophobicContact CD1-CB 4.25Å; L306-A332 HydrophobicContact CD2-CB 4.49Å; F328-A332 HydrophobicContact CE2-CB 4.41Å; F328-A332 PolarHBondContact O-N 2.93Å; V329-A332 WeakPolarHBondContact O-CA 3.38Å; V329-A332 WeakPolarHBondContact O-CB 3.41Å; V329-A332 PolarHBondContact O-N 3.2Å; K330-A332 VanDerWaalsContact C-N 3.34Å; A332-N335 PolarHBondContact O-N 3.33Å; A332-S336 WeakPolarHBondContact O-CB 3.36Å; A332-S336 PolarHBondContact O-N 3.39Å
333E98.5Very high98.2Very high73 Ų7336.8 Ų36.834%0.34118%0.183SC..Hα-helixtrans-63.7-45.5177.5-69177.2142.500112R69 V329 K330 N335 S336 L337R69-E333 WeakPolarHBondContact CD-OE1 3.34Å; V329-E333 HydrophobicContact CG1-CG 4.4Å; V329-E333 PolarHBondContact O-N 3.18Å; K330-E333 PolarHBondContact O-N 3.37Å; E333-N335 VanDerWaalsContact C-N 3.33Å; E333-N335 PolarHBondContact O-N 3.5Å; E333-S336 WeakPolarHBondContact O-CB 3.46Å; E333-S336 PolarHBondContact O-N 2.86Å; E333-L337 PolarHBondContact O-N 3.03Å
334V98.3Very high97.4Very high26 Ų2637.1 Ų37.116%0.15819%0.188CC..Hα-helixtrans-58-46176.1166.40000111.3K330 S336 L337 A338 Y343K330-V334 WeakPolarHBondContact O-CB 3.25Å; K330-V334 VanDerWaalsContact O-CG2 3.29Å; K330-V334 WeakPolarHBondContact O-CG2 3.36Å; K330-V334 PolarHBondContact O-N 3.49Å; V334-S336 VanDerWaalsContact C-N 3.35Å; V334-L337 PolarHBondContact O-N 2.85Å; V334-A338 WeakPolarHBondContact O-CB 3.25Å; V334-A338 PolarHBondContact O-N 3.2Å; V334-Y343 HydrophobicContact CB-CE2 4.35Å; V334-Y343 HydrophobicContact CG1-CD1 4.25Å; V334-Y343 HydrophobicContact CG1-CD2 3.92Å; V334-Y343 HydrophobicContact CG1-CE1 3.9Å; V334-Y343 HydrophobicContact CG1-CE2 3.59Å; V334-Y343 HydrophobicContact CG1-CG 4.24Å; V334-Y343 HydrophobicContact CG2-CE2 4.05Å
335N98.6Very high96.1Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-72.5-28.6179.7-75-60.7000113S281 F300 F302 R331 A332 E333 L337 A338 C339S281-N335 VanDerWaalsContact OG-CG 3.26Å; S281-N335 PolarHBondContact OG-ND2 3.3Å; S281-N335 PolarHBondContact OG-OD1 3.03Å; F300-N335 HydrophobicContact CD1-CB 3.76Å; F300-N335 HydrophobicContact CD2-CB 4.33Å; F300-N335 VanDerWaalsContact CE1-C 3.5Å; F300-N335 HydrophobicContact CE1-CB 3.62Å; F300-N335 WeakPolarHBondContact CE1-O 3.49Å; F300-N335 HydrophobicContact CE2-CB 4.2Å; F300-N335 HydrophobicContact CG-CB 4.12Å; F300-N335 HydrophobicContact CZ-CB 3.83Å; F302-N335 VanDerWaalsContact CE2-OD1 3.31Å; F302-N335 WeakPolarHBondContact CE2-OD1 3.35Å; R331-N335 WeakPolarHBondContact O-CB 3.09Å; R331-N335 PolarHBondContact O-N 3.44Å; R331-N335 PolarHBondContact O-ND2 3.4Å; A332-N335 PolarHBondContact O-N 3.33Å; E333-N335 VanDerWaalsContact C-N 3.33Å; E333-N335 PolarHBondContact O-N 3.5Å; N335-L337 VanDerWaalsContact C-N 3.33Å; N335-A338 PolarHBondContact O-N 3.25Å; N335-C339 PolarHBondContact O-N 3.18Å
336S98.7Very high94.3Very high12 Ų1238.6 Ų38.68%0.08421%0.206CC..Hα-helixtrans-63-39.2170.5-177.10000112G27 A332 E333 V334 C339 Q340G27-S336 WeakPolarHBondContact O-CA 3.47Å; G27-S336 VanDerWaalsContact O-CB 3.24Å; G27-S336 WeakPolarHBondContact O-CB 3.46Å; G27-S336 PolarHBondContact O-OG 3.47Å; A332-S336 WeakPolarHBondContact O-CB 3.36Å; A332-S336 PolarHBondContact O-N 3.39Å; E333-S336 WeakPolarHBondContact O-CB 3.46Å; E333-S336 PolarHBondContact O-N 2.86Å; V334-S336 VanDerWaalsContact C-N 3.35Å; S336-C339 PolarHBondContact O-SG 2.55Å; S336-Q340 WeakPolarHBondContact O-CG 3.2Å; S336-Q340 PolarHBondContact O-NE2 3.21Å
337L98.5Very high92Very high75 Ų7544.1 Ų44.139%0.39324%0.237SC..Hα-helixtrans-70.3-41.9172.3-67.3171.4000111.6E333 V334 N335 C339 Q340 G341 K342E333-L337 PolarHBondContact O-N 3.03Å; V334-L337 PolarHBondContact O-N 2.85Å; N335-L337 VanDerWaalsContact C-N 3.33Å; L337-C339 PolarHBondContact O-N 3.04Å; L337-Q340 CarbonylContact O-C 3.58Å; L337-Q340 WeakPolarHBondContact O-CB 3.29Å; L337-Q340 PolarHBondContact O-N 2.66Å; L337-G341 PolarHBondContact O-N 2.97Å; L337-K342 HydrophobicContact CD2-CB 4.2Å; L337-K342 PolarHBondContact O-N 3.34Å
338A98.5Very high89.7Confident0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-62.8-41.2-178.900000112.6S281 L284 N285 N288 V334 N335 Q340 G341S281-A338 WeakPolarHBondContact O-CB 3.39Å; L284-A338 HydrophobicContact CB-CB 4.22Å; L284-A338 HydrophobicContact CD2-CB 4.08Å; L284-A338 HydrophobicContact CG-CB 4.19Å; N285-A338 WeakPolarHBondContact CA-O 3.29Å; N285-A338 HydrophobicContact CB-CB 3.9Å; N288-A338 PolarHBondContact ND2-O 3.46Å; V334-A338 WeakPolarHBondContact O-CB 3.25Å; V334-A338 PolarHBondContact O-N 3.2Å; N335-A338 PolarHBondContact O-N 3.25Å; A338-Q340 PolarHBondContact O-N 3.33Å; A338-Q340 VanDerWaalsContact O-N 3.13Å; A338-G341 PolarHBondContact O-N 2.98Å
339C98.4Very high87.6Confident12 Ų1254.3 Ų54.38%0.08129%0.286CS..THydrogen-bonded Turntrans-68.6-8.3176.1750000113.8G27 L284 N288 F300 N335 S336 L337G27-C339 VanDerWaalsContact C-SG 3.55Å; G27-C339 VanDerWaalsContact CA-SG 3.56Å; L284-C339 HydrophobicContact CD2-CB 4.1Å; N288-C339 VanDerWaalsContact CG-O 3.27Å; N288-C339 WeakPolarHBondContact ND2-CA 3.25Å; N288-C339 PolarHBondContact ND2-O 3.47Å; N288-C339 PolarHBondContact OD1-O 2.82Å; F300-C339 HydrophobicContact CD1-CB 4.32Å; N335-C339 PolarHBondContact O-N 3.18Å; S336-C339 PolarHBondContact O-SG 2.55Å; L337-C339 PolarHBondContact O-N 3.04Å
340Q98.1Very high85.1Confident73 Ų7356.7 Ų56.734%0.34131%0.311SS..THydrogen-bonded Turntrans-104.40172.8-63.7175.467.300112.9S336 L337 A338 K342S336-Q340 WeakPolarHBondContact O-CG 3.2Å; S336-Q340 PolarHBondContact O-NE2 3.21Å; L337-Q340 CarbonylContact O-C 3.58Å; L337-Q340 WeakPolarHBondContact O-CB 3.29Å; L337-Q340 PolarHBondContact O-N 2.66Å; A338-Q340 PolarHBondContact O-N 3.33Å; A338-Q340 VanDerWaalsContact O-N 3.13Å; Q340-K342 HydrophobicContact CB-CB 4.46Å; Q340-K342 HydrophobicContact CB-CD 3.99Å; Q340-K342 HydrophobicContact CB-CG 4.07Å; Q340-K342 PolarHBondContact O-N 3.3Å
341G97.2Very high82.7Confident13 Ų1361.4 Ų61.413%0.13433%0.334CS..THydrogen-bonded Turntrans70.516.1-173.500000114.3N285 N289 L337 A338N285-G341 WeakPolarHBondContact OD1-CA 3.49Å; N285-G341 PolarHBondContact OD1-O 2.79Å; N289-G341 WeakPolarHBondContact ND2-CA 3.15Å; N289-G341 PolarHBondContact ND2-O 3.14Å; N289-G341 PolarHBondContact OD1-O 3.45Å; L337-G341 PolarHBondContact O-N 2.97Å; A338-G341 PolarHBondContact O-N 2.98Å
342K96.7Very high80.3Confident135 Ų13563.9 Ų63.959%0.58736%0.361SS*.  trans-1045.9-173.8-65.4175.5-174.9165.90113.8N285 L337 Q340N285-K342 PolarHBondContact OD1-N 2.95Å; L337-K342 HydrophobicContact CD2-CB 4.2Å; L337-K342 PolarHBondContact O-N 3.34Å; Q340-K342 HydrophobicContact CB-CB 4.46Å; Q340-K342 HydrophobicContact CB-CD 3.99Å; Q340-K342 HydrophobicContact CB-CG 4.07Å; Q340-K342 PolarHBondContact O-N 3.3Å
343Y94.9Very high77.9Confident23 Ų2366.3 Ų66.39%0.0939%0.386CS..  trans-81.8130178.2-177.3-125.9000110.5E278 V282 N285 V334 G345 G346E278-Y343 VanDerWaalsContact CD-OH 3.29Å; E278-Y343 PolarHBondContact OE1-OH 2.96Å; E278-Y343 PolarHBondContact OE2-OH 3.46Å; E278-Y343 VanDerWaalsContact OE2-OH 3.1Å; V282-Y343 HydrophobicContact CG2-CE1 4.17Å; N285-Y343 HydrophobicContact CB-CD1 4.48Å; N285-Y343 PolarHBondContact ND2-O 2.66Å; N285-Y343 WeakPolarHBondContact OD1-CB 3.35Å; N285-Y343 PolarHBondContact OD1-N 3.37Å; N285-Y343 PolarHBondContact OD1-O 2.8Å; V334-Y343 HydrophobicContact CB-CE2 4.35Å; V334-Y343 HydrophobicContact CG1-CD1 4.25Å; V334-Y343 HydrophobicContact CG1-CD2 3.92Å; V334-Y343 HydrophobicContact CG1-CE1 3.9Å; V334-Y343 HydrophobicContact CG1-CE2 3.59Å; V334-Y343 HydrophobicContact CG1-CG 4.24Å; V334-Y343 HydrophobicContact CG2-CE2 4.05Å; Y343-G345 VanDerWaalsContact CE1-CA 3.46Å; Y343-G346 PolarHBondContact OH-N 3.45Å
344S81.4Confident75.6Confident82 Ų8272 Ų7257%0.57341%0.412SS*.  trans-92-1.1-177.7520000114.2
345G71.9Confident74.1Confident16 Ų1674.4 Ų74.417%0.16542%0.419CS..  trans74.7159.2-173.300000112.8Y343Y343-G345 VanDerWaalsContact CE1-CA 3.46Å
346G61.7Low73Confident31 Ų3181.2 Ų81.232%0.3245%0.453SS..SBendtrans-69.3173.2162.200000112.5E278 Y343 N348 Y349E278-G346 PolarHBondContact OE1-N 3.17Å; Y343-G346 PolarHBondContact OH-N 3.45Å; G346-N348 PolarHBondContact O-N 3.32Å; G346-Y349 PolarHBondContact O-N 3.48Å
347D48.8Very low72.2Confident175 Ų17581.7 Ų81.794%0.93645%0.454SS*.THydrogen-bonded Turntrans-47.7-18.1-172.8-62-34.2000116.1
348N51.7Low71.3Confident159 Ų15980.8 Ų80.885%0.8546%0.463SS*.THydrogen-bonded Turntrans-90.3-8.5-179.4-67.4-28.6000115.6G346G346-N348 PolarHBondContact O-N 3.32Å
349Y52.7Low70.7Confident112 Ų11284.1 Ų84.144%0.43949%0.486SS..SBendtrans-105.25.9-173.4-76.6-78.9000115.2P246 E278 V282 G346P246-Y349 HydrophobicContact CG-CE1 4.46Å; E278-Y349 HydrophobicContact CG-CE2 3.99Å; V282-Y349 HydrophobicContact CB-CE1 4.48Å; V282-Y349 HydrophobicContact CG1-CD1 3.9Å; V282-Y349 HydrophobicContact CG1-CE1 3.81Å; V282-Y349 HydrophobicContact CG1-CG 4.48Å; V282-Y349 HydrophobicContact CG2-CD1 4.21Å; V282-Y349 HydrophobicContact CG2-CD2 3.83Å; V282-Y349 HydrophobicContact CG2-CE1 4.23Å; V282-Y349 HydrophobicContact CG2-CE2 3.84Å; V282-Y349 HydrophobicContact CG2-CG 4.02Å; G346-Y349 PolarHBondContact O-N 3.48Å
350G46.4Very low70.1Confident50 Ų5085.8 Ų85.852%0.51550%0.497SS..  trans68.4152.5174.900000114.2
351E47.7Very low69.7Low193 Ų19390.4 Ų90.490%0.90252%0.519SS*.  trans-58155.3171.2-77.4-173.2154.200111G353E351-G353 PolarHBondContact O-N 2.84Å
352A49.4Very low69.3Low81 Ų8192.7 Ų92.767%0.66954%0.536SS*.SBendtrans-6653.1179.700000113.8
353G46.8Very low69.1Low51 Ų5188.6 Ų88.653%0.52652%0.517SS..  trans-63.7166.3162.500000111E351 R355E351-G353 PolarHBondContact O-N 2.84Å; G353-R355 PolarHBondContact O-N 3.11Å
354H51.3Low67.8Low194 Ų19491.9 Ų91.990%0.89854%0.538SS*.  trans-46.7101.8-177-75.3-65.2000112.4I356H354-I356 PolarHBondContact O-N 2.81Å
355R66.1Low67.1Low76 Ų7692.4 Ų92.429%0.28754%0.537SS..  trans-68.2119.9174.7-66-172-172.7171.86.2109E247 N285 N289 G353 F357E247-R355 HydrophobicContact CG-CB 4.07Å; N285-R355 PolarHBondContact ND2-NH1 2.89Å; N285-R355 PolarHBondContact ND2-NH2 3.47Å; N289-R355 PolarHBondContact ND2-NH1 3.24Å; G353-R355 PolarHBondContact O-N 3.11Å; R355-F357 HydrophobicContact CB-CD2 4.21Å; R355-F357 HydrophobicContact CB-CE2 3.64Å; R355-F357 HydrophobicContact CB-CZ 4.36Å
356I76.1Confident66.8Low142 Ų14296.6 Ų96.673%0.72856%0.557SS**  trans-94.5108.6-177.9-56.9176.7000108.1H354H354-I356 PolarHBondContact O-N 2.81Å
357F81.8Confident67.1Low23 Ų23100.5 Ų100.510%0.10157%0.571CS.*  trans-90.81.3-179.4-75-91.8000114.4E247 A250 M251 N289 C290 P291 R355E247-F357 HydrophobicContact CB-CD1 3.71Å; E247-F357 HydrophobicContact CB-CE1 3.88Å; E247-F357 HydrophobicContact CB-CG 4.14Å; E247-F357 HydrophobicContact CB-CZ 4.45Å; E247-F357 HydrophobicContact CG-CD1 4.12Å; E247-F357 HydrophobicContact CG-CD2 4.37Å; E247-F357 HydrophobicContact CG-CE1 3.95Å; E247-F357 HydrophobicContact CG-CE2 4.23Å; E247-F357 HydrophobicContact CG-CG 4.33Å; E247-F357 HydrophobicContact CG-CZ 4.01Å; A250-F357 HydrophobicContact CB-CE1 3.93Å; M251-F357 HydrophobicContact CE-CB 3.7Å; M251-F357 HydrophobicContact CE-CD1 4.35Å; M251-F357 HydrophobicContact CE-CG 4.4Å; N289-F357 HydrophobicContact CB-CZ 4.2Å; C290-F357 HydrophobicContact CB-CD1 4.38Å; C290-F357 HydrophobicContact CB-CE1 3.92Å; C290-F357 HydrophobicContact CB-CZ 4.46Å; P291-F357 HydrophobicContact CG-CB 4.3Å; P291-F357 HydrophobicContact CG-CD2 4.25Å; P291-F357 HydrophobicContact CG-CG 4.28Å; R355-F357 HydrophobicContact CB-CD2 4.21Å; R355-F357 HydrophobicContact CB-CE2 3.64Å; R355-F357 HydrophobicContact CB-CZ 4.36Å
358G78.9Confident68.3Low56 Ų5695.8 Ų95.858%0.57755%0.548SS*.  trans62.8-170.3-17600000113.7
359S86.4Confident69.4Low70 Ų7091.6 Ų91.649%0.4953%0.528SS..  trans-81.2126.4175.9177.80000110.8H361 A362 Y363S359-H361 PolarHBondContact O-N 3.2Å; S359-H361 PolarHBondContact OG-N 3.21Å; S359-A362 PolarHBondContact O-N 3.48Å; S359-Y363 WeakPolarHBondContact O-CD2 3.32Å; S359-Y363 WeakPolarHBondContact O-CE2 3.2Å
360C85.9Confident70.6Confident46 Ų4690.1 Ų90.131%0.31154%0.535SS..G310 helixtrans-66.7-14.317764.50000113.6M251 L292 A362 Y363M251-C360 HydrophobicContact CE-CB 4.26Å; M251-C360 HydrophobicContact SD-CB 3.75Å; L292-C360 HydrophobicContact CD2-CB 4.26Å; C360-A362 PolarHBondContact O-N 2.94Å; C360-Y363 PolarHBondContact O-N 3.02Å
361H90.8Very high72.4Confident171 Ų17193.2 Ų93.279%0.79254%0.536SS*.G310 helixtrans-75.1-9.2178-57.6-60.9000113.8S359 Y363S359-H361 PolarHBondContact O-N 3.2Å; S359-H361 PolarHBondContact OG-N 3.21Å; H361-Y363 VanDerWaalsContact C-N 3.32Å
362A88.2Confident74.5Confident60 Ų6084.9 Ų84.950%0.49651%0.506SS..G310 helixtrans-85.7-4.2176.700000114S359 C360S359-A362 PolarHBondContact O-N 3.48Å; C360-A362 PolarHBondContact O-N 2.94Å
363Y92.1Very high76.8Confident49 Ų4985.3 Ų85.319%0.19249%0.491CS..  trans-115.60-173.6-61.3-93.4000110.8L199 Q203 E248 M251 A252 R259 S359 C360 H361L199-Y363 HydrophobicContact CD2-CE1 4.32Å; Q203-Y363 PolarHBondContact NE2-OXT 3.3Å; Q203-Y363 PolarHBondContact OE1-OXT 3.5Å; E248-Y363 WeakPolarHBondContact CG-OH 3.46Å; M251-Y363 HydrophobicContact CB-CD1 4.48Å; M251-Y363 HydrophobicContact CB-CD2 4.45Å; M251-Y363 HydrophobicContact CB-CE1 4.22Å; M251-Y363 HydrophobicContact CB-CE2 4.19Å; M251-Y363 HydrophobicContact CG-CD1 4.14Å; M251-Y363 HydrophobicContact CG-CD2 3.44Å; M251-Y363 VanDerWaalsContact CG-CD2 3.44Å; M251-Y363 HydrophobicContact CG-CE1 4.19Å; M251-Y363 HydrophobicContact CG-CE2 3.51Å; M251-Y363 HydrophobicContact CG-CG 3.78Å; A252-Y363 HydrophobicContact CB-CD1 3.88Å; A252-Y363 HydrophobicContact CB-CE1 4.21Å; R259-Y363 PolarHBondContact NH1-O 2.68Å; R259-Y363 PolarHBondContact NH1-OXT 2.74Å; R259-Y363 PolarHBondContact NH2-O 3.41Å; S359-Y363 WeakPolarHBondContact O-CD2 3.32Å; S359-Y363 WeakPolarHBondContact O-CE2 3.2Å; C360-Y363 PolarHBondContact O-N 3.02Å; H361-Y363 VanDerWaalsContact C-N 3.32Å

Retrieved 363 of 363 residues in 1519.7 ms (Link to these results)

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